data_r4n85sf
# 
_audit.revision_id    1_0
_audit.creation_date  2014-02-19
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4n85 
_cell.length_a      42.8800 
_cell.length_b      85.1100 
_cell.length_c      65.3200 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.94070 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.600 
_diffrn_reflns.pdbx_d_res_low    85.110 
_diffrn_reflns.limit_h_max       26 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       53 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       0 
_diffrn_reflns.limit_l_min       -40 
_diffrn_reflns.number            32347 
_diffrn_reflns.pdbx_number_obs   30282 
# 
_entry.id   4n85 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4n85 
_symmetry.space_group_name_H-M   'P 21 21 2' 
_symmetry.Int_Tables_number      18 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'           
2 '-X,  -Y,  Z'         
3 'X+1/2,  -Y+1/2,  -Z' 
4 '-X+1/2,  Y+1/2,  -Z' 
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.intensity_meas
_refln.intensity_sigma
_refln.pdbx_I_plus
_refln.pdbx_I_plus_sigma
_refln.pdbx_I_minus
_refln.pdbx_I_minus_sigma
_refln.pdbx_F_plus
_refln.pdbx_F_plus_sigma
_refln.pdbx_F_minus
_refln.pdbx_F_minus_sigma
_refln.pdbx_anom_difference
_refln.pdbx_anom_difference_sigma
1 1 1    0    1    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    6    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    9    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   10    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   11    0 -  ?   ?  -152.9637   33.801 -152.9637   33.801   0.0000   0.0000  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    0   12    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   13    0 -   3.4196   2.5300 -137.0585   39.839 -137.0585   39.839   0.0000   0.0000   3.4196   2.5300   3.4196   2.5300 0.000000 0.000000 
1 1 1    0   14    0 o  543.803   3.4947 85413.70  1097.49 85413.70  1097.49   0.0000   0.0000  543.803   3.4947  543.803   3.4947 0.000000 0.000000 
1 1 1    0   15    0 -   3.4254   2.5138 -90.0121   33.010 -90.0121   33.010   0.0000   0.0000   3.4254   2.5138   3.4254   2.5138 0.000000 0.000000 
1 1 1    0   16    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   17    0 -   4.4765   3.2686 -123.1623   51.169 -123.1623   51.169   0.0000   0.0000   4.4765   3.2686   4.4765   3.2686 0.000000 0.000000 
1 1 1    0   18    0 o  182.253   2.0670  9595.73  217.512  9595.73  217.512   0.0000   0.0000  182.253   2.0670  182.253   2.0670 0.000000 0.000000 
1 1 1    0   19    0 -  ?   ?  -209.3636   55.967 -209.3636   55.967   0.0000   0.0000  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    0   20    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   21    0 -  ?   ?  -362.3409   69.968 -362.3409   69.968   0.0000   0.0000  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    0   22    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   23    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   24    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   25    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   26    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   27    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   28    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   29    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   30    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   31    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   32    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   33    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   34    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   35    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   36    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   37    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   38    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   39    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   40    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   41    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   42    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   43    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   44    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   45    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2   -1 o   22.193   1.5653  157.149   15.156   64.241   20.644  265.761   22.321   14.130   2.8558   30.255   1.2826 -0.000000 0.000000 
1 1 1    0    3   -1 o   39.230   1.2299  478.491   24.533  731.349   34.965  233.281   34.432   50.281   1.2056   28.180   2.1442 -0.000000 0.000000 
1 1 1    0    4   -1 f  145.391   1.3472  6110.32  113.019  6204.77  157.993  6011.34  161.739  146.545   1.8674  144.238   1.9423 -0.000000 0.000000 
1 1 1    0    5   -1 o  246.295   1.7942 17517.87  254.584 17431.02  348.145 17617.68  373.236  245.642   2.4545  246.948   2.6176 -0.000000 0.000000 
1 1 1    0    6   -1 o  157.010   1.3523  7117.37  122.515  6985.62  169.801  7260.42  176.943  155.496   1.8914  158.524   1.9333 -0.000000 0.000000 
1 1 1    0    7   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8   -1 o  223.750   1.7323 14453.32  223.116 14336.56  303.292 14591.02  329.389  222.770   2.3579  224.731   2.5385 -0.000000 0.000000 
1 1 1    0    9   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   10   -1 o   64.008   1.2281  1190.17   45.009  1358.06   63.932  1025.19   63.375   68.519   1.6176   59.496   1.8484 -0.000000 0.000000 
1 1 1    0   11   -1 f  238.104   1.8219 16398.95  249.540 16623.94  339.828 16135.66  367.612  239.884   2.4534  236.324   2.6942 -0.000000 0.000000 
1 1 1    0   12   -1 o  142.506   1.3393  5868.11  110.105  5875.16  152.813  5860.49  158.781  142.597   1.8562  142.416   1.9312 -0.000000 0.000000 
1 1 1    0   13   -1 o  226.602   1.7174 14836.28  223.942 14857.30  304.541 14811.53  330.445  226.781   2.3257  226.423   2.5276 -0.000000 0.000000 
1 1 1    0   14   -1 o  315.894   3.3760 28830.42  615.765   0.0000   0.0000 28830.42  615.765  315.894   3.3760  315.894   3.3760 -0.000000 0.000000 
1 1 1    0   15   -1 o  600.221   3.8666 104023.60  1336.58 103124.60  1821.41 105072.50  1967.45  597.424   5.2798  603.018   5.6503 -0.000000 0.000000 
1 1 1    0   16   -1 f  306.727   2.1890 27206.69  384.126 27386.68  510.710 26972.22  582.891  307.905   2.8725  305.549   3.3040 -0.000000 0.000000 
1 1 1    0   17   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   18   -1 o  181.829   1.5479  9576.97  161.661  9826.89  219.498  9280.69  238.991  184.434   2.0612  179.223   2.3097 -0.000000 0.000000 
1 1 1    0   19   -1 o  480.999   4.7648 66841.87  1323.35   0.0000   0.0000 66841.87  1323.35  480.999   4.7648  480.999   4.7648 -0.000000 0.000000 
1 1 1    0   20   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   21   -1 o  229.597   2.7829 15230.34  368.897   0.0000   0.0000 15230.34  368.897  229.597   2.7829  229.597   2.7829 -0.000000 0.000000 
1 1 1    0   22   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   23   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   24   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   25   -1 o  211.974   1.7925 12978.82  219.408   0.0000   0.0000 12978.82  219.408  211.974   1.7925  211.974   1.7925 -0.000000 0.000000 
1 1 1    0   26   -1 o  157.423   1.6031  7158.95  145.716   0.0000   0.0000  7158.95  145.716  157.423   1.6031  157.423   1.6031 -0.000000 0.000000 
1 1 1    0   27   -1 o  446.579   4.1465 57627.59  1069.25   0.0000   0.0000 57627.59  1069.25  446.579   4.1465  446.579   4.1465 -0.000000 0.000000 
1 1 1    0   28   -1 o  227.199   2.5337 14914.35  332.375   0.0000   0.0000 14914.35  332.375  227.199   2.5337  227.199   2.5337 -0.000000 0.000000 
1 1 1    0   29   -1 o  509.603   4.4325 75058.30  1304.34   0.0000   0.0000 75058.30  1304.34  509.603   4.4325  509.603   4.4325 -0.000000 0.000000 
1 1 1    0   30   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   31   -1 o  342.246   2.3002 33837.77  454.609   0.0000   0.0000 33837.77  454.609  342.246   2.3002  342.246   2.3002 -0.000000 0.000000 
1 1 1    0   32   -1 o  168.937   1.6039  8244.89  156.456   0.0000   0.0000  8244.89  156.456  168.937   1.6039  168.937   1.6039 -0.000000 0.000000 
1 1 1    0   33   -1 o   11.892   7.6555   0.6485  120.970   0.0000   0.0000   0.6485  120.970   11.892   7.6555   11.892   7.6555 -0.000000 0.000000 
1 1 1    0   34   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   35   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   36   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   37   -1 o  177.724   2.2577  9130.10  231.658   0.0000   0.0000  9130.10  231.658  177.724   2.2577  177.724   2.2577 -0.000000 0.000000 
1 1 1    0   38   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   39   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   40   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   41   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   42   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   43   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   44   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   45   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   -2 o  184.067   2.0357  9787.58  216.347   0.0000   0.0000  9787.58  216.347  184.067   2.0357  184.067   2.0357 -0.000000 0.000000 
1 1 1    0    1   -2 o   26.398   1.2502  206.103   18.595  220.629   24.947  187.941   27.895   27.505   1.5824   25.291   1.9359 -0.000000 0.000000 
1 1 1    0    2   -2 o  539.592   4.7787 84121.80  1488.95   0.0000   0.0000 84121.80  1488.95  539.592   4.7787  539.592   4.7787 -0.000000 0.000000 
1 1 1    0    3   -2 o  108.999   1.0046  3404.38   59.572  3516.69  104.094  3349.69   72.644  110.316   1.6346  107.682   1.1684 -0.000000 0.000000 
1 1 1    0    4   -2 o  435.960   2.8855 54915.63  725.042 54819.19  1057.63 55001.14  995.882  435.592   4.2049  436.328   3.9527 -0.000000 0.000000 
1 1 1    0    5   -2 o  204.761   1.5786 12105.26  186.470 12275.35  270.184 11950.56  257.677  206.132   2.2701  203.389   2.1942 -0.000000 0.000000 
1 1 1    0    6   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7   -2 o  202.331   1.6375 11822.01  191.172 11687.91  265.081 11967.35  275.963  201.137   2.2826  203.526   2.3484 -0.000000 0.000000 
1 1 1    0    8   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    9   -2 o  161.251   1.4230  7529.40  131.990  7737.17  180.617  7291.27  193.359  163.649   1.9116  158.853   2.1084 -0.000000 0.000000 
1 1 1    0   10   -2 o  305.274   2.1424 26942.94  376.418 27182.90  513.395 26663.99  553.540  306.751   2.8985  303.797   3.1556 -0.000000 0.000000 
1 1 1    0   11   -2 o  187.186   1.5251 10131.91  164.535 10287.66  227.006  9959.53  238.818  188.707   2.0835  185.666   2.2279 -0.000000 0.000000 
1 1 1    0   12   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   13   -2 o  403.333   2.8071 46947.78  650.958 46443.93  878.639 47560.84  969.198  400.945   3.7951  405.721   4.1372 -0.000000 0.000000 
1 1 1    0   14   -2 o  368.406   2.5417 39183.20  539.443 38817.13  736.714 39606.35  792.065  366.557   3.4806  370.255   3.7049 -0.000000 0.000000 
1 1 1    0   15   -2 o  577.511   3.8151 96303.91  1270.99 95001.17  1753.90 97744.58  1844.42  573.406   5.2971  581.616   5.4919 -0.000000 0.000000 
1 1 1    0   16   -2 o  230.486   1.7890 15378.93  237.183 15758.12  324.087 14941.60  348.047  233.557   2.4032  227.414   2.6507 -0.000000 0.000000 
1 1 1    0   17   -2 o  480.412   3.3017 66686.27  910.578 66747.98  1223.87 66609.75  1362.81  480.674   4.4094  480.151   4.9156 -0.000000 0.000000 
1 1 1    0   18   -2 f  1060.85   9.7883 325316.91  5996.04   0.0000   0.0000 325316.91  5996.04  1060.85   9.7883  1060.85   9.7883 -0.000000 0.000000 
1 1 1    0   19   -2 o  431.939   2.9205 54061.72  720.881 55094.33  958.325 52715.86  1094.07  436.719   3.8001  427.159   4.4358 -0.000000 0.000000 
1 1 1    0   20   -2 o  342.509   2.3684 33936.23  466.463 34434.73  634.118 33348.39  688.601  345.261   3.1807  339.757   3.5101 -0.000000 0.000000 
1 1 1    0   21   -2 o  416.991   2.9480 50103.05  698.728 49502.16  908.595 50972.75  1093.09  413.954   3.8012  420.027   4.5072 -0.000000 0.000000 
1 1 1    0   22   -2 o  200.747   1.6848 11600.70  194.697 11129.05  263.455 12168.25  289.000  196.268   2.3249  205.226   2.4390 -0.000000 0.000000 
1 1 1    0   23   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   24   -2 o   39.915   6.3643  494.000  135.536   0.0000   0.0000  494.000  135.536   39.915   6.3643   39.915   6.3643 -0.000000 0.000000 
1 1 1    0   25   -2 o  369.133   3.6077 39367.02  768.958   0.0000   0.0000 39367.02  768.958  369.133   3.6077  369.133   3.6077 -0.000000 0.000000 
1 1 1    0   26   -2 o  575.037   5.2955 95561.83  1758.37   0.0000   0.0000 95561.83  1758.37  575.037   5.2955  575.037   5.2955 -0.000000 0.000000 
1 1 1    0   27   -2 o  162.872   1.6416  7663.16  154.385   0.0000   0.0000  7663.16  154.385  162.872   1.6416  162.872   1.6416 -0.000000 0.000000 
1 1 1    0   28   -2 o  141.239   1.7227  5763.58  140.480   0.0000   0.0000  5763.58  140.480  141.239   1.7227  141.239   1.7227 -0.000000 0.000000 
1 1 1    0   29   -2 o  105.126   1.8309  3194.59  111.087   0.0000   0.0000  3194.59  111.087  105.126   1.8309  105.126   1.8309 -0.000000 0.000000 
1 1 1    0   30   -2 o  459.641   3.0046 61039.03  797.525   0.0000   0.0000 61039.03  797.525  459.641   3.0046  459.641   3.0046 -0.000000 0.000000 
1 1 1    0   31   -2 o   64.467   3.3296  1210.34  123.213   0.0000   0.0000  1210.34  123.213   64.467   3.3296   64.467   3.3296 -0.000000 0.000000 
1 1 1    0   32   -2 o  150.388   1.6997  6534.66  147.585   0.0000   0.0000  6534.66  147.585  150.388   1.6997  150.388   1.6997 -0.000000 0.000000 
1 1 1    0   33   -2 o  405.568   2.7474 47530.18  643.477   0.0000   0.0000 47530.18  643.477  405.568   2.7474  405.568   2.7474 -0.000000 0.000000 
1 1 1    0   34   -2 o  282.246   2.0280 23015.55  330.549   0.0000   0.0000 23015.55  330.549  282.246   2.0280  282.246   2.0280 -0.000000 0.000000 
1 1 1    0   35   -2 o  361.332   3.3022 37748.65  688.987   0.0000   0.0000 37748.65  688.987  361.332   3.3022  361.332   3.3022 -0.000000 0.000000 
1 1 1    0   36   -2 o   79.791   2.9479  1847.54  135.428   0.0000   0.0000  1847.54  135.428   79.791   2.9479   79.791   2.9479 -0.000000 0.000000 
1 1 1    0   37   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   38   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   39   -2 f  186.874   2.3646 10095.74  255.117   0.0000   0.0000 10095.74  255.117  186.874   2.3646  186.874   2.3646 -0.000000 0.000000 
1 1 1    0   40   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   41   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   42   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   43   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   44   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   45   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   -3 o   23.308   2.4436  192.012   23.222  303.818   32.459   74.789   33.236   32.294   1.7521   14.322   4.5622 -0.000000 0.000000 
1 1 1    0    1   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2   -3 o   21.119   1.5074  131.889   17.018  135.277   28.961  130.103   21.032   21.231   2.4463   21.007   1.7621 -0.000000 0.000000 
1 1 1    0    3   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4   -3 o  133.761   1.0621  5160.19   77.883  5196.25  133.190  5141.45   96.008  134.107   1.7203  133.415   1.2462 -0.000000 0.000000 
1 1 1    0    5   -3 o  461.881   2.9358 61636.59  782.955 61299.63  1111.64 61968.30  1102.94  460.627   4.1794  463.136   4.1242 -0.000000 0.000000 
1 1 1    0    6   -3 o  122.181   1.2338  4313.13   87.011  4406.74  123.747  4221.60  122.370  123.493   1.7358  120.869   1.7538 -0.000000 0.000000 
1 1 1    0    7   -3 o  395.232   2.7247 45100.77  618.778 45426.23  923.289 44835.38  833.718  396.516   4.0327  393.947   3.6651 -0.000000 0.000000 
1 1 1    0    8   -3 o  124.258   1.2835  4462.70   92.044  4404.37  131.065  4519.46  129.292  123.455   1.8391  125.061   1.7909 -0.000000 0.000000 
1 1 1    0    9   -3 o  335.175   2.3421 32465.19  452.635 32276.04  656.938 32636.14  624.537  334.241   3.4039  336.109   3.2180 -0.000000 0.000000 
1 1 1    0   10   -3 o  219.908   1.6361 13974.22  207.659 14458.46  293.840 13491.08  293.509  223.717   2.2747  216.098   2.3523 -0.000000 0.000000 
1 1 1    0   11   -3 o  734.148   4.6934 155778.41  1989.60 154017.80  2807.67 157554.20  2819.79  729.978   6.6609  738.317   6.6140 -0.000000 0.000000 
1 1 1    0   12   -3 o  156.568   1.4076  7082.54  127.227  7094.57  180.803  7070.74  179.063  156.699   1.9985  156.436   1.9826 -0.000000 0.000000 
1 1 1    0   13   -3 o  813.609   5.0524 191299.09  2373.32 189460.09  3321.67 193217.20  3392.21  809.618   7.1050  817.600   7.1851 -0.000000 0.000000 
1 1 1    0   14   -3 o  358.017   2.4079 37033.83  497.712 36694.79  708.177 37364.75  699.643  356.396   3.4412  359.638   3.3691 -0.000000 0.000000 
1 1 1    0   15   -3 o  410.325   2.6842 48640.52  635.961 48762.41  897.029 48517.36  901.758  410.843   3.7812  409.808   3.8107 -0.000000 0.000000 
1 1 1    0   16   -3 o  296.446   2.0784 25386.43  355.762 25439.75  505.457 25334.09  500.821  296.754   2.9498  296.138   2.9289 -0.000000 0.000000 
1 1 1    0   17   -3 o  435.923   2.8378 54915.95  713.997 55697.74  999.376 54100.84  1020.44  439.097   3.9415  432.749   4.0837 -0.000000 0.000000 
1 1 1    0   18   -3 o  602.810   3.8819 104989.90  1351.16 104061.90  1913.70 105912.40  1907.97  600.151   5.5222  605.468   5.4573 -0.000000 0.000000 
1 1 1    0   19   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   20   -3 o  249.467   1.8412 17978.30  265.211 18017.51  375.051 17939.09  375.079  249.739   2.6009  249.195   2.6068 -0.000000 0.000000 
1 1 1    0   21   -3 o  335.779   2.3283 32555.91  451.313 31841.31  630.103 33308.71  646.727  331.996   3.2869  339.562   3.2984 -0.000000 0.000000 
1 1 1    0   22   -3 o  348.811   2.3242 35118.90  467.856 34335.88  648.395 35969.39  675.750  344.758   3.2571  352.864   3.3165 -0.000000 0.000000 
1 1 1    0   23   -3 o  523.005   4.6107 79026.98  1392.45 79026.98  1392.45   0.0000   0.0000  523.005   4.6107  523.005   4.6107 -0.000000 0.000000 
1 1 1    0   24   -3 o  244.806   2.5901 17313.46  366.118 17313.46  366.118   0.0000   0.0000  244.806   2.5901  244.806   2.5901 -0.000000 0.000000 
1 1 1    0   25   -3 f  486.491   3.1835 68404.81  893.626 68949.30  1242.57 67821.49  1286.11  488.503   4.4050  484.478   4.5973 -0.000000 0.000000 
1 1 1    0   26   -3 o  603.975   3.7952 105429.40  1323.34 105732.90  1854.06 105114.30  1889.41  604.867   5.3083  603.084   5.4255 -0.000000 0.000000 
1 1 1    0   27   -3 o  217.439   2.6455 13661.42  332.108   0.0000   0.0000 13661.42  332.108  217.439   2.6455  217.439   2.6455 -0.000000 0.000000 
1 1 1    0   28   -3 o  257.772   2.8180 19199.14  419.417   0.0000   0.0000 19199.14  419.417  257.772   2.8180  257.772   2.8180 -0.000000 0.000000 
1 1 1    0   29   -3 o  227.312   2.6682 14930.85  350.177   0.0000   0.0000 14930.85  350.177  227.312   2.6682  227.312   2.6682 -0.000000 0.000000 
1 1 1    0   30   -3 o  257.853   2.8405 19213.44  422.896   0.0000   0.0000 19213.44  422.896  257.853   2.8405  257.853   2.8405 -0.000000 0.000000 
1 1 1    0   31   -3 o  332.616   2.3440 31961.37  450.229   0.0000   0.0000 31961.37  450.229  332.616   2.3440  332.616   2.3440 -0.000000 0.000000 
1 1 1    0   32   -3 o  295.263   2.1622 25186.30  368.677   0.0000   0.0000 25186.30  368.677  295.263   2.1622  295.263   2.1622 -0.000000 0.000000 
1 1 1    0   33   -3 o  121.030   1.8186  4233.83  127.053   0.0000   0.0000  4233.83  127.053  121.030   1.8186  121.030   1.8186 -0.000000 0.000000 
1 1 1    0   34   -3 o   50.044   3.4953  734.451   99.892   0.0000   0.0000  734.451   99.892   50.044   3.4953   50.044   3.4953 -0.000000 0.000000 
1 1 1    0   35   -3 o   78.526   3.1948  1791.14  144.348   0.0000   0.0000  1791.14  144.348   78.526   3.1948   78.526   3.1948 -0.000000 0.000000 
1 1 1    0   36   -3 o  187.872   1.8169 10198.53  197.103   0.0000   0.0000 10198.53  197.103  187.872   1.8169  187.872   1.8169 -0.000000 0.000000 
1 1 1    0   37   -3 o  338.671   2.4027 33145.45  469.908   0.0000   0.0000 33145.45  469.908  338.671   2.4027  338.671   2.4027 -0.000000 0.000000 
1 1 1    0   38   -3 o   62.902   3.0723  1151.86  111.006   0.0000   0.0000  1151.86  111.006   62.902   3.0723   62.902   3.0723 -0.000000 0.000000 
1 1 1    0   39   -3 f   49.599   3.9329  724.937  111.030   0.0000   0.0000  724.937  111.030   49.599   3.9329   49.599   3.9329 -0.000000 0.000000 
1 1 1    0   40   -3 o  445.223   3.9578 57370.68  1017.50   0.0000   0.0000 57370.68  1017.50  445.223   3.9578  445.223   3.9578 -0.000000 0.000000 
1 1 1    0   41   -3 o  103.662   2.9773  3114.89  177.915   0.0000   0.0000  3114.89  177.915  103.662   2.9773  103.662   2.9773 -0.000000 0.000000 
1 1 1    0   42   -3 o   46.664   5.9014  661.951  152.125   0.0000   0.0000  661.951  152.125   46.664   5.9014   46.664   5.9014 -0.000000 0.000000 
1 1 1    0   43   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   44   -3 o  171.270   2.6038  8492.38  257.419   0.0000   0.0000  8492.38  257.419  171.270   2.6038  171.270   2.6038 -0.000000 0.000000 
1 1 1    0   45   -3 o   7.6428   5.6483 -629.2579  193.041   0.0000   0.0000 -629.2579  193.041   7.6428   5.6483   7.6428   5.6483 -0.000000 0.000000 
1 1 1    0   46   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   -4 o  387.376   2.5211 43340.07  563.792 43020.49  787.469 43676.16  807.556  385.912   3.5338  388.840   3.5967 -0.000000 0.000000 
1 1 1    0    1   -4 o   48.821   1.2599  690.640   35.363  698.221   51.561  683.907   48.593   49.069   1.8251   48.572   1.7373 -0.000000 0.000000 
1 1 1    0    2   -4 o  495.334   2.2689 70874.83  648.948 71217.20  911.894 70523.55  923.722  496.547   3.1801  494.120   3.2372 -0.000000 0.000000 
1 1 1    0    3   -4 o  153.678   1.1434  6825.59   95.637  6812.72  165.617  6832.03  117.142  153.559   1.8681  153.796   1.3190 -0.000000 0.000000 
1 1 1    0    4   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5   -4 o  164.241   1.1818  7786.53  106.423  7810.83  181.776  7773.85  131.274  164.427   1.9147  164.055   1.3857 -0.000000 0.000000 
1 1 1    0    6   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7   -4 o   50.424   1.5608  746.680   44.701  812.818   60.608  667.791   66.194   52.941   1.9886   47.906   2.4063 -0.000000 0.000000 
1 1 1    0    8   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    9   -4 o  118.744   1.2963  4074.62   88.848  4107.73  126.125  4042.01  125.181  119.223   1.8327  118.264   1.8337 -0.000000 0.000000 
1 1 1    0   10   -4 o  763.612   6.8819 168543.50  3034.50   0.0000   0.0000 168543.50  3034.50  763.612   6.8819  763.612   6.8819 -0.000000 0.000000 
1 1 1    0   11   -4 o  479.165   3.2094 66310.13  886.244 66809.62  1296.66 65872.22  1214.09  480.850   4.6701  477.480   4.4034 -0.000000 0.000000 
1 1 1    0   12   -4 o  301.866   2.0685 26317.27  360.470 26661.71  516.128 25989.26  503.663  303.793   2.9423  299.938   2.9081 -0.000000 0.000000 
1 1 1    0   13   -4 o   37.930   2.4708  420.755   52.667  468.591   80.818  385.445   69.435   39.803   3.5824   36.058   3.4039 -0.000000 0.000000 
1 1 1    0   14   -4 o  288.192   2.0274 23993.96  337.364 24086.02  475.774 23900.87  478.446  288.749   2.8536  287.636   2.8807 -0.000000 0.000000 
1 1 1    0   15   -4 o   75.273   1.5907  1659.94   68.171  1465.74  100.479  1825.59   92.797   71.116   2.4530   79.431   2.0258 -0.000000 0.000000 
1 1 1    0   16   -4 o  296.201   2.0759 25344.98  355.042 25484.65  502.106 25205.32  502.105  297.017   2.9277  295.384   2.9439 -0.000000 0.000000 
1 1 1    0   17   -4 o  394.878   2.6101 45042.64  595.030 44942.65  833.410 45146.61  849.828  394.432   3.6592  395.323   3.7229 -0.000000 0.000000 
1 1 1    0   18   -4 o  756.399   4.7864 165322.09  2090.09 165098.09  2986.99 165537.00  2925.64  755.892   6.8433  756.906   6.6938 -0.000000 0.000000 
1 1 1    0   19   -4 o  1177.07   7.2171 400473.31  4904.63 402621.09  7007.78 398411.09  6866.75  1180.15   10.283  1173.98   10.129 -0.000000 0.000000 
1 1 1    0   20   -4 o  733.332   4.6234 155364.80  1957.67 157708.00  2787.55 153084.50  2749.96  738.789   6.5342  727.875   6.5428 -0.000000 0.000000 
1 1 1    0   21   -4 o  170.894   1.6218  8440.50  159.938  8357.45  228.750  8519.94  223.708  170.069   2.3299  171.719   2.2566 -0.000000 0.000000 
1 1 1    0   22   -4 o  1245.50   7.7916 448350.69  5601.96 435596.50  7807.50 461884.19  8042.46  1227.26   11.017  1263.75   11.021 -0.000000 0.000000 
1 1 1    0   23   -4 o  130.991   2.3322  4959.98  176.316  4959.98  176.316   0.0000   0.0000  130.991   2.3322  130.991   2.3322 -0.000000 0.000000 
1 1 1    0   24   -4 o  172.273   2.4035  8575.90  239.032  8575.90  239.032   0.0000   0.0000  172.273   2.4035  172.273   2.4035 -0.000000 0.000000 
1 1 1    0   25   -4 o  489.737   3.1628 69300.41  894.418 69502.71  1265.13 69098.25  1264.66  490.453   4.4672  489.022   4.4786 -0.000000 0.000000 
1 1 1    0   26   -4 o  340.227   2.3778 33506.98  466.000 34545.86  643.340 32360.25  675.914  345.795   3.2220  334.660   3.4979 -0.000000 0.000000 
1 1 1    0   27   -4 o  511.271   4.6619 75543.43  1376.33   0.0000   0.0000 75543.43  1376.33  511.271   4.6619  511.271   4.6619 -0.000000 0.000000 
1 1 1    0   28   -4 o  132.623   2.7991  5087.12  214.182   0.0000   0.0000  5087.12  214.182  132.623   2.7991  132.623   2.7991 -0.000000 0.000000 
1 1 1    0   29   -4 o  293.904   2.1348 24956.24  362.239 25478.79  515.558 24446.75  509.070  296.944   3.0069  290.865   3.0312 -0.000000 0.000000 
1 1 1    0   30   -4 o  122.256   2.0626  4334.57  145.077  4159.35  210.133  4494.16  200.541  119.875   3.0396  124.637   2.7891 -0.000000 0.000000 
1 1 1    0   31   -4 o  274.095   2.9114 21711.80  460.755   0.0000   0.0000 21711.80  460.755  274.095   2.9114  274.095   2.9114 -0.000000 0.000000 
1 1 1    0   32   -4 o  184.150   2.6006  9802.62  276.459   0.0000   0.0000  9802.62  276.459  184.150   2.6006  184.150   2.6006 -0.000000 0.000000 
1 1 1    0   33   -4 o  166.505   2.6038  8015.71  250.249   0.0000   0.0000  8015.71  250.249  166.505   2.6038  166.505   2.6038 -0.000000 0.000000 
1 1 1    0   34   -4 o  249.383   2.7703 17977.41  398.899   0.0000   0.0000 17977.41  398.899  249.383   2.7703  249.383   2.7703 -0.000000 0.000000 
1 1 1    0   35   -4 o  504.845   4.7298 73769.71  1378.79   0.0000   0.0000 73769.71  1378.79  504.845   4.7298  504.845   4.7298 -0.000000 0.000000 
1 1 1    0   36   -4 f   9.9943   7.0688 -208.5639  166.937   0.0000   0.0000 -208.5639  166.937   9.9943   7.0688   9.9943   7.0688 -0.000000 0.000000 
1 1 1    0   37   -4 o  126.673   1.9684  4638.78  143.925   0.0000   0.0000  4638.78  143.925  126.673   1.9684  126.673   1.9684 -0.000000 0.000000 
1 1 1    0   38   -4 o  163.789   1.8522  7752.65  175.160   0.0000   0.0000  7752.65  175.160  163.789   1.8522  163.789   1.8522 -0.000000 0.000000 
1 1 1    0   39   -4 o  171.579   1.8708  8507.72  185.332   0.0000   0.0000  8507.72  185.332  171.579   1.8708  171.579   1.8708 -0.000000 0.000000 
1 1 1    0   40   -4 o  394.121   2.7208 44905.41  619.255   0.0000   0.0000 44905.41  619.255  394.121   2.7208  394.121   2.7208 -0.000000 0.000000 
1 1 1    0   41   -4 o  120.300   2.1715  4186.21  150.759   0.0000   0.0000  4186.21  150.759  120.300   2.1715  120.300   2.1715 -0.000000 0.000000 
1 1 1    0   42   -4 o  110.552   3.0906  3543.71  196.984   0.0000   0.0000  3543.71  196.984  110.552   3.0906  110.552   3.0906 -0.000000 0.000000 
1 1 1    0   43   -4 f   69.177   2.9820  1392.34  118.636   0.0000   0.0000  1392.34  118.636   69.177   2.9820   69.177   2.9820 -0.000000 0.000000 
1 1 1    0   44   -4 o   51.450   3.7680  779.654  110.584   0.0000   0.0000  779.654  110.584   51.450   3.7680   51.450   3.7680 -0.000000 0.000000 
1 1 1    0   45   -4 o   55.348   3.7246  901.004  117.824   0.0000   0.0000  901.004  117.824   55.348   3.7246   55.348   3.7246 -0.000000 0.000000 
1 1 1    0   46   -4 o   33.670   6.4612  366.473  112.262   0.0000   0.0000  366.473  112.262   33.670   6.4612   33.670   6.4612 -0.000000 0.000000 
1 1 1    0   47   -4 o   67.961   3.2137  1351.04  125.496   0.0000   0.0000  1351.04  125.496   67.961   3.2137   67.961   3.2137 -0.000000 0.000000 
1 1 1    0   48   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   -4 o   58.474   6.8548  1067.08  223.172   0.0000   0.0000  1067.08  223.172   58.474   6.8548   58.474   6.8548 -0.000000 0.000000 
1 1 1    0   50   -4 o   67.999   6.2741  1421.26  241.577   0.0000   0.0000  1421.26  241.577   67.999   6.2741   67.999   6.2741 -0.000000 0.000000 
1 1 1    0   51   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   -5 o   13.324   4.0896   73.266   32.997   62.669   46.848   83.699   46.483   12.159   5.8116   14.490   5.7553 -0.000000 0.000000 
1 1 1    0    1   -5 o  262.699   1.3143 19932.16  199.374 19748.39  281.556 20116.97  282.359  261.484   1.8646  263.914   1.8527 -0.000000 0.000000 
1 1 1    0    2   -5 o   95.580   1.2605  2643.64   69.437  2705.80   96.495  2576.89   99.996   96.751   1.7281   94.409   1.8355 -0.000000 0.000000 
1 1 1    0    3   -5 o  313.203   1.8386 28399.26  312.203 28150.69  544.012 28521.33  381.232  312.162   3.0181  314.243   2.1008 -0.000000 0.000000 
1 1 1    0    4   -5 o   29.128   1.6110  254.772   26.057  215.628   39.101  286.043   34.948   26.965   2.5640   31.291   1.9512 -0.000000 0.000000 
1 1 1    0    5   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    6   -5 o  175.503   1.2364  8886.89  119.084  8932.07  203.138  8863.24  146.989  175.834   2.0009  175.173   1.4531 -0.000000 0.000000 
1 1 1    0    7   -5 o  188.740   1.3044 10337.84  134.809 10139.37  229.595 10442.26  166.541  187.340   2.1226  190.139   1.5168 -0.000000 0.000000 
1 1 1    0    8   -5 o  100.776   0.8812  2934.83   51.256  2978.68   72.067  2889.96   72.913  101.539   1.2293  100.014   1.2627 -0.000000 0.000000 
1 1 1    0    9   -5 o  437.812   2.0433 55358.13  516.198 55551.57  745.607 55180.06  715.360  438.544   2.9441  437.079   2.8341 -0.000000 0.000000 
1 1 1    0   10   -5 o   86.074   1.3811  2162.03   67.949  2406.92   94.015  1894.22   98.317   91.242   1.7856   80.906   2.1073 -0.000000 0.000000 
1 1 1    0   11   -5 o   44.742   2.0280  598.851   50.569  678.139   67.810  499.507   75.904   48.273   2.4466   41.211   3.2349 -0.000000 0.000000 
1 1 1    0   12   -5 o  460.255   3.0284 61165.92  803.657 61862.23  1171.78 60547.50  1104.30  462.722   4.3856  457.788   4.1775 -0.000000 0.000000 
1 1 1    0   13   -5 o   15.119   3.8036   67.919   48.747  179.648   66.367 -62.9818   71.836   23.072   5.7565   7.1664   4.9730 -0.000000 0.000000 
1 1 1    0   14   -5 o  253.862   1.8466 18622.32  270.604 18966.73  380.933 18271.47  384.477  256.234   2.5747  251.490   2.6477 -0.000000 0.000000 
1 1 1    0   15   -5 o  417.519   2.7718 50358.34  668.156 51460.53  948.263 49271.57  941.604  422.058   3.8909  412.979   3.9486 -0.000000 0.000000 
1 1 1    0   16   -5 o  322.513   2.2259 30046.96  414.520 29868.73  584.793 30226.95  587.657  321.551   3.1496  323.474   3.1462 -0.000000 0.000000 
1 1 1    0   17   -5 f  1094.17   6.7893 346104.09  4287.63 347803.00  5980.99 344308.00  6149.77  1096.95   9.4422  1091.39   9.7583 -0.000000 0.000000 
1 1 1    0   18   -5 o  575.654   3.7229 95735.20  1237.48 96185.69  1755.81 95290.53  1744.38  577.000   5.2698  574.308   5.2601 -0.000000 0.000000 
1 1 1    0   19   -5 o   84.415   1.8767  2066.43   91.121  2209.58  128.893  1923.40  128.837   87.359   2.5597   81.472   2.7451 -0.000000 0.000000 
1 1 1    0   20   -5 o  712.773   4.4092 146793.50  1814.78 147169.59  2564.86 146416.50  2568.11  713.688   6.2236  711.858   6.2475 -0.000000 0.000000 
1 1 1    0   21   -5 o  158.723   1.6288  7283.17  149.049  7744.63  211.716  6829.72  209.870  163.716   2.2401  153.730   2.3650 -0.000000 0.000000 
1 1 1    0   22   -5 o  282.766   2.0823 23051.96  339.629 21862.63  468.492 24369.33  493.064  275.092   2.9495  290.440   2.9401 -0.000000 0.000000 
1 1 1    0   23   -5 o  890.737   5.6597 229114.80  2908.86 223419.50  4020.48 235371.09  4213.83  879.140   7.9198  902.334   8.0873 -0.000000 0.000000 
1 1 1    0   24   -5 o  341.649   3.2895 33721.41  648.933 33721.41  648.933   0.0000   0.0000  341.649   3.2895  341.649   3.2895 -0.000000 0.000000 
1 1 1    0   25   -5 o  213.224   1.8399 13106.77  226.153 12635.36  309.479 13646.97  331.291  209.119   2.5633  217.329   2.6403 -0.000000 0.000000 
1 1 1    0   26   -5 o  316.976   2.3059 29034.64  421.891 28105.77  595.825 29968.64  597.467  311.886   3.3086  322.065   3.2128 -0.000000 0.000000 
1 1 1    0   27   -5 o  337.543   3.3612 32920.74  655.113   0.0000   0.0000 32920.74  655.113  337.543   3.3612  337.543   3.3612 -0.000000 0.000000 
1 1 1    0   28   -5 o  333.565   3.3705 32151.60  649.167   0.0000   0.0000 32151.60  649.167  333.565   3.3705  333.565   3.3705 -0.000000 0.000000 
1 1 1    0   29   -5 o  208.082   1.8535 12509.92  222.601 12949.93  317.132 12082.60  312.530  211.691   2.5948  204.473   2.6475 -0.000000 0.000000 
1 1 1    0   30   -5 o  323.946   2.3357 30323.38  436.800 30099.19  610.403 30558.67  625.323  322.720   3.2757  325.171   3.3305 -0.000000 0.000000 
1 1 1    0   31   -5 o  124.580   2.0744  4500.09  147.848  4420.76  222.786  4562.53  197.643  123.578   3.1260  125.583   2.7279 -0.000000 0.000000 
1 1 1    0   32   -5 o  478.713   3.1540 66378.68  870.343 68497.18  1208.74 64097.78  1254.22  486.685   4.3011  470.741   4.6142 -0.000000 0.000000 
1 1 1    0   33   -5 o  296.146   2.1698 25370.55  370.741 25993.62  518.522 24718.89  530.289  299.877   2.9946  292.415   3.1408 -0.000000 0.000000 
1 1 1    0   34   -5 o  563.030   5.1973 91777.15  1689.70   0.0000   0.0000 91777.15  1689.70  563.030   5.1973  563.030   5.1973 -0.000000 0.000000 
1 1 1    0   35   -5 o  199.084   2.7559 11460.02  316.732   0.0000   0.0000 11460.02  316.732  199.084   2.7559  199.084   2.7559 -0.000000 0.000000 
1 1 1    0   36   -5 o   70.493   4.2906  1453.40  173.198   0.0000   0.0000  1453.40  173.198   70.493   4.2906   70.493   4.2906 -0.000000 0.000000 
1 1 1    0   37   -5 o  185.492   1.8482  9942.27  197.955   0.0000   0.0000  9942.27  197.955  185.492   1.8482  185.492   1.8482 -0.000000 0.000000 
1 1 1    0   38   -5 o  318.157   3.3213 29274.79  610.130   0.0000   0.0000 29274.79  610.130  318.157   3.3213  318.157   3.3213 -0.000000 0.000000 
1 1 1    0   39   -5 o   58.426   3.7103  999.227  124.044   0.0000   0.0000  999.227  124.044   58.426   3.7103   58.426   3.7103 -0.000000 0.000000 
1 1 1    0   40   -5 o  148.275   2.0048  6355.68  171.609   0.0000   0.0000  6355.68  171.609  148.275   2.0048  148.275   2.0048 -0.000000 0.000000 
1 1 1    0   41   -5 o   69.791   3.3071  1418.41  132.620   0.0000   0.0000  1418.41  132.620   69.791   3.3071   69.791   3.3071 -0.000000 0.000000 
1 1 1    0   42   -5 o   60.470   3.7047  1070.48  128.269   0.0000   0.0000  1070.48  128.269   60.470   3.7047   60.470   3.7047 -0.000000 0.000000 
1 1 1    0   43   -5 o  247.776   2.0303 17749.34  290.500   0.0000   0.0000 17749.34  290.500  247.776   2.0303  247.776   2.0303 -0.000000 0.000000 
1 1 1    0   44   -5 o   53.278   4.2136  839.190  127.789   0.0000   0.0000  839.190  127.789   53.278   4.2136   53.278   4.2136 -0.000000 0.000000 
1 1 1    0   45   -5 o   21.787   9.5691  202.058  125.914   0.0000   0.0000  202.058  125.914   21.787   9.5691   21.787   9.5691 -0.000000 0.000000 
1 1 1    0   46   -5 o   97.358   2.3547  2749.41  132.228   0.0000   0.0000  2749.41  132.228   97.358   2.3547   97.358   2.3547 -0.000000 0.000000 
1 1 1    0   47   -5 o   57.659   3.7827  981.002  124.720   0.0000   0.0000  981.002  124.720   57.659   3.7827   57.659   3.7827 -0.000000 0.000000 
1 1 1    0   48   -5 o   53.583   3.8138  851.062  116.653   0.0000   0.0000  851.062  116.653   53.583   3.8138   53.583   3.8138 -0.000000 0.000000 
1 1 1    0   49   -5 o   50.534   5.5766  784.247  157.697   0.0000   0.0000  784.247  157.697   50.534   5.5766   50.534   5.5766 -0.000000 0.000000 
1 1 1    0   50   -5 o   22.581   11.229  245.077  177.385   0.0000   0.0000  245.077  177.385   22.581   11.229   22.581   11.229 -0.000000 0.000000 
1 1 1    0   51   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52   -5 o   64.363   4.6670  1250.15  171.389   0.0000   0.0000  1250.15  171.389   64.363   4.6670   64.363   4.6670 -0.000000 0.000000 
1 1 1    0    0   -6 o  798.912   5.0063 184333.30  2308.31 181999.30  3204.52 186850.41  3327.87  793.663   6.9923  804.162   7.1666 -0.000000 0.000000 
1 1 1    0    1   -6 o   8.5640   4.9630   25.724   40.046   0.0000   0.0000   25.724   40.046   8.5640   4.9630   8.5640   4.9630 -0.000000 0.000000 
1 1 1    0    2   -6 o  324.756   1.5544 30457.82  291.476 30727.24  415.925 30197.81  408.590  326.167   2.2082  323.345   2.1882 -0.000000 0.000000 
1 1 1    0    3   -6 o   44.135   1.4901  572.744   36.060  544.475   59.948  588.773   45.139   43.219   2.4190   45.052   1.7407 -0.000000 0.000000 
1 1 1    0    4   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5   -6 o   50.111   1.3488  737.796   36.660  699.410   62.584  757.848   45.233   49.062   2.2190   51.159   1.5340 -0.000000 0.000000 
1 1 1    0    6   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7   -6 o   23.073   3.4024  163.464   42.445   0.0000   0.0000  163.464   42.445   23.073   3.4024   23.073   3.4024 -0.000000 0.000000 
1 1 1    0    8   -6 o  878.502   5.4967 223010.41  2787.73 217840.30  3892.41 228455.09  3994.45  868.052   7.7654  888.952   7.7816 -0.000000 0.000000 
1 1 1    0    9   -6 o   86.571   1.0959  2162.91   52.352  2154.55   65.061  2178.26   88.176   86.347   1.3053   86.796   1.7606 -0.000000 0.000000 
1 1 1    0   10   -6 o  518.258   2.3816 77589.05  712.474 77420.56  1022.45 77748.08  993.357  517.708   3.4199  518.807   3.3155 -0.000000 0.000000 
1 1 1    0   11   -6 o  347.513   2.2692 34880.52  455.387   0.0000   0.0000 34880.52  455.387  347.513   2.2692  347.513   2.2692 -0.000000 0.000000 
1 1 1    0   12   -6 o   55.751   1.8844  910.280   59.712  957.147   80.200  851.983   89.446   57.416   2.4284   54.085   2.8822 -0.000000 0.000000 
1 1 1    0   13   -6 o   20.286   3.8386  167.113   52.917  282.035   69.618   9.8517   81.438   30.417   4.1891   10.154   6.4335 -0.000000 0.000000 
1 1 1    0   14   -6 o  371.003   2.6014 39823.03  555.280 39031.76  816.256 40504.64  757.591  367.560   3.8461  374.447   3.5038 -0.000000 0.000000 
1 1 1    0   15   -6 o  309.173   2.1442 27614.20  382.772 27486.35  542.818 27740.66  539.836  308.460   3.0477  309.886   3.0169 -0.000000 0.000000 
1 1 1    0   16   -6 o  414.188   2.7342 49549.48  653.796 49999.45  935.100 49119.15  914.460  416.026   3.8926  412.349   3.8406 -0.000000 0.000000 
1 1 1    0   17   -6 f  237.804   1.8003 16336.66  247.192 16263.04  349.336 16410.49  349.828  237.267   2.5500  238.341   2.5420 -0.000000 0.000000 
1 1 1    0   18   -6 o  174.070   1.6074  8756.54  161.497  8967.21  228.097  8544.77  228.687  176.172   2.2426  171.968   2.3035 -0.000000 0.000000 
1 1 1    0   19   -6 o   82.524   2.0200  1974.91   95.889  1855.29  135.191  2096.02  136.030   79.991   2.9353   85.058   2.7758 -0.000000 0.000000 
1 1 1    0   20   -6 o  215.849   1.7324 13460.31  215.901 13549.98  305.181 13370.46  305.480  216.569   2.4406  215.129   2.4594 -0.000000 0.000000 
1 1 1    0   21   -6 o  809.903   5.1351 189562.41  2401.51 190364.70  3405.19 188768.41  3387.37  811.608   7.2659  808.197   7.2584 -0.000000 0.000000 
1 1 1    0   22   -6 o  639.367   4.0790 117879.00  1504.37 111617.90  2075.49 124809.60  2183.63  621.510   5.7832  657.223   5.7538 -0.000000 0.000000 
1 1 1    0   23   -6 o  373.080   2.5162 40203.72  541.977 39207.82  761.113 41228.16  771.944  368.392   3.5780  377.768   3.5388 -0.000000 0.000000 
1 1 1    0   24   -6 o   53.841   4.9332  858.319  150.441  858.319  150.441   0.0000   0.0000   53.841   4.9332   53.841   4.9332 -0.000000 0.000000 
1 1 1    0   25   -6 o  266.468   2.8208 20514.24  434.009 20514.24  434.009   0.0000   0.0000  266.468   2.8208  266.468   2.8208 -0.000000 0.000000 
1 1 1    0   26   -6 o  843.401   5.3602 205800.00  2609.57 201641.50  3713.22 209858.09  3668.17  834.957   7.7017  851.845   7.4572 -0.000000 0.000000 
1 1 1    0   27   -6 o  285.953   2.1381 23620.85  352.880 23430.51  491.459 23823.42  506.999  284.766   2.9890  287.141   3.0580 -0.000000 0.000000 
1 1 1    0   28   -6 o  340.814   3.4402 33565.52  676.997   0.0000   0.0000 33565.52  676.997  340.814   3.4402  340.814   3.4402 -0.000000 0.000000 
1 1 1    0   29   -6 o   61.817   3.4337  1127.34  120.520  1195.86  168.782  1056.06  172.150   63.825   4.6349   59.808   5.0675 -0.000000 0.000000 
1 1 1    0   30   -6 o  108.644   2.2991  3407.69  143.537  3564.22  213.027  3277.53  194.253  110.918   3.3322  106.369   3.1684 -0.000000 0.000000 
1 1 1    0   31   -6 o  391.779   2.6467 44371.70  598.736 44825.05  847.829 43920.66  845.657  393.778   3.7287  389.781   3.7573 -0.000000 0.000000 
1 1 1    0   32   -6 o  269.500   2.0828 21030.86  323.500 22148.13  453.143 19869.58  461.982  276.824   2.8350  262.175   3.0520 -0.000000 0.000000 
1 1 1    0   33   -6 o  114.220   2.1852  3777.19  143.761  3805.32  208.515  3751.70  198.475  114.619   3.1553  113.821   3.0241 -0.000000 0.000000 
1 1 1    0   34   -6 o  105.107   2.4649  3219.37  148.482  3522.67  207.453  2900.81  212.612  110.252   3.2645   99.962   3.6941 -0.000000 0.000000 
1 1 1    0   35   -6 o   66.424   3.7271  1320.40  137.335  1202.49  212.925  1404.40  179.714   63.619   5.9124   69.229   4.5396 -0.000000 0.000000 
1 1 1    0   36   -6 o   59.649   4.0939  1057.26  132.831  1393.86  196.355  773.249  180.366   68.855   4.9982   50.444   6.4852 -0.000000 0.000000 
1 1 1    0   37   -6 o  187.940   2.7533 10214.26  298.710   0.0000   0.0000 10214.26  298.710  187.940   2.7533  187.940   2.7533 -0.000000 0.000000 
1 1 1    0   38   -6 o  141.288   2.9203  5777.32  238.064   0.0000   0.0000  5777.32  238.064  141.288   2.9203  141.288   2.9203 -0.000000 0.000000 
1 1 1    0   39   -6 o  127.358   3.3540  4700.09  246.314   0.0000   0.0000  4700.09  246.314  127.358   3.3540  127.358   3.3540 -0.000000 0.000000 
1 1 1    0   40   -6 o  188.290   1.9443 10246.60  211.389   0.0000   0.0000 10246.60  211.389  188.290   1.9443  188.290   1.9443 -0.000000 0.000000 
1 1 1    0   41   -6 o   63.919   3.6417  1193.79  133.438   0.0000   0.0000  1193.79  133.438   63.919   3.6417   63.919   3.6417 -0.000000 0.000000 
1 1 1    0   42   -6 o  118.487   2.2955  4062.93  156.951   0.0000   0.0000  4062.93  156.951  118.487   2.2955  118.487   2.2955 -0.000000 0.000000 
1 1 1    0   43   -6 o   86.902   2.9431  2192.91  147.327   0.0000   0.0000  2192.91  147.327   86.902   2.9431   86.902   2.9431 -0.000000 0.000000 
1 1 1    0   44   -6 o  ?   ?  -559.0488  130.003   0.0000   0.0000 -559.0488  130.003  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0   45   -6 o   63.841   3.9873  1198.04  145.700   0.0000   0.0000  1198.04  145.700   63.841   3.9873   63.841   3.9873 -0.000000 0.000000 
1 1 1    0   46   -6 o   80.757   3.1823  1901.92  147.903   0.0000   0.0000  1901.92  147.903   80.757   3.1823   80.757   3.1823 -0.000000 0.000000 
1 1 1    0   47   -6 o   37.481   6.9780  456.143  135.686   0.0000   0.0000  456.143  135.686   37.481   6.9780   37.481   6.9780 -0.000000 0.000000 
1 1 1    0   48   -6 o   8.6086   6.1212 -170.6967  131.092   0.0000   0.0000 -170.6967  131.092   8.6086   6.1212   8.6086   6.1212 -0.000000 0.000000 
1 1 1    0   49   -6 o   84.160   3.9604  2089.51  191.528   0.0000   0.0000  2089.51  191.528   84.160   3.9604   84.160   3.9604 -0.000000 0.000000 
1 1 1    0   50   -6 o   6.7627   5.0189 -624.7538  170.566   0.0000   0.0000 -624.7538  170.566   6.7627   5.0189   6.7627   5.0189 -0.000000 0.000000 
1 1 1    0   51   -6 o   77.196   4.1838  1772.09  185.279   0.0000   0.0000  1772.09  185.279   77.196   4.1838   77.196   4.1838 -0.000000 0.000000 
1 1 1    0   52   -6 o   32.316   10.495  420.474  173.279   0.0000   0.0000  420.474  173.279   32.316   10.495   32.316   10.495 -0.000000 0.000000 
1 1 1    0    0   -7 o   47.724   1.8906  663.526   51.692  701.196   74.022  627.668   72.220   49.065   2.6294   46.383   2.7173 -0.000000 0.000000 
1 1 1    0    1   -7 o  579.162   2.5924 96871.88  866.875 97796.57  1241.33 95991.66  1211.12  581.858   3.6942  576.466   3.6380 -0.000000 0.000000 
1 1 1    0    2   -7 o   5.5487   2.8403 -85.5798   36.157 -96.2546   42.992 -59.7864   66.829   4.2161   3.0687   6.8814   4.7803 -0.000000 0.000000 
1 1 1    0    3   -7 o  459.673   2.1015 61031.21  557.770 61112.40  795.609 60952.76  782.174  459.973   2.9952  459.373   2.9484 -0.000000 0.000000 
1 1 1    0    4   -7 o   74.643   1.4469  1614.91   61.737  1630.58   82.336  1594.79   93.308   75.070   1.9018   74.216   2.1812 -0.000000 0.000000 
1 1 1    0    5   -7 o  291.125   1.4225 24480.26  239.145 24622.81  337.520 24336.55  338.888  291.977   2.0018  290.274   2.0217 -0.000000 0.000000 
1 1 1    0    6   -7 o  195.420   1.3491 11081.99  144.546 10870.26  245.540 11194.28  178.814  193.974   2.1924  196.866   1.5729 -0.000000 0.000000 
1 1 1    0    7   -7 o  646.409   2.8629 120696.90  1068.67 119379.40  1504.44 122038.90  1518.32  642.847   4.0525  649.970   4.0450 -0.000000 0.000000 
1 1 1    0    8   -7 o  101.567   0.9470  2981.42   55.488  2957.43   79.829  3003.85   77.181  101.171   1.3668  101.964   1.3111 -0.000000 0.000000 
1 1 1    0    9   -7 o  518.498   2.3440 77655.20  701.841 77618.35  990.302 77692.41  994.820  518.375   3.3081  518.621   3.3216 -0.000000 0.000000 
1 1 1    0   10   -7 o  395.227   1.8371 45126.64  419.200 44576.09  596.948 45662.30  588.812  392.847   2.6313  397.607   2.5644 -0.000000 0.000000 
1 1 1    0   11   -7 o  618.298   3.6628 110848.40  1180.53 109545.00  2204.91 111372.10  1397.76  615.666   6.2024  620.930   3.8980 -0.000000 0.000000 
1 1 1    0   12   -7 o  476.620   2.2046 65605.74  606.455 65883.45  873.412 65347.20  842.724  477.592   3.1668  475.648   3.0680 -0.000000 0.000000 
1 1 1    0   13   -7 o   69.485   1.8806  1360.05   74.058  1169.80   95.180  1651.95  117.898   63.485   2.6059   75.486   2.7122 -0.000000 0.000000 
1 1 1    0   14   -7 o  103.997   1.5219  3141.49   90.860  3316.35  124.735  2943.84  132.617  107.106   2.0181  100.888   2.2786 -0.000000 0.000000 
1 1 1    0   15   -7 o  241.423   1.8844 16812.97  262.266 17269.01  383.669 16412.97  359.328  244.491   2.7179  238.356   2.6109 -0.000000 0.000000 
1 1 1    0   16   -7 o  348.685   2.4915 35182.06  499.536 34441.80  736.701 35812.10  679.645  345.277   3.6953  352.095   3.3429 -0.000000 0.000000 
1 1 1    0   17   -7 o  253.691   1.8863 18593.85  276.282 18869.41  390.366 18317.27  391.078  255.576   2.6453  251.806   2.6898 -0.000000 0.000000 
1 1 1    0   18   -7 f  141.633   1.6129  5790.80  131.752  5962.61  190.949  5634.67  182.023  143.636   2.3031  139.630   2.2585 -0.000000 0.000000 
1 1 1    0   19   -7 o  289.312   2.0645 24180.55  344.872 24295.84  486.552 24064.15  488.902  290.006   2.9056  288.618   2.9337 -0.000000 0.000000 
1 1 1    0   20   -7 o  611.377   3.9301 107990.10  1387.40 109214.00  1970.18 106786.20  1954.08  614.814   5.5495  607.939   5.5665 -0.000000 0.000000 
1 1 1    0   21   -7 o  259.994   1.9548 19530.83  293.300 20344.73  416.305 18728.68  413.290  265.376   2.7169  254.611   2.8113 -0.000000 0.000000 
1 1 1    0   22   -7 o  179.129   1.7270  9270.87  178.432  9252.41  247.000  9291.03  258.044  178.944   2.3909  179.313   2.4928 -0.000000 0.000000 
1 1 1    0   23   -7 o  458.838   3.0019 60783.45  795.046 58648.54  1108.41 63045.87  1141.03  450.543   4.2606  467.134   4.2301 -0.000000 0.000000 
1 1 1    0   24   -7 o  384.761   3.6088 42771.02  801.778 42771.02  801.778   0.0000   0.0000  384.761   3.6088  384.761   3.6088 -0.000000 0.000000 
1 1 1    0   25   -7 o  328.263   3.2508 31133.03  616.179 31133.03  616.179   0.0000   0.0000  328.263   3.2508  328.263   3.2508 -0.000000 0.000000 
1 1 1    0   26   -7 o  400.038   2.7318 46263.82  630.714 45304.39  899.984 47189.80  884.157  395.954   3.9364  404.122   3.7889 -0.000000 0.000000 
1 1 1    0   27   -7 o  143.258   1.9335  5942.26  158.726  6004.81  212.888  5863.97  238.180  144.120   2.5595  142.395   2.8989 -0.000000 0.000000 
1 1 1    0   28   -7 o  150.085   2.6096  6512.23  226.049   0.0000   0.0000  6512.23  226.049  150.085   2.6096  150.085   2.6096 -0.000000 0.000000 
1 1 1    0   29   -7 o  341.769   3.3853 33756.89  668.065   0.0000   0.0000 33756.89  668.065  341.769   3.3853  341.769   3.3853 -0.000000 0.000000 
1 1 1    0   30   -7 o  163.019   1.8814  7671.52  176.887  7387.84  244.299  7984.14  256.457  159.854   2.6478  166.184   2.6736 -0.000000 0.000000 
1 1 1    0   31   -7 f  276.450   2.1245 22080.75  338.866 20931.94  474.387 23277.67  484.221  269.104   3.0532  283.796   2.9550 -0.000000 0.000000 
1 1 1    0   32   -7 o   13.710   6.2931 -31.3065  122.187   54.505  173.580 -115.5918  172.029   15.772   9.7290   11.648   7.9850 -0.000000 0.000000 
1 1 1    0   33   -7 o  149.619   1.9939  6487.83  171.812  6096.15  245.094  6866.27  240.919  145.156   2.9263  154.082   2.7092 -0.000000 0.000000 
1 1 1    0   34   -7 o  348.592   2.4695 35140.52  497.065 35313.44  702.302 34966.96  703.611  349.454   3.4805  347.731   3.5043 -0.000000 0.000000 
1 1 1    0   35   -7 o   43.988   5.9820  617.389  135.402  669.148  199.191  572.928  184.612   45.927   8.3194   42.048   8.5979 -0.000000 0.000000 
1 1 1    0   36   -7 o  185.972   1.9767  9999.39  212.151 10319.41  302.404  9689.24  297.706  188.906   2.7731  183.039   2.8177 -0.000000 0.000000 
1 1 1    0   37   -7 o  106.340   2.5993  3284.45  158.851  3239.08  231.618  3324.74  218.273  105.625   3.8081  107.056   3.5390 -0.000000 0.000000 
1 1 1    0   38   -7 o  477.160   3.1768 65976.63  874.458 67936.55  1222.72 63924.63  1251.11  484.455   4.3709  469.865   4.6114 -0.000000 0.000000 
1 1 1    0   39   -7 o  164.995   3.0467  7878.56  290.101   0.0000   0.0000  7878.56  290.101  164.995   3.0467  164.995   3.0467 -0.000000 0.000000 
1 1 1    0   40   -7 o  111.508   4.1326  3614.25  265.314   0.0000   0.0000  3614.25  265.314  111.508   4.1326  111.508   4.1326 -0.000000 0.000000 
1 1 1    0   41   -7 o   35.794   11.727  478.883  214.900   0.0000   0.0000  478.883  214.900   35.794   11.727   35.794   11.727 -0.000000 0.000000 
1 1 1    0   42   -7 o   70.226   3.4496  1437.93  139.142   0.0000   0.0000  1437.93  139.142   70.226   3.4496   70.226   3.4496 -0.000000 0.000000 
1 1 1    0   43   -7 o  148.872   2.1504  6411.79  184.801   0.0000   0.0000  6411.79  184.801  148.872   2.1504  148.872   2.1504 -0.000000 0.000000 
1 1 1    0   44   -7 o  241.632   3.2315 16928.03  450.781   0.0000   0.0000 16928.03  450.781  241.632   3.2315  241.632   3.2315 -0.000000 0.000000 
1 1 1    0   45   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   -8 o  673.889   4.2424 131205.30  1650.77 131299.50  2322.56 131109.09  2346.72  674.136   5.9664  673.643   6.0329 -0.000000 0.000000 
1 1 1    0    1   -8 o   4.8841   2.4837 -80.0587   33.046 -89.6151   44.207 -67.9552   49.750   4.4315   3.2108   5.3367   3.7903 -0.000000 0.000000 
1 1 1    0    2   -8 o  347.506   2.0649 35017.48  389.698 34489.46  675.605 35280.75  477.060  345.515   3.3864  349.497   2.3637 -0.000000 0.000000 
1 1 1    0    3   -8 o   83.956   1.5072  2041.47   72.617  2060.20   98.220  2018.90  107.843   84.390   2.0178   83.521   2.2393 -0.000000 0.000000 
1 1 1    0    4   -8 o  306.306   2.1446 27107.52  379.265 26875.27  538.423 27336.24  534.325  305.002   3.0573  307.610   3.0082 -0.000000 0.000000 
1 1 1    0    5   -8 o  279.231   1.6564 22395.04  254.671 22940.97  433.383 22107.09  314.747  281.804   2.6633  276.658   1.9701 -0.000000 0.000000 
1 1 1    0    6   -8 o  278.434   1.7184 22488.44  261.601 22099.65  447.162 22690.74  322.560  276.581   2.8000  280.286   1.9928 -0.000000 0.000000 
1 1 1    0    7   -8 o   57.403   1.5849  974.571   48.923  1011.25   60.071  902.309   84.312   59.097   1.7636   55.710   2.6338 -0.000000 0.000000 
1 1 1    0    8   -8 o  382.152   1.7867 42181.83  394.313 42058.32  557.642 42305.35  557.645  381.592   2.5305  382.712   2.5231 -0.000000 0.000000 
1 1 1    0    9   -8 o   17.094   5.0598  124.223   55.960  158.108   70.549   66.730   91.895   20.801   6.6600   13.386   7.6190 -0.000000 0.000000 
1 1 1    0   10   -8 o  194.843   1.3799 11002.40  147.361 10852.75  250.853 11081.25  182.091  193.817   2.2417  195.869   1.6099 -0.000000 0.000000 
1 1 1    0   11   -8 o  359.962   1.7134 37425.64  356.022 37389.82  510.762 37459.48  496.523  359.794   2.4582  360.131   2.3875 -0.000000 0.000000 
1 1 1    0   12   -8 o  229.312   1.2346 15187.59  163.476 15213.27  232.877 15162.63  229.538  229.503   1.7572  229.121   1.7348 -0.000000 0.000000 
1 1 1    0   13   -8 o   73.493   1.4857  1538.80   58.960  1633.91  104.859  1494.82   71.299   75.101   2.4232   71.885   1.7196 -0.000000 0.000000 
1 1 1    0   14   -8 o  924.925   6.0705 249346.30  3211.33 227963.30  4751.00 267333.69  4357.48  888.030   9.2657  961.820   7.8455 -0.000000 0.000000 
1 1 1    0   15   -8 o   7.8438   3.8551 -137.0571   67.037  -5.5488   87.365 -325.3576  104.540   9.9108   6.4263   5.7768   4.2601 -0.000000 0.000000 
1 1 1    0   16   -8 f  495.457   3.2614 70918.33  932.120 70898.18  1348.66 70936.74  1289.74  495.385   4.7148  495.529   4.5074 -0.000000 0.000000 
1 1 1    0   17   -8 o  181.516   1.6619  9526.22  174.031  9188.12  247.435  9857.21  244.819  178.323   2.4035  184.710   2.2957 -0.000000 0.000000 
1 1 1    0   18   -8 o   63.172   2.4880  1172.15   89.354  1304.05  124.213  1030.69  128.635   66.964   3.2288   59.380   3.7862 -0.000000 0.000000 
1 1 1    0   19   -8 o  649.774   4.1557 121987.30  1559.12 122256.60  2218.92 121724.70  2191.21  650.480   5.9075  649.067   5.8464 -0.000000 0.000000 
1 1 1    0   20   -8 o  618.417   3.9365 110477.80  1405.57 112092.50  2005.84 108919.90  1970.20  622.856   5.5770  613.978   5.5571 -0.000000 0.000000 
1 1 1    0   21   -8 o   70.004   2.6239  1427.30  105.386  1393.10  148.674  1461.83  149.405   69.148   3.7480   70.860   3.6733 -0.000000 0.000000 
1 1 1    0   22   -8 o  853.346   5.2691 210450.70  2596.17 213529.70  3702.17 207471.50  3641.65  859.487   7.4594  847.205   7.4439 -0.000000 0.000000 
1 1 1    0   23   -8 o  211.480   1.9329 12925.53  234.965 12950.12  317.986 12895.96  348.719  211.708   2.6016  211.253   2.8594 -0.000000 0.000000 
1 1 1    0   24   -8 o  215.403   1.9064 13389.88  236.880 13017.46  326.877 13801.76  343.759  212.253   2.6675  218.554   2.7243 -0.000000 0.000000 
1 1 1    0   25   -8 o  171.765   2.5760  8526.71  255.416  8526.71  255.416   0.0000   0.0000  171.765   2.5760  171.765   2.5760 -0.000000 0.000000 
1 1 1    0   26   -8 o  172.257   1.9323  8633.78  190.736  9226.82  260.685  7950.52  279.814  178.682   2.5272  165.832   2.9236 -0.000000 0.000000 
1 1 1    0   27   -8 o  150.589   1.9506  6563.75  168.432  6620.97  226.333  6492.74  252.150  151.337   2.5912  149.841   2.9162 -0.000000 0.000000 
1 1 1    0   28   -8 o  123.290   2.8435  4397.82  202.230   0.0000   0.0000  4397.82  202.230  123.290   2.8435  123.290   2.8435 -0.000000 0.000000 
1 1 1    0   29   -8 o  107.581   3.3842  3353.84  209.797   0.0000   0.0000  3353.84  209.797  107.581   3.3842  107.581   3.3842 -0.000000 0.000000 
1 1 1    0   30   -8 o   60.078   3.8060  1065.64  129.343  982.134  177.919  1159.24  188.364   57.506   5.4708   62.650   5.2927 -0.000000 0.000000 
1 1 1    0   31   -8 o  122.605   2.0529  4346.15  145.107  4518.29  208.992  4185.91  201.632  124.951   2.8996  120.259   2.9069 -0.000000 0.000000 
1 1 1    0   32   -8 o   73.948   3.1381  1592.37  132.504  1433.48  181.773  1772.54  193.560   69.964   4.5425   77.933   4.3310 -0.000000 0.000000 
1 1 1    0   33   -8 o  368.028   2.6061 39171.91  553.767 39340.54  779.151 38999.77  787.202  368.833   3.6585  367.224   3.7125 -0.000000 0.000000 
1 1 1    0   34   -8 o   15.994   6.6659 -91.4097  134.877 -405.0211  190.060  226.761  191.436   9.0035   6.5406   22.985   11.617 -0.000000 0.000000 
1 1 1    0   35   -8 o   65.956   4.0915  1305.50  150.640  1484.19  208.003  1108.40  218.455   71.053   5.1302   60.860   6.3752 -0.000000 0.000000 
1 1 1    0   36   -8 f  122.433   2.5712  4335.64  181.103  4726.91  262.603  3980.76  250.092  127.711   3.5666  117.155   3.7046 -0.000000 0.000000 
1 1 1    0   37   -8 o  289.857   2.2618 24291.14  378.194 24160.11  523.184 24434.54  547.329  289.047   3.1348  290.668   3.2613 -0.000000 0.000000 
1 1 1    0   38   -8 o  189.415   2.1051 10401.57  229.651 10912.50  319.988  9858.88  329.783  194.240   2.8538  184.591   3.0953 -0.000000 0.000000 
1 1 1    0   39   -8 o   75.326   3.8966  1692.96  164.779  1941.13  228.097  1422.09  238.305   81.424   4.8908   69.228   6.0675 -0.000000 0.000000 
1 1 1    0   40   -8 o   79.540   5.0549  1856.02  230.059  1856.02  230.059   0.0000   0.0000   79.540   5.0549   79.540   5.0549 -0.000000 0.000000 
1 1 1    0   41   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   42   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   43   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   44   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   45   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   -8 o   63.153   4.3805  1184.49  158.007   0.0000   0.0000  1184.49  158.007   63.153   4.3805   63.153   4.3805 -0.000000 0.000000 
1 1 1    0   48   -8 o   71.271   3.9024  1499.81  159.532   0.0000   0.0000  1499.81  159.532   71.271   3.9024   71.271   3.9024 -0.000000 0.000000 
1 1 1    0   49   -8 o   94.599   2.9454  2614.41  160.567   0.0000   0.0000  2614.41  160.567   94.599   2.9454   94.599   2.9454 -0.000000 0.000000 
1 1 1    0   50   -8 o   37.624   8.1172  484.929  154.740   0.0000   0.0000  484.929  154.740   37.624   8.1172   37.624   8.1172 -0.000000 0.000000 
1 1 1    0   51   -8 o   55.658   4.9640  943.417  156.648   0.0000   0.0000  943.417  156.648   55.658   4.9640   55.658   4.9640 -0.000000 0.000000 
1 1 1    0   52   -8 o   37.867   8.5849  508.339  163.706   0.0000   0.0000  508.339  163.706   37.867   8.5849   37.867   8.5849 -0.000000 0.000000 
1 1 1    0    0   -9 f   10.056   4.3242 -22.2916   54.854   77.109   79.544 -112.4292   75.747   13.687   7.3339   6.4256   4.5837 -0.000000 0.000000 
1 1 1    0    1   -9 o  377.097   2.1371 40945.25  438.956 41474.70  761.938 40682.23  537.031  378.896   3.4825  375.298   2.4779 -0.000000 0.000000 
1 1 1    0    2   -9 o  161.095   1.4026  7493.75  130.404  7656.55  187.410  7340.94  181.568  162.790   1.9940  159.399   1.9730 -0.000000 0.000000 
1 1 1    0    3   -9 o  415.035   2.3681 49560.70  531.795 50329.52  935.807 49194.00  646.292  417.377   3.8829  412.692   2.7118 -0.000000 0.000000 
1 1 1    0    4   -9 o   64.768   1.6936  1216.63   63.129  1224.62   88.245  1208.26   90.348   64.991   2.3580   64.545   2.4315 -0.000000 0.000000 
1 1 1    0    5   -9 f  217.447   1.4697 13684.73  173.931 13580.53  300.828 13737.05  213.174  216.812   2.4031  218.083   1.6927 -0.000000 0.000000 
1 1 1    0    6   -9 o  278.842   1.9830 22457.60  319.319   0.0000   0.0000 22457.60  319.319  278.842   1.9830  278.842   1.9830 -0.000000 0.000000 
1 1 1    0    7   -9 o  435.437   2.4882 55027.77  587.455 54027.39  1020.91 55522.97  718.288  432.436   4.0885  438.438   2.8369 -0.000000 0.000000 
1 1 1    0    8   -9 o   32.942   3.3537  323.051   62.290   0.0000   0.0000  323.051   62.290   32.942   3.3537   32.942   3.3537 -0.000000 0.000000 
1 1 1    0    9   -9 o  461.999   2.6112 61677.44  654.194 61714.21  798.284 61602.23  1141.55  462.237   2.9905  461.761   4.2813 -0.000000 0.000000 
1 1 1    0   10   -9 o  341.138   1.6277 33615.67  320.613 33859.89  450.912 33365.94  455.961  342.392   2.2805  339.884   2.3230 -0.000000 0.000000 
1 1 1    0   11   -9 o  688.055   3.1171 136801.50  1236.87 135813.00  1793.53 137697.91  1707.99  685.677   4.5295  690.432   4.2837 -0.000000 0.000000 
1 1 1    0   12   -9 o  105.473   1.3428  3217.70   76.082  3210.21  134.957  3221.18   92.115  105.364   2.2200  105.583   1.5113 -0.000000 0.000000 
1 1 1    0   13   -9 o  864.281   3.8717 215822.09  1931.34 214712.41  2774.32 216865.59  2690.28  862.119   5.5724  866.443   5.3766 -0.000000 0.000000 
1 1 1    0   14   -9 o  620.627   2.8180 111245.50  1009.34 111559.80  1454.29 110953.40  1402.00  621.470   4.0522  619.783   3.9171 -0.000000 0.000000 
1 1 1    0   15   -9 o  442.630   2.6502 56605.39  614.120 56570.66  1142.09 56619.52  728.386  442.504   4.4699  442.756   2.8487 -0.000000 0.000000 
1 1 1    0   16   -9 o  171.703   1.3828  8442.81  127.216  8715.67  228.866  8320.81  153.036  173.681   2.2825  169.725   1.5615 -0.000000 0.000000 
1 1 1    0   17   -9 o  694.377   4.4976 139355.91  1798.50 138772.50  2639.25 139861.59  2457.41  693.004   6.5955  695.750   6.1167 -0.000000 0.000000 
1 1 1    0   18   -9 o  101.004   1.9796  2965.98  114.179  3467.96  162.764  2479.61  160.214  109.493   2.5771   92.515   3.0057 -0.000000 0.000000 
1 1 1    0   19   -9 o  200.349   1.7458 11597.26  201.927 11605.78  284.439 11588.61  286.709  200.423   2.4581  200.274   2.4796 -0.000000 0.000000 
1 1 1    0   20   -9 o  146.281   1.7809  6189.25  150.133  6605.90  213.042  5778.19  211.606  151.183   2.4414  141.378   2.5935 -0.000000 0.000000 
1 1 1    0   21   -9 o  938.812   5.8332 254633.30  3161.05 260665.09  4547.96 248996.20  4396.69  949.558   8.2944  928.067   8.2042 -0.000000 0.000000 
1 1 1    0   22   -9 o  626.819   3.9789 113497.00  1439.39 114804.10  2074.25 112283.00  1999.05  630.293   5.6992  623.344   5.5538 -0.000000 0.000000 
1 1 1    0   23   -9 o  769.260   4.9021 171061.30  2176.71 164794.41  3062.24 177461.80  3094.69  755.005   7.0241  783.515   6.8400 -0.000000 0.000000 
1 1 1    0   24   -9 o  156.589   1.9235  7157.63  171.565  7610.49  229.565  6584.70  258.212  162.275   2.4507  150.904   2.9653 -0.000000 0.000000 
1 1 1    0   25   -9 o  410.930   3.9104 48794.86  927.877 48794.86  927.877   0.0000   0.0000  410.930   3.9104  410.930   3.9104 -0.000000 0.000000 
1 1 1    0   26   -9 o  302.894   3.0905 26509.23  540.508 26509.23  540.508   0.0000   0.0000  302.894   3.0905  302.894   3.0905 -0.000000 0.000000 
1 1 1    0   27   -9 o  103.954   2.4340  3115.05  144.727  2997.85  191.978  3269.36  220.279  101.712   3.2758  106.196   3.6009 -0.000000 0.000000 
1 1 1    0   28   -9 o   49.570   7.3950  756.823  197.831   0.0000   0.0000  756.823  197.831   49.570   7.3950   49.570   7.3950 -0.000000 0.000000 
1 1 1    0   29   -9 o  144.289   2.7548  6020.94  229.380   0.0000   0.0000  6020.94  229.380  144.289   2.7548  144.289   2.7548 -0.000000 0.000000 
1 1 1    0   30   -9 o  219.900   1.9639 13970.72  249.267 13565.53  348.590 14394.69  356.580  216.637   2.7871  223.164   2.7676 -0.000000 0.000000 
1 1 1    0   31   -9 o   86.540   3.1093  2180.68  154.337  2148.76  212.958  2216.00  223.989   85.882   4.3184   87.198   4.4746 -0.000000 0.000000 
1 1 1    0   32   -9 o   54.178   5.5550  978.622  138.899  565.529  204.167  1334.55  189.516   40.974   9.9559   67.382   4.9306 -0.000000 0.000000 
1 1 1    0   33   -9 o   78.962   3.6994  1869.70  155.359  1119.42  213.304  2717.41  226.731   61.247   6.1740   96.678   4.0772 -0.000000 0.000000 
1 1 1    0   34   -9 o  118.713   2.3804  4075.31  162.735  4288.42  236.678  3884.22  224.120  121.657   3.3744  115.770   3.3584 -0.000000 0.000000 
1 1 1    0   35   -9 o   63.033   4.7294  1231.25  157.804  1523.28  216.720  901.678  230.228   71.959   5.2801   54.108   7.8480 -0.000000 0.000000 
1 1 1    0   36   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   37   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   38   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   39   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   40   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   41   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   42   -9 o   36.817   13.517  537.487  265.601   0.0000   0.0000  537.487  265.601   36.817   13.517   36.817   13.517 -0.000000 0.000000 
1 1 1    0   43   -9 o   27.068   12.993  325.238  234.432   0.0000   0.0000  325.238  234.432   27.068   12.993   27.068   12.993 -0.000000 0.000000 
1 1 1    0   44   -9 o   44.545   10.547  679.281  235.593   0.0000   0.0000  679.281  235.593   44.545   10.547   44.545   10.547 -0.000000 0.000000 
1 1 1    0   45   -9 o   50.635   10.127  853.127  262.764   0.0000   0.0000  853.127  262.764   50.635   10.127   50.635   10.127 -0.000000 0.000000 
1 1 1    0   46   -9 o   54.627   4.7353  893.021  146.813   0.0000   0.0000  893.021  146.813   54.627   4.7353   54.627   4.7353 -0.000000 0.000000 
1 1 1    0   47   -9 o   76.316   6.3505  1768.99  275.446   0.0000   0.0000  1768.99  275.446   76.316   6.3505   76.316   6.3505 -0.000000 0.000000 
1 1 1    0   48   -9 o   52.451   5.1059  835.397  151.308   0.0000   0.0000  835.397  151.308   52.451   5.1059   52.451   5.1059 -0.000000 0.000000 
1 1 1    0   49   -9 o   14.269   8.8037   61.249  142.195   0.0000   0.0000   61.249  142.195   14.269   8.8037   14.269   8.8037 -0.000000 0.000000 
1 1 1    0   50   -9 o   25.216   10.615  284.227  155.744   0.0000   0.0000  284.227  155.744   25.216   10.615   25.216   10.615 -0.000000 0.000000 
1 1 1    0   51   -9 f   76.539   3.9014  1739.53  171.436   0.0000   0.0000  1739.53  171.436   76.539   3.9014   76.539   3.9014 -0.000000 0.000000 
1 1 1    0    0  -10 o  346.450   2.3270 34671.85  465.444 35449.95  660.420 33903.95  656.076  350.314   3.2648  342.586   3.3166 -0.000000 0.000000 
1 1 1    0    1  -10 o   38.665   2.6407  445.306   53.180  439.574   94.286  447.980   64.401   38.264   4.4200   39.067   2.8907 -0.000000 0.000000 
1 1 1    0    2  -10 o  517.673   3.3014 77408.11  986.947   0.0000   0.0000 77408.11  986.947  517.673   3.3014  517.673   3.3014 -0.000000 0.000000 
1 1 1    0    3  -10 o   32.910   2.4275  322.794   44.982  317.455   62.854  328.400   64.402   32.626   3.4219   33.194   3.4442 -0.000000 0.000000 
1 1 1    0    4  -10 o   53.593   1.8352  842.805   54.079  862.346   67.845  808.754   89.557   54.517   2.1625   52.669   2.9657 -0.000000 0.000000 
1 1 1    0    5  -10 o   91.997   1.6810  2449.95   89.148  2518.32  125.736  2380.83  126.415   93.294   2.3369   90.700   2.4171 -0.000000 0.000000 
1 1 1    0    6  -10 o  220.186   1.4825 13909.58  177.263 14283.42  310.532 13728.89  215.895  222.354   2.4188  218.018   1.7148 -0.000000 0.000000 
1 1 1    0    7  -10 o  133.160   1.4786  5125.78  113.615  5198.61  159.525  5050.81  161.852  134.122   2.0605  132.198   2.1211 -0.000000 0.000000 
1 1 1    0    8  -10 o  952.165   4.2132 261933.41  2316.68 260688.20  3264.50 263196.81  3288.19  949.885   5.9511  954.444   5.9657 -0.000000 0.000000 
1 1 1    0    9  -10 o  253.581   1.3104 18573.42  191.881 18688.79  270.758 18457.01  271.968  254.373   1.8432  252.790   1.8631 -0.000000 0.000000 
1 1 1    0   10  -10 o  549.757   2.4842 87308.36  788.548 87951.54  1106.98 86645.79  1123.55  551.815   3.4738  547.700   3.5523 -0.000000 0.000000 
1 1 1    0   11  -10 o   81.257   1.5556  1932.09   69.414  1983.24   86.576  1840.04  116.147   82.812   1.8121   79.702   2.5290 -0.000000 0.000000 
1 1 1    0   12  -10 o  141.545   1.2464  5782.69   97.719  5808.64  163.253  5768.20  121.986  141.783   1.9946  141.308   1.4951 -0.000000 0.000000 
1 1 1    0   13  -10 o  304.470   1.8537 26732.46  309.353 26635.59  381.232 26919.21  529.338  303.677   2.1739  305.263   3.0031 -0.000000 0.000000 
1 1 1    0   14  -10 o   90.052   1.6562  2327.60   85.048  2469.46  131.968  2226.82  111.227   92.373   2.4777   87.730   2.1983 -0.000000 0.000000 
1 1 1    0   15  -10 o  456.506   2.0993 60177.15  553.307 60840.58  792.388 59545.86  772.961  458.961   2.9896  454.052   2.9479 -0.000000 0.000000 
1 1 1    0   16  -10 o  242.980   1.5951 17007.58  211.438 16913.11  259.152 17195.67  365.675  241.986   1.8545  243.975   2.5958 -0.000000 0.000000 
1 1 1    0   17  -10 o  276.883   1.7899 22114.33  265.723 22228.96  474.465 22061.95  320.742  277.390   2.9624  276.377   2.0097 -0.000000 0.000000 
1 1 1    0   18  -10 o  700.410   3.7939 141208.00  1450.09 140148.00  1776.96 143320.91  2508.88  696.542   4.4176  704.279   6.1691 -0.000000 0.000000 
1 1 1    0   19  -10 o   62.913   2.9315  1193.49  101.505  1335.48  132.800  993.992  157.418   67.744   3.4140   58.083   4.7665 -0.000000 0.000000 
1 1 1    0   20  -10 o  420.329   2.8032 51025.00  680.246 52231.58  972.255 49867.94  952.089  425.197   3.9600  415.461   3.9687 -0.000000 0.000000 
1 1 1    0   21  -10 o   93.767   2.5056  2586.38  133.261  2242.17  196.671  2878.57  181.199   87.849   3.8937   99.685   3.1545 -0.000000 0.000000 
1 1 1    0   22  -10 o  268.085   2.0462 20744.70  316.399 22119.55  454.474 19451.61  440.752  276.702   2.8446  259.469   2.9420 -0.000000 0.000000 
1 1 1    0   23  -10 o  867.611   5.3754 217610.20  2692.60 223089.20  3841.84 212320.50  3774.87  878.348   7.5746  856.873   7.6292 -0.000000 0.000000 
1 1 1    0   24  -10 o  525.364   3.4198 79754.90  1037.09 79317.73  1445.96 80218.03  1488.30  523.886   4.7799  526.842   4.8922 -0.000000 0.000000 
1 1 1    0   25  -10 o  390.592   3.7330 44085.03  841.924 44085.03  841.924   0.0000   0.0000  390.592   3.7330  390.592   3.7330 -0.000000 0.000000 
1 1 1    0   26  -10 o   49.456   5.4500  732.341  150.844  732.341  150.844   0.0000   0.0000   49.456   5.4500   49.456   5.4500 -0.000000 0.000000 
1 1 1    0   27  -10 o  155.012   1.9917  6946.23  177.758  6924.22  243.037  6971.54  260.665  154.754   2.7211  155.269   2.9091 -0.000000 0.000000 
1 1 1    0   28  -10 o  130.719   2.2386  4894.23  167.114  4606.15  218.911  5296.58  258.715  126.162   3.0082  135.275   3.3160 -0.000000 0.000000 
1 1 1    0   29  -10 o  289.859   3.1936 24284.79  534.481   0.0000   0.0000 24284.79  534.481  289.859   3.1936  289.859   3.1936 -0.000000 0.000000 
1 1 1    0   30  -10 o   9.4012   6.7856 -350.4394  188.236   0.0000   0.0000 -350.4394  188.236   9.4012   6.7856   9.4012   6.7856 -0.000000 0.000000 
1 1 1    0   31  -10 o  105.430   2.6615  3277.08  158.103  3531.43  208.596  2933.71  242.366  110.395   3.2782  100.465   4.1937 -0.000000 0.000000 
1 1 1    0   32  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   33  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   34  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   35  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   36  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   37  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   38  -10 o  172.352   2.2709  8590.85  225.770  8342.96  313.620  8857.51  325.273  169.772   3.2011  174.932   3.2220 -0.000000 0.000000 
1 1 1    0   39  -10 o  182.971   2.2459  9685.89  237.014  9561.69  328.474  9820.79  342.332  181.753   3.1313  184.189   3.2203 -0.000000 0.000000 
1 1 1    0   40  -10 o  175.671   2.2713  8921.86  230.038  8612.90  316.850  9266.24  334.513  172.462   3.1835  178.881   3.2403 -0.000000 0.000000 
1 1 1    0   41  -10 o  256.062   2.2254 18963.87  328.625 18617.91  452.403 19350.34  478.157  253.602   3.0898  258.521   3.2036 -0.000000 0.000000 
1 1 1    0   42  -10 o   52.024   7.1944  967.053  171.633  1340.62  234.315  534.575  252.113   66.974   6.1786   37.073   12.995 -0.000000 0.000000 
1 1 1    0   43  -10 o   27.857   7.3870  218.981  165.815 -135.6568  225.308  638.015  244.911   13.385   9.1656   42.328   11.587 -0.000000 0.000000 
1 1 1    0   44  -10 o  109.120   2.9241  3451.74  181.455  2777.12  245.929  4257.84  268.829   97.376   4.3933  120.863   3.8601 -0.000000 0.000000 
1 1 1    0   45  -10 o  102.004   4.9552  3065.81  290.349   0.0000   0.0000  3065.81  290.349  102.004   4.9552  102.004   4.9552 -0.000000 0.000000 
1 1 1    0   46  -10 o   8.9882   6.6206 -703.7869  246.081   0.0000   0.0000 -703.7869  246.081   8.9882   6.6206   8.9882   6.6206 -0.000000 0.000000 
1 1 1    0   47  -10 o   80.977   5.6108  1970.22  259.513   0.0000   0.0000  1970.22  259.513   80.977   5.6108   80.977   5.6108 -0.000000 0.000000 
1 1 1    0   48  -10 o   47.889   5.9863  713.983  158.571   0.0000   0.0000  713.983  158.571   47.889   5.9863   47.889   5.9863 -0.000000 0.000000 
1 1 1    0   49  -10 o   15.986   9.4591  102.416  150.640   0.0000   0.0000  102.416  150.640   15.986   9.4591   15.986   9.4591 -0.000000 0.000000 
1 1 1    0   50  -10 o   30.586   9.7637  365.906  151.975   0.0000   0.0000  365.906  151.975   30.586   9.7637   30.586   9.7637 -0.000000 0.000000 
1 1 1    0   51  -10 o   22.206   11.080  246.529  172.957   0.0000   0.0000  246.529  172.957   22.206   11.080   22.206   11.080 -0.000000 0.000000 
1 1 1    0    0  -11 o   33.064   3.5673  334.097   62.996  313.551   83.468  361.288   96.023   31.891   4.8686   34.237   5.2152 -0.000000 0.000000 
1 1 1    0    1  -11 o  421.909   2.6514 51421.57  645.932 51100.84  908.126 51749.98  918.941  420.578   3.7393  423.241   3.7600 -0.000000 0.000000 
1 1 1    0    2  -11 o   45.004   2.2969  587.495   56.810  618.045   94.877  570.419   70.932   45.831   3.6371   44.177   2.8060 -0.000000 0.000000 
1 1 1    0    3  -11 o  139.132   1.5298  5597.10  122.608  5638.77  168.445  5550.15  178.805  139.687   2.0890  138.577   2.2354 -0.000000 0.000000 
1 1 1    0    4  -11 o   31.892   4.0517  307.688   71.344   0.0000   0.0000  307.688   71.344   31.892   4.0517   31.892   4.0517 -0.000000 0.000000 
1 1 1    0    5  -11 o  824.217   3.6307 196255.30  1727.67 196221.50  2472.57 196287.50  2415.03  824.144   5.1952  824.291   5.0733 -0.000000 0.000000 
1 1 1    0    6  -11 o  137.603   1.5427  5473.30  122.495  5619.99  173.150  5326.33  173.320  139.452   2.1510  135.754   2.2119 -0.000000 0.000000 
1 1 1    0    7  -11 o  674.360   2.9864 131362.00  1163.02 130909.00  1644.24 131815.59  1645.26  673.196   4.2294  675.524   4.2174 -0.000000 0.000000 
1 1 1    0    8  -11 o  181.878   1.3637  9590.82  136.314  9442.15  230.569  9670.71  169.015  180.780   2.2091  182.977   1.5996 -0.000000 0.000000 
1 1 1    0    9  -11 o  113.506   1.6888  3726.72  110.552  3774.35  154.799  3677.13  157.937  114.251   2.3482  112.762   2.4277 -0.000000 0.000000 
1 1 1    0   10  -11 o  126.070   1.3265  4588.61   91.381  4605.84  157.121  4579.81  112.334  126.235   2.1565  125.905   1.5454 -0.000000 0.000000 
1 1 1    0   11  -11 o  533.291   2.9373 82067.61  858.764 82424.48  1468.03 81881.96  1058.83  534.145   4.7596  532.437   3.4436 -0.000000 0.000000 
1 1 1    0   12  -11 o  520.478   2.9463 78346.45  844.937 78565.84  1049.07 77941.31  1425.55  521.542   3.4832  519.413   4.7530 -0.000000 0.000000 
1 1 1    0   13  -11 o  934.420   4.1910 252303.00  2260.19 250285.30  3246.49 254200.80  3148.53  930.786   6.0398  938.054   5.8121 -0.000000 0.000000 
1 1 1    0   14  -11 o   7.2219   3.5803 -85.3634   56.482 -60.9309   73.039 -121.7090   89.084   7.3029   5.0549   7.1408   5.0717 -0.000000 0.000000 
1 1 1    0   15  -11 o  446.660   2.0532 57619.54  529.503 57797.09  756.367 57448.88  741.515  447.334   2.9279  445.986   2.8791 -0.000000 0.000000 
1 1 1    0   16  -11 o  404.854   1.9011 47340.82  444.473 47110.99  627.817 47571.77  629.345  403.869   2.6919  405.839   2.6853 -0.000000 0.000000 
1 1 1    0   17  -11 o  131.076   1.4119  4984.90  100.687  5025.18  123.545  4905.21  173.750  131.885   1.6225  130.267   2.3111 -0.000000 0.000000 
1 1 1    0   18  -11 o  102.818   2.0577  3072.95  120.815  3159.88  161.530  2962.57  182.016  104.499   2.6804  101.138   3.1228 -0.000000 0.000000 
1 1 1    0   19  -11 f  201.627   1.7284 11751.86  199.628 11795.95  266.458 11695.46  301.394  202.065   2.2839  201.189   2.5948 -0.000000 0.000000 
1 1 1    0   20  -11 o  142.164   1.8847  5846.43  154.382  5908.76  213.139  5777.64  223.917  142.968   2.5832  141.361   2.7450 -0.000000 0.000000 
1 1 1    0   21  -11 o  780.604   4.9379 176125.09  2225.64 178123.00  3166.48 174174.30  3128.92  784.979   6.9857  776.229   6.9807 -0.000000 0.000000 
1 1 1    0   22  -11 o  204.262   1.8982 12046.64  223.595 12873.98  320.843 11265.41  311.774  211.081   2.6328  197.442   2.7353 -0.000000 0.000000 
1 1 1    0   23  -11 o  331.274   2.3846 31709.32  455.984 32760.48  647.277 30673.73  642.467  336.728   3.3291  325.819   3.4150 -0.000000 0.000000 
1 1 1    0   24  -11 o  453.845   3.0339 59532.68  794.791 59831.77  1111.06 59219.23  1137.41  455.018   4.2287  452.672   4.3515 -0.000000 0.000000 
1 1 1    0   25  -11 o  298.740   2.2693 25823.78  390.891 27002.16  548.048 24603.60  557.684  305.695   3.1049  291.785   3.3103 -0.000000 0.000000 
1 1 1    0   26  -11 f  483.298   4.4631 67518.17  1245.54 67518.17  1245.54   0.0000   0.0000  483.298   4.4631  483.298   4.4631 -0.000000 0.000000 
1 1 1    0   27  -11 o  239.981   2.0840 16617.26  288.389 15498.68  399.734 17831.47  416.469  231.566   2.9900  248.397   2.9039 -0.000000 0.000000 
1 1 1    0   28  -11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   29  -11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   30  -11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   31  -11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   32  -11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   33  -11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   34  -11 o   10.357   5.2877 -406.9436  154.884 -287.1435  228.822 -508.2424  210.412   11.673   8.2599   9.0407   6.6042 -0.000000 0.000000 
1 1 1    0   35  -11 o  246.867   2.2032 17613.69  313.899 16977.72  438.249 18283.68  449.819  242.290   3.1330  251.445   3.0985 -0.000000 0.000000 
1 1 1    0   36  -11 o  100.706   3.0972  2995.53  176.486  2499.76  256.538  3440.99  243.177   92.548   4.8295  108.865   3.8789 -0.000000 0.000000 
1 1 1    0   37  -11 o   98.144   3.3564  2797.19  188.404  2460.24  258.329  3180.07  275.374   91.780   4.9055  104.509   4.5824 -0.000000 0.000000 
1 1 1    0   38  -11 o  296.649   2.4048 25469.42  411.722 25761.35  576.292 25165.06  588.424  298.396   3.3449  294.902   3.4559 -0.000000 0.000000 
1 1 1    0   39  -11 o  243.422   2.2573 17162.45  316.705 17439.39  437.668 16858.04  458.860  245.503   3.0879  241.341   3.2934 -0.000000 0.000000 
1 1 1    0   40  -11 o   51.536   7.0921  996.739  182.844  234.947  250.519  1865.13  267.473   23.609   12.898   79.462   5.9031 -0.000000 0.000000 
1 1 1    0   41  -11 f  203.357   2.2436 12000.02  262.688 12339.78  362.072 11622.43  381.700  206.429   3.0384  200.284   3.3018 -0.000000 0.000000 
1 1 1    0   42  -11 o   76.261   4.2377  1719.64  181.277  1378.66  247.164  2116.59  266.677   67.805   6.4454   84.718   5.5036 -0.000000 0.000000 
1 1 1    0   43  -11 o   46.401   7.4802  729.253  174.013  723.113  235.574  736.627  258.157   46.551   9.9788   46.251   11.146 -0.000000 0.000000 
1 1 1    0   44  -11 o   36.350   9.2572  535.555  181.888  447.105  258.052  622.885  256.413   31.977   13.682   40.724   12.473 -0.000000 0.000000 
1 1 1    0   45  -11 f   37.017   7.7062  546.669  181.831  920.083  257.163  173.339  257.133   53.143   9.2072   20.892   12.360 -0.000000 0.000000 
1 1 1    0   46  -11 o   38.837   7.2376  558.851  173.714  165.883  231.533  1064.95  262.756   20.009   11.780   57.665   8.4126 -0.000000 0.000000 
1 1 1    0   47  -11 o   96.989   5.0178  2799.07  279.355   0.0000   0.0000  2799.07  279.355   96.989   5.0178   96.989   5.0178 -0.000000 0.000000 
1 1 1    0   48  -11 o  116.951   4.3123  4040.03  290.374   0.0000   0.0000  4040.03  290.374  116.951   4.3123  116.951   4.3123 -0.000000 0.000000 
1 1 1    0   49  -11 o   69.445   6.9252  1505.80  271.413   0.0000   0.0000  1505.80  271.413   69.445   6.9252   69.445   6.9252 -0.000000 0.000000 
1 1 1    0   50  -11 o   67.211   4.3108  1351.28  165.753   0.0000   0.0000  1351.28  165.753   67.211   4.3108   67.211   4.3108 -0.000000 0.000000 
1 1 1    0   51  -11 o   41.903   8.6088  611.503  184.073   0.0000   0.0000  611.503  184.073   41.903   8.6088   41.903   8.6088 -0.000000 0.000000 
1 1 1    0    0  -12 o  867.455   5.4657 217423.59  2737.54 218035.30  3848.73 216797.20  3894.60  868.694   7.6726  866.216   7.7863 -0.000000 0.000000 
1 1 1    0    1  -12 o   53.847   2.6458  852.294   81.065  800.047  117.016  900.509  112.409   52.191   3.9334   55.503   3.5397 -0.000000 0.000000 
1 1 1    0    2  -12 o  546.625   3.0351 86175.38  900.563 86733.91  1571.51 85902.27  1098.90  547.907   4.9671  545.344   3.4893 -0.000000 0.000000 
1 1 1    0    3  -12 o   91.246   1.1384  2406.28   59.819  2402.38   81.926  2410.73   87.548   91.169   1.5570   91.322   1.6612 -0.000000 0.000000 
1 1 1    0    4  -12 o  179.047   1.3320  9232.92  131.232  9352.57  222.984  9169.52  162.320  179.922   2.1466  178.172   1.5777 -0.000000 0.000000 
1 1 1    0    5  -12 o  120.903   1.5430  4218.52  107.412  4322.71  158.149  4129.31  146.345  122.285   2.2410  119.522   2.1216 -0.000000 0.000000 
1 1 1    0    6  -12 o  162.427   1.0962  7620.38  102.779  7636.19  147.311  7605.38  143.468  162.590   1.5691  162.263   1.5312 -0.000000 0.000000 
1 1 1    0    7  -12 o  306.264   1.8301 26955.42  305.318 27507.89  530.849 26682.32  373.227  308.584   2.9792  303.944   2.1264 -0.000000 0.000000 
1 1 1    0    8  -12 o  582.034   2.6051 97841.51  875.603 98904.11  1243.94 96797.99  1232.72  585.166   3.6811  578.901   3.6873 -0.000000 0.000000 
1 1 1    0    9  -12 f   43.598   3.1331  564.834   76.640  513.050  106.113  621.306  110.812   41.404   4.5807   45.792   4.2756 -0.000000 0.000000 
1 1 1    0   10  -12 o   89.060   1.6624  2298.22   84.999  2262.80  125.691  2328.06  115.384   88.416   2.4658   89.703   2.2303 -0.000000 0.000000 
1 1 1    0   11  -12 o  139.354   1.4146  5662.62  108.107  5445.10  182.456  5780.29  134.200  137.257   2.3031  141.451   1.6432 -0.000000 0.000000 
1 1 1    0   12  -12 f  521.804   2.8915 78700.52  815.569 78790.74  992.324 78512.72  1431.66  522.294   3.2900  521.313   4.7560 -0.000000 0.000000 
1 1 1    0   13  -12 o  551.734   2.5351 87941.91  807.375 87334.95  1156.95 88518.10  1127.23  549.875   3.6434  553.592   3.5259 -0.000000 0.000000 
1 1 1    0   14  -12 o  976.680   4.3902 275588.19  2473.10 275547.81  3587.78 275624.81  3413.69  976.601   6.3616  976.759   6.0519 -0.000000 0.000000 
1 1 1    0   15  -12 o  297.029   1.8406 25637.57  298.470 25961.76  367.784 25012.18  510.816  299.811   2.1243  294.247   3.0066 -0.000000 0.000000 
1 1 1    0   16  -12 o  1143.79   6.2466 377414.19  3932.66 375721.69  4868.24 380592.91  6671.99  1140.27   7.3930  1147.30   10.071 -0.000000 0.000000 
1 1 1    0   17  -12 o  260.310   1.7681 19701.73  247.706 19931.15  301.038 19220.74  435.891  262.689   1.9845  257.931   2.9270 -0.000000 0.000000 
1 1 1    0   18  -12 o  802.880   4.4130 186242.30  1940.26 186179.09  2390.58 186364.20  3321.34  802.766   5.1567  802.994   7.1630 -0.000000 0.000000 
1 1 1    0   19  -12 o  364.494   2.1480 38356.02  434.968 38459.15  721.786 38297.21  545.058  364.862   3.4259  364.126   2.5921 -0.000000 0.000000 
1 1 1    0   20  -12 o  290.914   2.2134 24445.33  371.842   0.0000   0.0000 24445.33  371.842  290.914   2.2134  290.914   2.2134 -0.000000 0.000000 
1 1 1    0   21  -12 o  664.798   4.7181 127075.10  1794.50 132723.80  2754.64 122910.60  2365.24  677.523   7.0414  652.072   6.2818 -0.000000 0.000000 
1 1 1    0   22  -12 o   99.223   2.8072  2849.77  160.038  2655.06  220.208  3067.75  232.988   95.620   4.0035  102.827   3.9363 -0.000000 0.000000 
1 1 1    0   23  -12 o  164.863   2.0678  7887.14  196.007  8433.14  272.637  7303.04  281.991  170.806   2.7654  158.920   3.0750 -0.000000 0.000000 
1 1 1    0   24  -12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   25  -12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   26  -12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   27  -12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   28  -12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   29  -12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   30  -12 o  147.212   3.4327  6273.98  291.498   0.0000   0.0000  6273.98  291.498  147.212   3.4327  147.212   3.4327 -0.000000 0.000000 
1 1 1    0   31  -12 o  115.913   2.4980  3875.99  165.351  3204.26  225.771  4653.16  242.846  105.077   3.7309  126.748   3.3226 -0.000000 0.000000 
1 1 1    0   32  -12 o  350.699   2.5804 35559.70  522.349 35130.90  727.786 36015.25  750.146  348.523   3.6165  352.875   3.6817 -0.000000 0.000000 
1 1 1    0   33  -12 o   39.418   12.739  575.048  256.246   0.0000   0.0000  575.048  256.246   39.418   12.739   39.418   12.739 -0.000000 0.000000 
1 1 1    0   34  -12 o  133.849   3.8365  5193.86  296.024   0.0000   0.0000  5193.86  296.024  133.849   3.8365  133.849   3.8365 -0.000000 0.000000 
1 1 1    0   35  -12 o  193.996   2.1413 10891.69  239.610 11056.19  334.177 10717.64  343.744  195.513   2.9610  192.480   3.0940 -0.000000 0.000000 
1 1 1    0   36  -12 o  210.459   2.1995 12772.84  266.617 12242.33  362.619 13397.12  393.362  205.721   3.0535  215.197   3.1665 -0.000000 0.000000 
1 1 1    0   37  -12 o   91.294   3.3196  2426.43  172.213  2000.07  236.451  2908.09  251.320   82.644   4.9957   99.945   4.3730 -0.000000 0.000000 
1 1 1    0   38  -12 o   86.282   3.7157  2190.34  182.660  2081.78  267.513  2285.16  250.014   84.174   5.5584   88.391   4.9326 -0.000000 0.000000 
1 1 1    0   39  -12 o  270.374   2.3441 21147.86  365.755 20294.70  511.245 22042.34  523.484  264.783   3.3443  275.965   3.2855 -0.000000 0.000000 
1 1 1    0   40  -12 o  109.247   3.0159  3468.16  188.621  3974.38  273.592  3009.60  260.398  116.905   4.0633  101.588   4.4577 -0.000000 0.000000 
1 1 1    0   41  -12 o  138.527   2.6545  5565.98  211.628  5453.88  289.349  5694.92  310.324  137.045   3.6616  140.008   3.8443 -0.000000 0.000000 
1 1 1    0   42  -12 o   30.698   6.4112  239.643  168.751  797.421  245.230 -262.0406  232.572   49.413   9.6455   11.982   8.4487 -0.000000 0.000000 
1 1 1    0   43  -12 o   91.750   3.6696  2526.49  189.069  2852.18  255.901  2135.00  280.565   98.668   4.5122   84.832   5.7884 -0.000000 0.000000 
1 1 1    0   44  -12 o   26.983   9.3881  338.134  178.691  390.289  240.161  273.452  267.452   29.536   13.220   24.431   13.333 -0.000000 0.000000 
1 1 1    0   45  -12 o   46.395   7.7649  747.880  179.883  590.374  241.069  945.752  270.201   39.295   12.137   53.496   9.6883 -0.000000 0.000000 
1 1 1    0   46  -12 o   69.180   5.0165  1535.29  182.997  1855.55  246.479  1141.92  273.167   78.653   5.4874   59.707   8.3993 -0.000000 0.000000 
1 1 1    0   47  -12 o   29.096   6.7406  267.042  180.541  745.310  240.039 -355.9315  273.956   46.072   10.333   12.120   8.6582 -0.000000 0.000000 
1 1 1    0   48  -12 o  116.997   4.4899  4053.81  302.371   0.0000   0.0000  4053.81  302.371  116.997   4.4899  116.997   4.4899 -0.000000 0.000000 
1 1 1    0   49  -12 o   98.305   5.2034  2902.72  293.533   0.0000   0.0000  2902.72  293.533   98.305   5.2034   98.305   5.2034 -0.000000 0.000000 
1 1 1    0   50  -12 o   82.524   6.1283  2098.01  288.378   0.0000   0.0000  2098.01  288.378   82.524   6.1283   82.524   6.1283 -0.000000 0.000000 
1 1 1    0    0  -13 o   53.200   2.4927  827.117   75.421  939.478  108.995  723.888  104.472   56.741   3.3528   49.659   3.6895 -0.000000 0.000000 
1 1 1    0    1  -13 o  1123.31   5.9755 363736.00  3669.54 367571.91  6318.88 361784.09  4507.49  1127.63   9.7043  1119.00   6.9752 -0.000000 0.000000 
1 1 1    0    2  -13 o   21.779   6.4977  191.977   84.687  238.046  122.684  150.046  117.045   24.767   9.2194   18.791   9.1588 -0.000000 0.000000 
1 1 1    0    3  -13 o  713.072   3.1819 146875.09  1310.30 147344.50  1854.77 146407.50  1851.33  714.209   4.4970  711.934   4.5030 -0.000000 0.000000 
1 1 1    0    4  -13 o   60.446   2.3529  1061.98   81.426  1020.90  111.155  1109.55  119.618   59.186   3.2747   61.707   3.3796 -0.000000 0.000000 
1 1 1    0    5  -13 o   84.255   1.6582  2048.67   77.485  2077.21  128.902  2032.53   96.958   84.687   2.6413   83.823   2.0054 -0.000000 0.000000 
1 1 1    0    6  -13 o  174.717   1.3839  8886.88  132.125  9034.83  163.159  8605.05  225.193  176.858   1.5976  172.575   2.2603 -0.000000 0.000000 
1 1 1    0    7  -13 o  563.133   2.5418 91595.97  826.586 91550.05  1171.81 91641.45  1166.15  562.992   3.6042  563.274   3.5850 -0.000000 0.000000 
1 1 1    0    8  -13 o   93.785   1.5631  2524.37   81.651  2619.71  135.398  2469.89  102.357   95.148   2.4677   92.422   1.9195 -0.000000 0.000000 
1 1 1    0    9  -13 o  533.864   2.3956 82319.99  738.553 81976.70  1043.04 82665.16  1045.91  532.748   3.3903  534.980   3.3854 -0.000000 0.000000 
1 1 1    0   10  -13 o  230.320   1.5360 15269.00  192.369 15163.36  234.939 15483.90  335.093  229.127   1.7756  231.513   2.5068 -0.000000 0.000000 
1 1 1    0   11  -13 f  1012.37   4.4120 296080.09  2579.34 299499.69  3658.87 292701.69  3636.71  1018.19   6.2226  1006.56   6.2563 -0.000000 0.000000 
1 1 1    0   12  -13 o   11.847   4.8635   27.244   60.728   94.089   86.233 -38.5230   85.535   14.950   7.7410   8.7436   5.8898 -0.000000 0.000000 
1 1 1    0   13  -13 o  304.246   2.2240 26780.41  388.323 26375.56  579.837 27109.67  522.908  302.150   3.3237  306.342   2.9561 -0.000000 0.000000 
1 1 1    0   14  -13 o  865.889   4.5823 216301.80  2164.59 217650.91  3739.48 215622.00  2654.52  867.835   7.4621  863.942   5.3205 -0.000000 0.000000 
1 1 1    0   15  -13 o  394.133   2.7244 44868.11  620.077   0.0000   0.0000 44868.11  620.077  394.133   2.7244  394.133   2.7244 -0.000000 0.000000 
1 1 1    0   16  -13 o  422.893   2.9488 51652.16  718.048 51891.01  1056.87 51447.38  978.590  423.793   4.3190  421.992   4.0161 -0.000000 0.000000 
1 1 1    0   17  -13 o  1786.88   11.654 924642.88 11995.15 937031.31 17640.66 913989.19 16359.14  1797.79   16.993  1775.96   15.952 -0.000000 0.000000 
1 1 1    0   18  -13 o  663.793   4.5856 127032.70  1737.30 129426.30  2679.06 125295.80  2282.19  669.135   6.9341  658.452   6.0024 -0.000000 0.000000 
1 1 1    0   19  -13 o  148.780   2.0541  6396.23  176.425   0.0000   0.0000  6396.23  176.425  148.780   2.0541  148.780   2.0541 -0.000000 0.000000 
1 1 1    0   20  -13 o  259.648   2.0779 19473.44  311.553 19473.44  311.553   0.0000   0.0000  259.648   2.0779  259.648   2.0779 -0.000000 0.000000 
1 1 1    0   21  -13 o  294.107   2.9803 24991.01  506.112   0.0000   0.0000 24991.01  506.112  294.107   2.9803  294.107   2.9803 -0.000000 0.000000 
1 1 1    0   22  -13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   23  -13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   24  -13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   25  -13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   26  -13 o  353.342   3.5317 36085.90  720.562 36085.90  720.562   0.0000   0.0000  353.342   3.5317  353.342   3.5317 -0.000000 0.000000 
1 1 1    0   27  -13 o  128.597   3.0930  4786.32  229.421  4786.32  229.421   0.0000   0.0000  128.597   3.0930  128.597   3.0930 -0.000000 0.000000 
1 1 1    0   28  -13 o   24.160   7.2789  145.971  143.421 -113.8010  191.902  474.661  215.861   12.559   8.5625   35.761   11.773 -0.000000 0.000000 
1 1 1    0   29  -13 o  116.218   2.4999  3911.89  166.617  3885.98  224.400  3943.72  248.740  115.809   3.3614  116.627   3.7013 -0.000000 0.000000 
1 1 1    0   30  -13 o  295.070   3.3235 25175.22  566.212   0.0000   0.0000 25175.22  566.212  295.070   3.3235  295.070   3.3235 -0.000000 0.000000 
1 1 1    0   31  -13 o  134.975   2.1729  5307.65  168.073  4756.05  242.443  5818.01  233.207  128.146   3.2807  141.803   2.8501 -0.000000 0.000000 
1 1 1    0   32  -13 o  129.997   2.5667  4805.51  190.388  4261.83  248.541  5577.57  296.177  121.255   3.5560  138.738   3.7023 -0.000000 0.000000 
1 1 1    0   33  -13 o  284.499   2.3226 23409.49  381.442 23541.89  535.478 23273.10  543.492  285.320   3.2505  283.677   3.3183 -0.000000 0.000000 
1 1 1    0   34  -13 f  174.030   2.2486  8798.26  224.887  9544.41  314.385  8016.38  321.822  181.643   2.9986  166.417   3.3514 -0.000000 0.000000 
1 1 1    0   35  -13 o   84.947   4.0631  2212.57  187.345  2556.95  244.743  1725.22  291.149   93.663   4.5488   76.232   6.7338 -0.000000 0.000000 
1 1 1    0   36  -13 o  463.497   3.2434 62213.95  868.037 61904.59  1225.26 62525.66  1229.93  462.340   4.5896  464.655   4.5842 -0.000000 0.000000 
1 1 1    0   37  -13 o   49.403   7.4153  912.445  172.082  1368.78  237.014  403.734  250.246   67.850   6.1654   30.955   13.488 -0.000000 0.000000 
1 1 1    0   38  -13 o   53.198   7.7211  1197.03  182.817  1719.10  234.792  393.129  291.352   76.421   5.3809   29.974   14.474 -0.000000 0.000000 
1 1 1    0   39  -13 o   74.430   4.0953  1628.81  172.938  1463.94  235.074  1823.30  255.322   70.247   5.8894   78.613   5.6921 -0.000000 0.000000 
1 1 1    0   40  -13 o   33.685   7.6254  462.123  165.120  709.835  220.917  148.576  248.546   46.766   9.1920   20.604   12.170 -0.000000 0.000000 
1 1 1    0   41  -13 o  106.470   2.9451  3319.02  179.142  3440.18  242.027  3172.21  266.415  108.708   3.8660  104.232   4.4440 -0.000000 0.000000 
1 1 1    0   42  -13 f   74.640   4.6167  1689.92  192.255  1830.84  258.653  1515.93  287.393   78.533   5.7745   70.747   7.2049 -0.000000 0.000000 
1 1 1    0   43  -13 o  150.525   2.5931  6605.29  223.894  6696.88  302.512  6494.34  332.940  151.749   3.4557  149.300   3.8670 -0.000000 0.000000 
1 1 1    0   44  -13 o   24.174   9.3069  259.670  185.701  185.615  249.601  351.479  277.915   21.168   12.337   27.179   13.938 -0.000000 0.000000 
1 1 1    0   45  -13 o   32.219   9.7617  464.549  186.415  396.346  249.980  549.991  279.794   29.076   13.469   35.361   14.133 -0.000000 0.000000 
1 1 1    0   46  -13 o  147.301   2.6293  6338.02  222.630  6165.94  301.213  6545.22  330.516  145.164   3.5977  149.438   3.8352 -0.000000 0.000000 
1 1 1    0   47  -13 o  106.874   3.3258  3358.48  203.384  3059.54  271.992  3737.63  306.314  101.526   4.6610  112.222   4.7454 -0.000000 0.000000 
1 1 1    0   48  -13 o   84.545   4.2580  2147.83  198.089  1510.33  264.663  2959.82  298.696   69.738   6.7140   99.353   5.2388 -0.000000 0.000000 
1 1 1    0   49  -13 o   26.829   9.0938  326.194  201.616  611.183  284.701   39.490  285.557   36.337   14.197   17.322   11.369 -0.000000 0.000000 
1 1 1    0   50  -13 o   77.958   6.7820  1909.60  300.038   0.0000   0.0000  1909.60  300.038   77.958   6.7820   77.958   6.7820 -0.000000 0.000000 
1 1 1    0    0  -14 o  1847.55   16.393 986994.69 17488.97   0.0000   0.0000 986994.69 17488.97  1847.55   16.393  1847.55   16.393 -0.000000 0.000000 
1 1 1    0    1  -14 o  174.559   1.1802  8800.76  118.926  8761.83  166.155  8841.66  170.294  174.163   1.6522  174.954   1.6857 -0.000000 0.000000 
1 1 1    0    2  -14 o  648.506   3.6464 121336.20  1272.54 121931.40  2256.85 121058.70  1540.84  649.623   6.0164  647.388   4.1214 -0.000000 0.000000 
1 1 1    0    3  -14 o   65.097   2.6421  1231.52   98.383  1339.37  143.795  1136.60  134.901   67.799   3.6974   62.394   3.7753 -0.000000 0.000000 
1 1 1    0    4  -14 o  566.853   2.5763 92809.41  843.333 93464.32  1194.43 92158.37  1190.89  568.848   3.6360  564.858   3.6508 -0.000000 0.000000 
1 1 1    0    5  -14 o   17.085   6.2012  110.890   83.374   48.682  114.443  181.246  121.709   13.369   8.0792   20.801   9.4099 -0.000000 0.000000 
1 1 1    0    6  -14 o  893.807   3.9354 230786.30  2031.25 231487.09  2862.54 230075.50  2882.81  895.176   5.5373  892.438   5.5936 -0.000000 0.000000 
1 1 1    0    7  -14 o   57.579   2.4609  959.927   78.969  934.297  100.138  1002.08  128.423   56.628   3.0827   58.530   3.8369 -0.000000 0.000000 
1 1 1    0    8  -14 o  579.421   2.6136 96969.82  874.533 96225.03  1234.07 97721.16  1239.50  577.186   3.7024  581.657   3.6901 -0.000000 0.000000 
1 1 1    0    9  -14 o  201.533   1.4604 11811.38  160.986 11983.07  198.891 11485.18  274.143  203.684   1.6910  199.383   2.3815 -0.000000 0.000000 
1 1 1    0   10  -14 o  222.247   1.5556 14271.12  189.566 14259.42  323.444 14277.25  233.961  222.166   2.5215  222.328   1.8223 -0.000000 0.000000 
1 1 1    0   11  -14 o   77.026   2.6880  1719.64  119.249  1719.64  119.249   0.0000   0.0000   77.026   2.6880   77.026   2.6880 -0.000000 0.000000 
1 1 1    0   12  -14 f  158.910   1.5176  7257.66  133.197  7428.86  224.952  7165.23  165.286  160.333   2.4306  157.487   1.8178 -0.000000 0.000000 
1 1 1    0   13  -14 o  276.883   2.1232 22143.78  338.327 22203.13  499.426 22093.44  459.943  277.220   3.1202  276.544   2.8804 -0.000000 0.000000 
1 1 1    0   14  -14 o  184.872   1.7686  9873.78  188.740 10028.90  269.054  9723.50  264.832  186.302   2.5016  183.441   2.5008 -0.000000 0.000000 
1 1 1    0   15  -14 o  465.349   2.9243 61969.68  695.193 63830.07  1355.26 61305.36  809.859  469.998   4.9940  460.701   3.0440 -0.000000 0.000000 
1 1 1    0   16  -14 o  215.347   1.9583 13395.20  240.178 13426.67  371.641 13372.63  314.733  215.554   2.9866  215.140   2.5338 -0.000000 0.000000 
1 1 1    0   17  -14 o  179.018   2.4076  9260.24  248.819  9260.24  248.819   0.0000   0.0000  179.018   2.4076  179.018   2.4076 -0.000000 0.000000 
1 1 1    0   18  -14 o   70.279   2.7924  1432.94  110.867  1134.19  150.896  1783.41  163.433   62.231   4.2437   78.326   3.6306 -0.000000 0.000000 
1 1 1    0   19  -14 o  145.301   1.8804  6125.70  156.764  5872.85  231.784  6338.88  212.824  142.514   2.8185  148.087   2.4900 -0.000000 0.000000 
1 1 1    0   20  -14 o  179.972   2.4721  9359.87  256.849   0.0000   0.0000  9359.87  256.849  179.972   2.4721  179.972   2.4721 -0.000000 0.000000 
1 1 1    0   21  -14 o   27.465   10.198  292.790  150.301   0.0000   0.0000  292.790  150.301   27.465   10.198   27.465   10.198 -0.000000 0.000000 
1 1 1    0   22  -14 o  322.064   2.2991 29965.56  427.129 29836.83  590.587 30106.73  618.482  321.343   3.1829  322.785   3.3184 -0.000000 0.000000 
1 1 1    0   23  -14 o  382.342   2.6368 42230.61  582.193   0.0000   0.0000 42230.61  582.193  382.342   2.6368  382.342   2.6368 -0.000000 0.000000 
1 1 1    0   24  -14 o  402.578   2.2891 46736.14  513.061 47183.60  848.513 46478.25  644.157  404.062   3.6367  401.095   2.7810 -0.000000 0.000000 
1 1 1    0   25  -14 o  519.978   2.4035 78146.85  721.124 78544.07  1000.78 77717.89  1040.00  521.361   3.3239  518.596   3.4727 -0.000000 0.000000 
1 1 1    0   26  -14 o   54.430   6.7651  896.380  203.811  896.380  203.811   0.0000   0.0000   54.430   6.7651   54.430   6.7651 -0.000000 0.000000 
1 1 1    0   27  -14 o  160.060   2.8878  7409.26  266.753  7409.26  266.753   0.0000   0.0000  160.060   2.8878  160.060   2.8878 -0.000000 0.000000 
1 1 1    0   28  -14 o  369.814   2.6344 39579.53  562.037 40989.73  789.021 38126.94  800.791  376.522   3.6291  363.107   3.8195 -0.000000 0.000000 
1 1 1    0   29  -14 o  258.757   2.1849 19303.92  325.704 18582.73  443.352 20149.50  480.064  253.525   3.0289  263.988   3.1497 -0.000000 0.000000 
1 1 1    0   30  -14 o  157.908   3.2214  7216.19  293.509   0.0000   0.0000  7216.19  293.509  157.908   3.2214  157.908   3.2214 -0.000000 0.000000 
1 1 1    0   31  -14 f  183.086   3.1410  9697.41  331.905   0.0000   0.0000  9697.41  331.905  183.086   3.1410  183.086   3.1410 -0.000000 0.000000 
1 1 1    0   32  -14 o  100.136   3.0098  2900.14  172.671  2743.98  232.034  3093.95  258.491   97.132   4.1535  103.139   4.3572 -0.000000 0.000000 
1 1 1    0   33  -14 o   47.626   7.3781  734.364  177.730  299.119  226.908  1425.28  285.887   26.341   12.767   68.910   7.3988 -0.000000 0.000000 
1 1 1    0   34  -14 o  229.622   2.2145 15247.80  293.508 15119.73  410.565 15381.67  419.753  228.638   3.1105  230.606   3.1530 -0.000000 0.000000 
1 1 1    0   35  -14 o  229.839   2.2441 15281.81  297.705 15298.94  417.086 15264.01  425.065  229.974   3.1415  229.704   3.2055 -0.000000 0.000000 
1 1 1    0   36  -14 o   48.645   8.0757  829.831  189.947  934.495  244.972  672.036  300.790   54.895   8.2845   42.396   13.865 -0.000000 0.000000 
1 1 1    0   37  -14 o  115.385   2.9806  3921.59  195.316  4401.87  267.497  3373.14  285.853  123.160   3.7687  107.610   4.6188 -0.000000 0.000000 
1 1 1    0   38  -14 o   97.628   3.3781  2773.18  186.651  2192.07  254.859  3445.44  274.120   86.472   5.1449  108.784   4.3792 -0.000000 0.000000 
1 1 1    0   39  -14 f  180.705   2.4935  9446.74  259.625  9143.06  355.635  9793.26  379.894  177.609   3.4700  183.801   3.5818 -0.000000 0.000000 
1 1 1    0   40  -14 o   70.191   5.1192  1535.86  188.094  1049.15  268.740  2003.27  263.354   57.987   8.5755   82.396   5.5933 -0.000000 0.000000 
1 1 1    0   41  -14 o   42.207   9.1330  660.599  193.623  653.207  258.648  670.022  292.029   42.487   12.160   41.927   13.630 -0.000000 0.000000 
1 1 1    0   42  -14 o  130.863   2.8956  5024.57  216.427  5272.15  292.088  4723.17  322.283  134.568   3.7649  127.157   4.4004 -0.000000 0.000000 
1 1 1    0   43  -14 o   15.177   7.2295 -121.8901  189.551   26.165  252.891 -311.7134  286.349   17.140   11.046   13.215   9.3295 -0.000000 0.000000 
1 1 1    0   44  -14 o   69.727   4.9943  1479.30  195.495  1363.44  261.773  1625.40  293.961   66.630   6.9777   72.825   7.1472 -0.000000 0.000000 
1 1 1    0   45  -14 f   68.075   5.9601  1557.33  197.013  2006.06  265.328  1005.89  294.131   81.719   5.6850   54.431   10.477 -0.000000 0.000000 
1 1 1    0   46  -14 f   16.098   7.5890 -31.5505  192.281   11.731  257.829 -85.7887  288.623   16.498   10.819   15.698   10.645 -0.000000 0.000000 
1 1 1    0   47  -14 o   69.050   5.2833  1477.93  199.286  1157.71  266.360  1885.10  300.358   59.946   8.1119   78.153   6.7713 -0.000000 0.000000 
1 1 1    0   48  -14 o   63.948   7.4991  1475.43  201.083  535.098  268.405  2678.39  303.583   33.792   13.901   94.104   5.6320 -0.000000 0.000000 
1 1 1    0   49  -14 o   34.274   5.8500  163.346  207.907 -845.9899  293.498  1179.97  294.555   9.5368   7.0416   59.012   9.3437 -0.000000 0.000000 
1 1 1    0    0  -15 o  130.822   1.6269  4954.19  122.518  5377.31  173.613  4534.43  172.921  136.405   2.2051  125.240   2.3927 -0.000000 0.000000 
1 1 1    0    1  -15 o  320.982   1.8984 29677.20  333.052 29505.13  408.978 30015.98  573.862  319.618   2.2158  322.346   3.0831 -0.000000 0.000000 
1 1 1    0    2  -15 o   59.831   2.5725  1070.75   82.732  967.562  139.820  1126.34  102.626   57.408   4.2714   62.254   2.8682 -0.000000 0.000000 
1 1 1    0    3  -15 o  635.340   3.3904 116524.20  1183.51 116339.80  1463.02 116873.10  2013.17  634.648   3.9918  636.032   5.4814 -0.000000 0.000000 
1 1 1    0    4  -15 f  140.755   1.8080  5724.17  146.926  5724.17  146.926   0.0000   0.0000  140.755   1.8080  140.755   1.8080 -0.000000 0.000000 
1 1 1    0    5  -15 o  1322.43   5.7945 505351.09  4425.16 506337.81  6239.72 504352.81  6276.68  1323.73   8.1624  1321.13   8.2269 -0.000000 0.000000 
1 1 1    0    6  -15 o   88.711   2.1118  2220.56   97.558  2144.79  114.604  2419.98  185.919   86.087   2.3088   91.334   3.5366 -0.000000 0.000000 
1 1 1    0    7  -15 o  995.797   6.1807 286584.50  3553.88 284264.00  5002.80 288948.50  5049.42  991.727   8.7360  999.866   8.7456 -0.000000 0.000000 
1 1 1    0    8  -15 o  267.487   2.0693 20670.55  319.586 20629.57  452.364 20711.39  451.564  267.222   2.9319  267.752   2.9209 -0.000000 0.000000 
1 1 1    0    9  -15 f  400.101   2.5731 46246.61  594.412 46469.14  836.237 46019.34  845.085  401.075   3.6107  399.127   3.6668 -0.000000 0.000000 
1 1 1    0   10  -15 o  ?   ?  -1076.3580  120.097 -1076.3580  120.097   0.0000   0.0000  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0   11  -15 o  531.291   3.5473 81550.84  1088.14 81790.85  1551.50 81318.48  1526.53  532.058   5.0500  530.523   4.9831 -0.000000 0.000000 
1 1 1    0   12  -15 o  619.608   3.8774 110924.30  1387.28 111620.50  1966.13 110234.10  1957.71  621.544   5.4781  617.671   5.4889 -0.000000 0.000000 
1 1 1    0   13  -15 o  118.985   1.9028  4093.16  129.778  4110.50  195.034  4079.38  173.853  119.201   2.8366  118.770   2.5371 -0.000000 0.000000 
1 1 1    0   14  -15 o  384.071   2.5802 42588.67  571.377 39463.42  797.255 45889.09  819.295  369.585   3.7359  398.556   3.5599 -0.000000 0.000000 
1 1 1    0   15  -15 o   11.367   5.5194 -120.3777  118.127 -69.2561  154.071 -193.2881  183.998   11.734   7.9042   11.001   7.7059 -0.000000 0.000000 
1 1 1    0   16  -15 f  130.137   2.6253  4897.01  197.133  4897.01  197.133   0.0000   0.0000  130.137   2.6253  130.137   2.6253 -0.000000 0.000000 
1 1 1    0   17  -15 o  273.725   2.7941 21646.14  441.610 21646.14  441.610   0.0000   0.0000  273.725   2.7941  273.725   2.7941 -0.000000 0.000000 
1 1 1    0   18  -15 f   97.218   2.9337  2731.05  161.560  2666.73  209.867  2824.61  253.124   95.858   3.8044   98.579   4.4668 -0.000000 0.000000 
1 1 1    0   19  -15 o  296.954   2.2612 25471.93  387.750   0.0000   0.0000 25471.93  387.750  296.954   2.2612  296.954   2.2612 -0.000000 0.000000 
1 1 1    0   20  -15 o  164.566   2.0065  7824.80  190.640   0.0000   0.0000  7824.80  190.640  164.566   2.0065  164.566   2.0065 -0.000000 0.000000 
1 1 1    0   21  -15 o  388.288   2.7210 43553.85  610.125   0.0000   0.0000 43553.85  610.125  388.288   2.7210  388.288   2.7210 -0.000000 0.000000 
1 1 1    0   22  -15 o  104.320   2.8279  3153.90  169.671  2988.56  235.429  3332.57  244.743  101.462   4.0321  107.177   3.9662 -0.000000 0.000000 
1 1 1    0   23  -15 o  128.363   1.9494  4762.17  144.446  4762.17  144.446   0.0000   0.0000  128.363   1.9494  128.363   1.9494 -0.000000 0.000000 
1 1 1    0   24  -15 o  386.332   2.7186 43188.88  601.041 42795.07  910.775 43492.69  799.965  384.743   4.0998  387.921   3.5713 -0.000000 0.000000 
1 1 1    0   25  -15 o  178.621   1.8570  9182.19  188.783  9460.48  294.585  8988.26  245.916  180.895   2.8212  176.347   2.4155 -0.000000 0.000000 
1 1 1    0   26  -15 o  454.770   2.6902 59961.77  659.458 59309.11  1161.19 60272.48  801.201  452.845   4.4408  456.695   3.0379 -0.000000 0.000000 
1 1 1    0   27  -15 o  122.424   3.4015  4341.67  240.083  4341.67  240.083   0.0000   0.0000  122.424   3.4015  122.424   3.4015 -0.000000 0.000000 
1 1 1    0   28  -15 o   70.493   4.0375  1461.45  161.249  1411.45  217.051  1523.05  240.889   69.179   5.5131   71.808   5.9001 -0.000000 0.000000 
1 1 1    0   29  -15 o   52.378   4.5513  880.723  101.886  745.530  214.158  920.275  115.834   48.682   8.3557   56.074   3.6111 -0.000000 0.000000 
1 1 1    0   30  -15 o  216.165   3.0702 13513.70  383.125   0.0000   0.0000 13513.70  383.125  216.165   3.0702  216.165   3.0702 -0.000000 0.000000 
1 1 1    0   31  -15 o   67.357   7.7040  1367.85  289.560   0.0000   0.0000  1367.85  289.560   67.357   7.7040   67.357   7.7040 -0.000000 0.000000 
1 1 1    0   32  -15 o  302.865   2.3832 26488.10  416.423 25420.22  575.715 27659.83  603.057  296.471   3.3633  309.258   3.3773 -0.000000 0.000000 
1 1 1    0   33  -15 o   37.099   7.0861  472.452  171.210   83.236  228.726  968.436  258.198   18.362   11.251   55.836   8.6175 -0.000000 0.000000 
1 1 1    0   34  -15 o   58.194   5.7765  1057.16  177.465  1169.84  239.632  920.295  264.096   62.386   6.8625   54.002   9.2938 -0.000000 0.000000 
1 1 1    0   35  -15 o  108.148   3.3590  3331.83  205.751  3001.20  264.574  3837.76  327.280  101.512   4.5333  114.785   4.9579 -0.000000 0.000000 
1 1 1    0   36  -15 o   46.244   7.9375  730.658  183.756  516.787  250.230  980.985  270.718   36.569   13.003   55.919   9.1077 -0.000000 0.000000 
1 1 1    0   37  -15 o   57.950   5.8599  1032.31  183.954  961.582  249.661  1116.31  272.084   55.660   8.3125   60.240   8.2618 -0.000000 0.000000 
1 1 1    0   38  -15 o  173.087   2.5022  8676.18  247.294  8631.56  326.612  8736.13  378.564  172.611   3.2789  173.564   3.7806 -0.000000 0.000000 
1 1 1    0   39  -15 o   38.594   5.3362  416.942  191.773 -572.7717  277.069  1327.13  265.704   10.909   7.9215   66.279   7.1520 -0.000000 0.000000 
1 1 1    0   40  -15 o   45.055   8.7353  773.790  202.498  984.919  272.241  512.313  302.969   55.671   9.2302   34.439   14.833 -0.000000 0.000000 
1 1 1    0   41  -15 o   34.611   8.0004  487.359  198.513  837.063  265.771   46.047  298.559   50.179   10.393   19.043   12.166 -0.000000 0.000000 
1 1 1    0   42  -15 o   26.134   9.4882  314.281  183.641  355.456  259.329  272.865  260.089   27.779   13.617   24.489   13.217 -0.000000 0.000000 
1 1 1    0   43  -15 f   56.321   7.6628  1093.76  198.803  498.932  263.691  1877.14  302.610   33.917   13.749   78.725   6.7708 -0.000000 0.000000 
1 1 1    0   44  -15 o   58.966   6.1685  1133.95  186.669  875.716  265.410  1386.73  262.592   50.822   10.196   67.109   6.9455 -0.000000 0.000000 
1 1 1    0   45  -15 o  115.441   3.2675  3916.00  216.209  3686.21  290.483  4201.43  323.747  111.708   4.5193  119.175   4.7205 -0.000000 0.000000 
1 1 1    0   46  -15 o   42.920   8.7483  709.958  188.363  766.162  270.826  657.295  262.156   45.243   11.996   40.597   12.737 -0.000000 0.000000 
1 1 1    0   47  -15 o   44.967   8.4682  860.236  202.993  1167.16  271.496  471.142  305.687   59.965   8.2915   29.970   14.768 -0.000000 0.000000 
1 1 1    0   48  -15 o   86.402   4.1443  2311.00  199.061  1776.53  283.086  2833.76  279.969   75.633   6.5961   97.171   5.0193 -0.000000 0.000000 
1 1 1    0   49  -15 o   42.647   6.7796  689.546  206.183   11.858  275.603  1550.93  310.718   16.352   10.877   68.942   8.0959 -0.000000 0.000000 
1 1 1    0    0  -16 f  913.393   5.7766 241261.20  3043.85 247823.00  4251.61 234361.41  4359.74  926.161   7.9498  900.625   8.3833 -0.000000 0.000000 
1 1 1    0    1  -16 o  112.462   1.4037  3656.74   91.034  3679.98  126.418  3631.72  131.197  112.835   1.9412  112.088   2.0282 -0.000000 0.000000 
1 1 1    0    2  -16 o   22.157   6.0950  217.448   96.013   5.4684  183.899  296.883  112.574   14.808   9.4955   29.506   7.6441 -0.000000 0.000000 
1 1 1    0    3  -16 o   23.657   7.2776  231.684  105.625  187.670  151.806  272.990  147.061   21.013   10.398   26.302   10.185 -0.000000 0.000000 
1 1 1    0    4  -16 o  568.567   3.5468 93367.07  1164.08 92443.26  1621.73 94348.97  1671.92  565.669   4.9649  571.466   5.0666 -0.000000 0.000000 
1 1 1    0    5  -16 o  116.441   2.2412  3919.83  150.592   0.0000   0.0000  3919.83  150.592  116.441   2.2412  116.441   2.2412 -0.000000 0.000000 
1 1 1    0    6  -16 f  188.491   1.5931 10264.80  167.439 10264.15  275.119 10265.18  211.020  188.475   2.5285  188.508   1.9387 -0.000000 0.000000 
1 1 1    0    7  -16 o  163.338   1.6244  7690.38  148.532  7786.08  242.315  7632.77  187.991  164.138   2.5575  162.538   2.0033 -0.000000 0.000000 
1 1 1    0    8  -16 o  272.631   2.0190 21477.66  317.756 21055.94  450.989 21893.40  447.777  269.971   2.8932  275.292   2.8170 -0.000000 0.000000 
1 1 1    0    9  -16 o  174.541   1.7590  8800.97  177.138  9202.57  252.657  8412.73  248.418  178.460   2.4524  170.622   2.5222 -0.000000 0.000000 
1 1 1    0   10  -16 o  658.649   4.1352 125364.00  1572.58 126531.80  2216.02 124179.20  2232.00  661.744   5.7993  655.555   5.8963 -0.000000 0.000000 
1 1 1    0   11  -16 o  552.571   3.4922 88197.33  1114.11 90208.78  1588.81 86251.45  1562.71  558.770   4.9241  546.372   4.9532 -0.000000 0.000000 
1 1 1    0   12  -16 o  266.189   1.9877 20471.50  305.482 20309.42  433.249 20631.76  430.795  265.139   2.8300  267.238   2.7919 -0.000000 0.000000 
1 1 1    0   13  -16 o  171.118   1.8008  8447.84  177.530  8677.64  260.705  8249.14  242.421  173.283   2.6063  168.953   2.4856 -0.000000 0.000000 
1 1 1    0   14  -16 o  554.388   3.0990 89071.42  942.895 87906.60  1601.07 89689.91  1166.67  551.562   5.0270  557.215   3.6256 -0.000000 0.000000 
1 1 1    0   15  -16 o  871.723   5.4413 218111.91  2333.33 222771.91  4805.09 216674.00  2669.15  877.491   9.4839  865.955   5.3374 -0.000000 0.000000 
1 1 1    0   16  -16 o  350.606   2.5783 35557.21  520.173 35017.76  764.868 36021.43  709.517  348.120   3.8053  353.093   3.4800 -0.000000 0.000000 
1 1 1    0   17  -16 o  109.914   2.6052  3470.03  155.227  3410.26  189.042  3593.76  271.970  108.535   3.0211  111.293   4.2453 -0.000000 0.000000 
1 1 1    0   18  -16 o  240.334   1.9395 16689.73  269.126 16560.49  380.958 16818.49  380.248  239.404   2.7561  241.264   2.7297 -0.000000 0.000000 
1 1 1    0   19  -16 o  204.232   2.0357 12049.95  240.064   0.0000   0.0000 12049.95  240.064  204.232   2.0357  204.232   2.0357 -0.000000 0.000000 
1 1 1    0   20  -16 o  736.387   4.8006 156727.30  2041.47   0.0000   0.0000 156727.30  2041.47  736.387   4.8006  736.387   4.8006 -0.000000 0.000000 
1 1 1    0   21  -16 o   66.196   4.0501  1256.27  149.452  1098.32  190.650  1508.06  240.714   60.898   5.5251   71.494   5.9232 -0.000000 0.000000 
1 1 1    0   22  -16 o  314.883   1.9460 28722.72  339.075 28384.73  565.690 28912.25  423.607  313.408   3.1259  316.358   2.3187 -0.000000 0.000000 
1 1 1    0   23  -16 o  410.576   2.7467 48439.00  565.693 49311.43  1130.83 48147.82  653.313  412.927   4.7432  408.225   2.7713 -0.000000 0.000000 
1 1 1    0   24  -16 o   91.858   2.1059  2462.94  108.061  2519.96  137.879  2372.16  173.983   93.293   2.5633   90.422   3.3419 -0.000000 0.000000 
1 1 1    0   25  -16 o  423.742   2.5052 52058.64  574.700 51455.55  1003.34 52353.12  701.107  421.835   4.1192  425.650   2.8523 -0.000000 0.000000 
1 1 1    0   26  -16 o   43.774   5.3995  579.197  130.933   0.0000   0.0000  579.197  130.933   43.774   5.3995   43.774   5.3995 -0.000000 0.000000 
1 1 1    0   27  -16 o  286.895   2.1631 23805.77  357.301 23642.30  524.508 23947.29  488.058  285.963   3.1767  287.827   2.9367 -0.000000 0.000000 
1 1 1    0   28  -16 o  106.608   2.3675  3256.45  139.127  3425.39  236.428  3166.95  172.074  108.648   3.7782  104.569   2.8540 -0.000000 0.000000 
1 1 1    0   29  -16 o   90.483   3.3946  2390.80  175.131  2403.75  235.290  2374.71  262.241   90.816   4.5114   90.151   5.0735 -0.000000 0.000000 
1 1 1    0   30  -16 o  115.705   4.1922  3887.77  279.309   0.0000   0.0000  3887.77  279.309  115.705   4.1922  115.705   4.1922 -0.000000 0.000000 
1 1 1    0   31  -16 o  206.106   3.2185 12288.59  382.902   0.0000   0.0000 12288.59  382.902  206.106   3.2185  206.106   3.2185 -0.000000 0.000000 
1 1 1    0   32  -16 o  144.871   2.5174  6097.15  209.122  6260.39  283.217  5901.46  310.095  147.040   3.3389  142.701   3.7685 -0.000000 0.000000 
1 1 1    0   33  -16 o  197.685   2.3709 11291.64  267.044 11201.81  350.049 11416.70  413.032  196.777   3.0818  198.592   3.6038 -0.000000 0.000000 
1 1 1    0   34  -16 o  144.307   2.5949  6010.79  214.803  5812.40  287.299  6262.27  323.461  141.634   3.5171  146.981   3.8163 -0.000000 0.000000 
1 1 1    0   35  -16 o   24.815   8.8475  238.182  183.816  413.068  245.256   14.030  277.660   31.501   13.326   18.128   11.642 -0.000000 0.000000 
1 1 1    0   36  -16 o   56.318   7.4181  1125.49  188.665  1548.88  255.342  616.445  279.981   72.228   6.2277   40.408   13.466 -0.000000 0.000000 
1 1 1    0   37  -16 o  156.823   2.5538  7101.29  230.479  6713.13  313.050  7560.73  340.580  152.163   3.5666  161.482   3.6560 -0.000000 0.000000 
1 1 1    0   38  -16 o  144.280   2.6531  6016.50  220.175  5687.68  298.594  6408.34  325.951  139.980   3.6993  148.580   3.8041 -0.000000 0.000000 
1 1 1    0   39  -16 o   49.587   5.1247  620.263  195.363 -395.0018  247.672  2292.32  317.843   11.234   8.0585   87.941   6.3335 -0.000000 0.000000 
1 1 1    0   40  -16 o   17.433   7.9901 -15.3504  193.883   93.696  277.412 -119.4782  271.083   19.607   12.185   15.260   10.339 -0.000000 0.000000 
1 1 1    0   41  -16 o   58.293   6.8247  1122.29  194.930  782.768  276.797  1456.35  274.561   47.321   11.700   69.266   7.0293 -0.000000 0.000000 
1 1 1    0   42  -16 o   25.563   9.5519  298.211  202.334  410.292  268.417  150.712  307.921   29.829   13.950   21.297   13.052 -0.000000 0.000000 
1 1 1    0   43  -16 o   19.780   7.9482 -50.0532  187.208  391.427  264.982 -489.9991  264.521   28.690   13.809   10.871   7.8735 -0.000000 0.000000 
1 1 1    0   44  -16 o   58.631   8.0243  1341.19  206.724  1872.41  275.563  657.404  312.638   78.617   6.1559   38.646   14.821 -0.000000 0.000000 
1 1 1    0   45  -16 o   44.683   8.7991  763.996  206.958  483.256  275.110  1129.99  314.119   31.762   14.148   57.603   10.466 -0.000000 0.000000 
1 1 1    0   46  -16 f  125.416   3.1947  4601.34  228.400  3793.76  306.602  5608.28  342.362  113.016   4.7160  137.817   4.3108 -0.000000 0.000000 
1 1 1    0   47  -16 o   73.849   5.6208  1630.65  200.504  900.904  254.580  2822.79  325.389   51.287   9.5725   96.410   5.8943 -0.000000 0.000000 
1 1 1    0   48  -16 o   52.153   8.2527  1113.15  196.988  1353.55  249.444  714.797  321.097   65.557   6.7524   38.749   15.061 -0.000000 0.000000 
1 1 1    0    0  -17 o   14.001   9.4921 -121.2681  229.151   0.0000   0.0000 -121.2681  229.151   14.001   9.4921   14.001   9.4921 -0.000000 0.000000 
1 1 1    0    1  -17 o  705.360   3.2699 143723.50  1331.89 143639.41  1893.41 143805.80  1873.89  705.154   4.6496  705.566   4.5990 -0.000000 0.000000 
1 1 1    0    2  -17 o   69.892   3.6658  1516.85  122.277  1597.68  141.682  1280.88  242.070   74.155   3.3233   65.628   6.5352 -0.000000 0.000000 
1 1 1    0    3  -17 o  677.703   4.4211 132703.91  1726.27 132867.91  2527.53 132560.41  2363.34  678.081   6.4553  677.325   6.0426 -0.000000 0.000000 
1 1 1    0    4  -17 f   36.295   6.4494  425.549  110.383  391.035  133.075  501.668  197.630   34.541   7.6267   38.048   10.402 -0.000000 0.000000 
1 1 1    0    5  -17 o  791.729   4.9322 181166.80  2254.62 178189.41  3191.98 184131.41  3185.08  785.229   7.0397  798.228   6.9100 -0.000000 0.000000 
1 1 1    0    6  -17 o  122.286   2.0481  4333.61  144.117  3999.16  204.198  4665.54  203.428  117.560   3.0120  127.012   2.7762 -0.000000 0.000000 
1 1 1    0    7  -17 o  873.140   5.4282 220337.00  2736.70 217451.09  3854.21 223271.50  3886.56  867.371   7.6952  878.909   7.6579 -0.000000 0.000000 
1 1 1    0    8  -17 o  108.267   2.1828  3390.39  136.169  3528.24  195.895  3261.51  189.411  110.401   3.0777  106.134   3.0960 -0.000000 0.000000 
1 1 1    0    9  -17 o  413.558   2.7520 49415.30  657.136 48925.48  931.995 49899.55  926.688  411.518   3.9222  415.598   3.8615 -0.000000 0.000000 
1 1 1    0   10  -17 o   55.258   3.4832  907.799  106.363  879.617  168.323  926.532  137.232   54.364   5.4893   56.151   4.2893 -0.000000 0.000000 
1 1 1    0   11  -17 f   77.093   3.1570  1725.12  140.026  1725.12  140.026   0.0000   0.0000   77.093   3.1570   77.093   3.1570 -0.000000 0.000000 
1 1 1    0   12  -17 o   10.375   5.2620 -369.1995  152.351 -210.0476  187.527 -678.1761  261.289   10.929   7.6815   9.8209   7.1938 -0.000000 0.000000 
1 1 1    0   13  -17 o  611.311   4.1064 108006.70  1449.46 109295.20  2052.25 106724.30  2047.45  614.952   5.7795  607.670   5.8351 -0.000000 0.000000 
1 1 1    0   14  -17 o  122.152   2.3981  4379.28  156.228  4160.83  276.579  4481.64  189.325  119.818   4.0070  124.486   2.6360 -0.000000 0.000000 
1 1 1    0   15  -17 o  745.012   5.0640 160485.50  2151.62 160581.70  3313.48 160415.41  2829.27  745.126   7.7015  744.898   6.5776 -0.000000 0.000000 
1 1 1    0   16  -17 o  451.351   3.1755 58675.71  824.089 60927.16  1232.43 56854.95  1108.30  459.146   4.6486  443.556   4.3273 -0.000000 0.000000 
1 1 1    0   17  -17 o  537.990   3.8756 83447.40  1185.06 84933.82  1854.31 82421.18  1540.76  541.980   5.9256  534.000   4.9968 -0.000000 0.000000 
1 1 1    0   18  -17 o  133.466   1.8778  5162.65  137.230  5114.42  233.938  5187.96  169.446  132.959   3.0501  133.972   2.1913 -0.000000 0.000000 
1 1 1    0   19  -17 o   96.346   2.4281  2681.31  133.077  2757.76  206.102  2626.64  174.274   97.495   3.6721   95.197   3.1778 -0.000000 0.000000 
1 1 1    0   20  -17 o  367.734   2.6367 39066.76  559.920   0.0000   0.0000 39066.76  559.920  367.734   2.6367  367.734   2.6367 -0.000000 0.000000 
1 1 1    0   21  -17 o  248.264   2.0633 17805.49  295.791   0.0000   0.0000 17805.49  295.791  248.264   2.0633  248.264   2.0633 -0.000000 0.000000 
1 1 1    0   22  -17 o  551.589   3.5783 87926.75  1139.81   0.0000   0.0000 87926.75  1139.81  551.589   3.5783  551.589   3.5783 -0.000000 0.000000 
1 1 1    0   23  -17 o  154.694   1.6465  6929.69  142.966  6863.37  230.332  6971.26  182.342  154.072   2.5901  155.316   2.0335 -0.000000 0.000000 
1 1 1    0   24  -17 o  295.458   2.2356 25193.17  378.614 25562.19  572.877 24906.98  504.499  297.360   3.3367  293.556   2.9764 -0.000000 0.000000 
1 1 1    0   25  -17 o   20.881   9.7140  184.973  130.083  184.973  130.083   0.0000   0.0000   20.881   9.7140   20.881   9.7140 -0.000000 0.000000 
1 1 1    0   26  -17 o  165.183   1.9625  7885.07  187.167  7885.07  187.167   0.0000   0.0000  165.183   1.9625  165.183   1.9625 -0.000000 0.000000 
1 1 1    0   27  -17 o  161.145   2.0239  7548.20  184.247  7325.50  289.778  7699.33  238.712  159.109   3.1563  163.181   2.5343 -0.000000 0.000000 
1 1 1    0   28  -17 o   52.233   4.0814  813.554  118.892  905.824  175.985  736.081  161.257   55.070   5.6710   49.396   5.8712 -0.000000 0.000000 
1 1 1    0   29  -17 o  188.467   1.9679 10264.33  214.149 10264.33  214.149   0.0000   0.0000  188.467   1.9679  188.467   1.9679 -0.000000 0.000000 
1 1 1    0   30  -17 o   21.312   8.6521  157.652  177.352  244.908  236.747   46.063  267.728   24.035   12.721   18.590   11.731 -0.000000 0.000000 
1 1 1    0   31  -17 o  160.149   3.6300  7427.84  335.359   0.0000   0.0000  7427.84  335.359  160.149   3.6300  160.149   3.6300 -0.000000 0.000000 
1 1 1    0   32  -17 o  195.617   2.3287 11011.85  261.999 10375.98  352.927 11792.47  391.042  189.364   3.2291  201.871   3.3561 -0.000000 0.000000 
1 1 1    0   33  -17 o  282.816   2.4034 23127.49  392.043 22876.81  541.073 23404.55  568.832  281.213   3.3325  284.419   3.4641 -0.000000 0.000000 
1 1 1    0   34  -17 f  144.670   2.6507  5992.46  219.673  5202.54  293.466  6999.12  331.289  133.931   3.8009  155.408   3.6958 -0.000000 0.000000 
1 1 1    0   35  -17 o   64.179   6.0749  1269.08  209.977  1081.30  294.721  1462.66  299.235   58.724   9.4155   69.633   7.6790 -0.000000 0.000000 
1 1 1    0   36  -17 o   64.576   5.4261  1264.73  192.655  1255.78  255.090  1276.60  293.929   64.544   7.0577   64.608   8.2436 -0.000000 0.000000 
1 1 1    0   37  -17 o  119.888   3.0476  4183.59  209.213  4186.91  281.477  4179.48  312.729  119.991   4.0723  119.784   4.5352 -0.000000 0.000000 
1 1 1    0   38  -17 o   65.746   6.9032  1298.49  205.226  663.175  261.266  2322.04  331.622   43.033   12.140   88.459   6.5746 -0.000000 0.000000 
1 1 1    0   39  -17 o  121.941   3.0337  4338.04  211.759  4358.14  284.690  4313.13  316.826  122.326   4.0396  121.558   4.5271 -0.000000 0.000000 
1 1 1    0   40  -17 o  102.726   3.3968  3053.29  197.962  2456.34  264.852  3808.95  297.987   91.346   5.0557  114.105   4.5381 -0.000000 0.000000 
1 1 1    0   41  -17 o  145.393   2.9261  6202.04  243.413  6456.04  329.108  5895.30  361.666  148.816   3.8349  141.970   4.4206 -0.000000 0.000000 
1 1 1    0   42  -17 o   12.910   6.4477 -301.7160  193.763 -215.8847  275.534 -385.6895  272.536   13.832   9.6311   11.987   8.5752 -0.000000 0.000000 
1 1 1    0   43  -17 o   93.486   3.9176  2630.31  206.452  2123.00  290.693  3146.63  293.259   83.919   6.0708  103.054   4.9533 -0.000000 0.000000 
1 1 1    0   44  -17 o   45.965   7.4078  951.792  210.094  1554.70  279.019  162.396  319.267   70.889   6.9697   21.041   13.074 -0.000000 0.000000 
1 1 1    0   45  -17 o   13.998   6.8388 -305.7991  194.293 -701.7498  276.721   79.188  272.863   9.8402   7.2270   18.157   11.612 -0.000000 0.000000 
1 1 1    0   46  -17 o   25.255   8.1656  260.921  193.285  553.079  243.317 -238.7387  318.201   36.073   12.820   14.437   10.117 -0.000000 0.000000 
1 1 1    0   47  -17 o   77.270   4.4198  1830.74  193.491  1725.15  259.807  1962.24  289.940   74.856   6.1029   79.685   6.3948 -0.000000 0.000000 
1 1 1    0   48  -17 o   49.886   7.8695  899.347  204.551  382.655  259.180  1752.74  333.088   26.444   13.483   73.327   8.1196 -0.000000 0.000000 
1 1 1    0    0  -18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1  -18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2  -18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3  -18 o  116.168   2.6888  3893.98  179.459  4122.83  266.149  3703.18  243.013  119.288   3.8724  113.049   3.7312 -0.000000 0.000000 
1 1 1    0    4  -18 o  853.112   5.5786 210279.20  2742.03 211948.09  4020.59 208827.91  3749.25  856.249   8.1319  849.976   7.6389 -0.000000 0.000000 
1 1 1    0    5  -18 o  157.632   2.2861  7180.37  208.028   0.0000   0.0000  7180.37  208.028  157.632   2.2861  157.632   2.2861 -0.000000 0.000000 
1 1 1    0    6  -18 o  222.342   1.8224 14276.34  219.023 14301.15  384.723 14264.45  266.409  222.466   2.9955  222.219   2.0762 -0.000000 0.000000 
1 1 1    0    7  -18 o  153.819   1.8063  6867.63  156.527  6703.26  248.635  6975.54  201.459  152.271   2.8294  155.367   2.2462 -0.000000 0.000000 
1 1 1    0    8  -18 o  907.010   4.1503 237744.09  2173.53 240041.09  3056.74 235394.91  3091.22  911.449   5.8074  902.572   5.9307 -0.000000 0.000000 
1 1 1    0    9  -18 o   39.557   6.6610  564.388  126.593  390.981  199.658  680.970  163.707   31.778   11.738   47.335   6.3005 -0.000000 0.000000 
1 1 1    0   10  -18 o  440.427   3.0220 56053.57  768.323 55773.66  1098.10 56322.03  1075.40  439.346   4.3286  441.508   4.2183 -0.000000 0.000000 
1 1 1    0   11  -18 o  316.153   2.3401 28878.05  427.152 29308.99  605.624 28451.46  602.556  318.501   3.2931  313.804   3.3256 -0.000000 0.000000 
1 1 1    0   12  -18 o  454.861   2.9190 59783.63  766.421 59881.05  1070.41 59681.14  1097.88  455.245   4.0719  454.477   4.1835 -0.000000 0.000000 
1 1 1    0   13  -18 o   87.233   3.2989  2257.93  160.392  2023.02  250.595  2420.94  208.752   83.179   5.2648   91.288   3.9766 -0.000000 0.000000 
1 1 1    0   14  -18 f   94.098   2.1172  2564.44  112.630  2561.27  145.814  2569.13  177.342   94.055   2.6893   94.141   3.2707 -0.000000 0.000000 
1 1 1    0   15  -18 o  215.919   2.1167 13503.07  263.217 14051.17  364.892 12908.45  380.060  220.507   2.8663  211.331   3.1154 -0.000000 0.000000 
1 1 1    0   16  -18 o  502.625   3.5073 72682.74  1005.32 75161.85  1560.10 70922.30  1314.66  509.887   5.2991  495.364   4.5961 -0.000000 0.000000 
1 1 1    0   17  -18 o   19.035   11.046 -389.0053  150.430 -1081.1140  230.117  127.459  198.785   19.035   11.046   19.035   11.046 -0.000000 0.000000 
1 1 1    0   18  -18 o  168.498   1.8717  8085.22  158.987  8456.65  317.294  7960.71  183.713  171.005   3.2152  165.990   1.9169 -0.000000 0.000000 
1 1 1    0   19  -18 o  227.117   2.0588 14901.75  270.002   0.0000   0.0000 14901.75  270.002  227.117   2.0588  227.117   2.0588 -0.000000 0.000000 
1 1 1    0   20  -18 o  181.098   1.6326  9478.37  167.652  9481.53  217.551  9473.76  263.074  181.147   2.0800  181.048   2.5170 -0.000000 0.000000 
1 1 1    0   21  -18 o  122.531   1.8647  4323.57  128.547  4430.73  207.201  4256.52  163.903  123.739   2.9030  121.324   2.3411 -0.000000 0.000000 
1 1 1    0   22  -18 o  420.864   2.9923 51245.04  718.849 51045.51  1102.03 51392.81  948.391  420.106   4.5432  421.621   3.8955 -0.000000 0.000000 
1 1 1    0   23  -18 o   21.566   7.5584  177.700  129.011   45.354  184.471  304.397  180.491   15.886   9.9006   27.246   11.424 -0.000000 0.000000 
1 1 1    0   24  -18 o  211.834   1.9008 12962.29  205.971 12991.31  397.834 12951.66  240.749  211.945   3.2518  211.722   1.9692 -0.000000 0.000000 
1 1 1    0   25  -18 o  154.860   1.6447  6902.60  144.204  6781.19  185.803  7086.51  228.681  153.170   2.1012  156.550   2.5307 -0.000000 0.000000 
1 1 1    0   26  -18 o   18.674   6.8972  147.623   98.419  167.326  127.833  118.947  154.221   19.777   9.5833   17.571   9.9220 -0.000000 0.000000 
1 1 1    0   27  -18 o   26.572   9.7380  273.654  137.977  273.654  137.977   0.0000   0.0000   26.572   9.7380   26.572   9.7380 -0.000000 0.000000 
1 1 1    0   28  -18 o  126.899   2.3603  4677.92  167.803  4609.29  270.474  4720.86  213.957  126.090   3.7215  127.708   2.9042 -0.000000 0.000000 
1 1 1    0   29  -18 o  343.423   2.5410 34093.80  503.645 33516.80  699.921 34713.36  725.278  340.415   3.5609  346.430   3.6259 -0.000000 0.000000 
1 1 1    0   30  -18 o  138.629   2.1256  5532.34  153.163  5632.39  288.992  5493.26  180.616  139.427   3.5942  137.830   2.2703 -0.000000 0.000000 
1 1 1    0   31  -18 o  260.529   3.4165 19635.91  513.875   0.0000   0.0000 19635.91  513.875  260.529   3.4165  260.529   3.4165 -0.000000 0.000000 
1 1 1    0   32  -18 o   88.111   3.0458  2252.44  154.576   0.0000   0.0000  2252.44  154.576   88.111   3.0458   88.111   3.0458 -0.000000 0.000000 
1 1 1    0   33  -18 o  111.970   3.3243  3581.55  212.058  3110.78  278.332  4232.93  327.398  103.322   4.6862  120.617   4.7162 -0.000000 0.000000 
1 1 1    0   34  -18 o  121.164   3.1183  4281.72  214.696  4352.82  283.115  4185.50  329.356  122.428   4.0138  119.901   4.7734 -0.000000 0.000000 
1 1 1    0   35  -18 f   59.318   9.6345  1107.29  303.948   0.0000   0.0000  1107.29  303.948   59.318   9.6345   59.318   9.6345 -0.000000 0.000000 
1 1 1    0   36  -18 o  136.809   2.8503  5510.78  221.016  5953.67  294.998  4944.08  333.694  143.263   3.5703  130.354   4.4441 -0.000000 0.000000 
1 1 1    0   37  -18 o   58.059   7.4258  1118.59  210.618  1436.51  295.648  790.991  300.120   68.800   7.6862   47.318   12.708 -0.000000 0.000000 
1 1 1    0   38  -18 o   14.049   6.8979 -249.5815  189.471 -382.2194  250.518 -72.3054  289.621   11.434   8.1865   16.663   11.104 -0.000000 0.000000 
1 1 1    0   39  -18 o  107.298   3.4830  3504.46  206.176  4215.29  277.610  2630.13  307.888  120.250   4.0074   94.347   5.6980 -0.000000 0.000000 
1 1 1    0   40  -18 o   28.125   8.1578   18.568  198.862 -428.1609  249.855  790.657  328.472   10.940   7.8847   45.311   14.284 -0.000000 0.000000 
1 1 1    0   41  -18 o   48.192   7.8712  954.132  189.927  1393.33  253.641  393.542  286.557   67.655   6.6380   28.730   14.274 -0.000000 0.000000 
1 1 1    0   42  -18 o   81.639   4.1915  1984.43  194.223  1802.02  259.406  2217.12  292.995   77.374   5.8832   85.904   5.9719 -0.000000 0.000000 
1 1 1    0   43  -18 o   21.201   9.1834  159.200  214.861   76.393  285.169  267.937  326.783   18.575   11.877   23.827   14.010 -0.000000 0.000000 
1 1 1    0   44  -18 o   20.395   8.5482   86.779  200.615  367.424  285.292 -187.7372  282.160   26.692   14.008   14.099   9.8006 -0.000000 0.000000 
1 1 1    0   45  -18 o   12.108   8.7617 -871.2718  212.885 -1124.2870  282.639 -539.5267  323.639   12.108   8.7617   12.108   8.7617 -0.000000 0.000000 
1 1 1    0   46  -18 o   43.988   8.3334  738.874  190.430  469.186  251.951  1098.22  290.832   31.207   13.533   56.768   9.7283 -0.000000 0.000000 
1 1 1    0   47  -18 o  158.956   2.7775  7487.56  249.613  7571.99  323.887  7364.05  391.719  160.441   3.4991  157.471   4.3145 -0.000000 0.000000 
1 1 1    0    0  -19 f  156.600   2.2624  7118.46  203.603  6660.67  294.971  7535.06  281.387  151.755   3.3693  161.445   3.0202 -0.000000 0.000000 
1 1 1    0    1  -19 o  1148.19   7.3761 380943.69  4879.81 374846.81  6661.20 388005.41  7168.94  1138.35   10.134  1158.04   10.721 -0.000000 0.000000 
1 1 1    0    2  -19 o  101.220   3.3204  2938.56  191.706  2528.56  255.594  3465.85  289.854   93.194   4.7774  109.246   4.6127 -0.000000 0.000000 
1 1 1    0    3  -19 o  257.461   2.1096 19146.23  313.147 19049.88  430.931 19254.03  455.832  256.778   2.9066  258.144   3.0584 -0.000000 0.000000 
1 1 1    0    4  -19 o   41.757   7.0433  596.839  180.790  110.244  240.264  1231.96  274.493   19.589   11.772   63.925   7.7361 -0.000000 0.000000 
1 1 1    0    5  -19 o  584.624   3.8327 98748.73  1292.34 98351.67  1783.64 99187.52  1875.08  583.396   5.2947  585.851   5.5429 -0.000000 0.000000 
1 1 1    0    6  -19 o   24.426   8.7223  167.868  179.668 -48.7762  238.580  451.689  273.076   15.668   10.321   33.184   14.064 -0.000000 0.000000 
1 1 1    0    7  -19 o  192.966   2.0577 10782.14  228.362 11028.99  312.022 10497.39  335.118  195.358   2.7667  190.573   3.0465 -0.000000 0.000000 
1 1 1    0    8  -19 o  283.916   1.6253 23288.14  266.425 23573.13  374.832 22997.14  378.763  285.673   2.2722  282.159   2.3246 -0.000000 0.000000 
1 1 1    0    9  -19 o  422.740   2.5727 51610.43  593.937 51693.93  1022.69 51567.93  729.586  422.965   4.1874  422.515   2.9902 -0.000000 0.000000 
1 1 1    0   10  -19 o  177.006   2.0827  9067.37  211.905  9180.26  287.968  8934.05  312.944  178.219   2.7993  175.794   3.0845 -0.000000 0.000000 
1 1 1    0   11  -19 o  440.510   2.6261 55979.47  623.213 55827.63  755.273 56303.39  1103.20  439.616   2.9750  441.403   4.3284 -0.000000 0.000000 
1 1 1    0   12  -19 o  226.426   1.9040 14836.97  223.800 14866.72  264.119 14761.23  421.435  226.859   2.0162  225.993   3.2304 -0.000000 0.000000 
1 1 1    0   13  -19 o  298.079   2.0493 25736.03  333.797 25467.79  572.205 25874.39  410.970  296.873   3.3382  299.284   2.3780 -0.000000 0.000000 
1 1 1    0   14  -19 o  447.408   2.7989 58073.81  692.959 58658.77  866.549 57036.22  1154.10  450.591   3.3303  444.224   4.4994 -0.000000 0.000000 
1 1 1    0   15  -19 o  414.641   2.9141 49576.53  693.812 50730.08  1042.81 48660.34  929.356  418.943   4.3109  410.338   3.9223 -0.000000 0.000000 
1 1 1    0   16  -19 f  298.522   1.6727 25719.51  287.877 26155.03  420.809 25336.38  394.685  300.893   2.4219  296.151   2.3079 -0.000000 0.000000 
1 1 1    0   17  -19 o   18.718   7.7846  110.684  147.403  171.678  183.137  -1.5164  248.387   20.463   11.076   16.973   10.942 -0.000000 0.000000 
1 1 1    0   18  -19 o  333.707   2.5534 32164.18  490.901 32533.44  720.305 31843.93  670.811  335.485   3.7186  331.928   3.5001 -0.000000 0.000000 
1 1 1    0   19  -19 o  103.888   2.5833  3129.75  147.863  3132.12  248.204  3128.45  184.097  103.853   4.1532  103.924   3.0733 -0.000000 0.000000 
1 1 1    0   20  -19 o   24.931   8.6357  267.425  148.816  295.416  187.768  220.142  244.041   26.616   11.685   23.245   12.718 -0.000000 0.000000 
1 1 1    0   21  -19 o   19.085   6.6202  137.921   99.526  240.678  139.499   31.391  142.036   24.336   10.023   13.835   8.6511 -0.000000 0.000000 
1 1 1    0   22  -19 o   77.475   3.1288  1745.48  138.307  1988.17  202.192  1532.08  189.604   82.595   4.2646   72.355   4.5793 -0.000000 0.000000 
1 1 1    0   23  -19 o   35.015   7.8702  444.211  136.171  463.794  228.510  433.428  169.566   34.708   12.462   35.322   9.6152 -0.000000 0.000000 
1 1 1    0   24  -19 o  141.507   1.7871  5749.73  141.926  5619.11  179.795  5965.68  231.183  139.411   2.2343  143.603   2.7898 -0.000000 0.000000 
1 1 1    0   25  -19 o   74.915   3.3441  1631.94  144.031   0.0000   0.0000  1631.94  144.031   74.915   3.3441   74.915   3.3441 -0.000000 0.000000 
1 1 1    0   26  -19 f   47.405   4.5118  656.739  114.252  824.065  188.843  560.127  143.494   52.127   6.5539   42.684   6.2025 -0.000000 0.000000 
1 1 1    0   27  -19 o  112.966   2.5855  3687.46  164.597  3768.03  262.841  3635.49  211.117  113.930   4.0058  112.002   3.2700 -0.000000 0.000000 
1 1 1    0   28  -19 o  311.706   2.2846 28054.69  410.283 28687.46  603.160 27509.77  559.727  314.962   3.3166  308.450   3.1427 -0.000000 0.000000 
1 1 1    0   29  -19 o  340.905   2.3345 33587.09  459.309 34223.48  662.281 32997.34  637.547  344.011   3.3341  337.800   3.2686 -0.000000 0.000000 
1 1 1    0   30  -19 o  109.753   2.1812  3491.63  135.454  3497.03  175.601  3483.71  212.850  109.894   2.7707  109.612   3.3695 -0.000000 0.000000 
1 1 1    0   31  -19 o  307.336   2.4325 26766.26  421.627 24900.30  533.729 29863.53  687.637  293.420   3.1503  321.253   3.7073 -0.000000 0.000000 
1 1 1    0   32  -19 o   91.136   3.1634  2410.33  166.052   0.0000   0.0000  2410.33  166.052   91.136   3.1634   91.136   3.1634 -0.000000 0.000000 
1 1 1    0   33  -19 o  272.568   2.4746 21402.82  387.209 20609.29  516.817 22418.24  584.623  266.859   3.3545  278.277   3.6390 -0.000000 0.000000 
1 1 1    0   34  -19 o   15.296   7.2885 -164.7751  196.781   21.601  255.868 -434.6112  307.872   17.567   11.239   13.026   9.2829 -0.000000 0.000000 
1 1 1    0   35  -19 o   98.678   3.8838  2972.27  209.485  3408.36  273.335  2351.50  326.116  108.163   4.3920   89.192   6.4068 -0.000000 0.000000 
1 1 1    0   36  -19 o  139.817   2.8429  5542.37  226.104  4556.51  295.673  6930.83  350.889  125.156   4.1005  154.479   3.9387 -0.000000 0.000000 
1 1 1    0   37  -19 o   79.569   4.5482  1915.35  200.593  2050.07  263.267  1728.89  309.723   83.340   5.5254   75.798   7.2260 -0.000000 0.000000 
1 1 1    0   38  -19 o   29.394   9.9475  390.268  193.673  397.040  255.394  381.104  297.103   29.947   13.627   28.840   14.496 -0.000000 0.000000 
1 1 1    0   39  -19 o  136.469   2.9883  5442.08  234.770  5704.25  331.193  5177.29  332.844  139.826   4.1092  133.113   4.3399 -0.000000 0.000000 
1 1 1    0   40  -19 o   30.446   6.3919 -52.1383  192.932 -819.9382  258.056  920.937  290.512   8.8507   6.5403   52.041   10.984 -0.000000 0.000000 
1 1 1    0   41  -19 o   23.985   9.2287  264.440  192.416  367.685  256.780  132.228  290.577   27.752   13.559   20.218   12.523 -0.000000 0.000000 
1 1 1    0   42  -19 o  118.247   3.2360  4236.17  213.988  4925.46  288.748  3396.37  318.716  129.616   3.8650  106.879   5.1912 -0.000000 0.000000 
1 1 1    0   43  -19 o   50.562   7.5910  886.174  194.002  813.849  259.247  978.223  292.469   48.057   10.689   53.067   10.782 -0.000000 0.000000 
1 1 1    0   44  -19 o   43.134   8.4487  671.403  205.187  317.883  257.756  1282.98  339.023   24.913   13.249   61.355   10.487 -0.000000 0.000000 
1 1 1    0   45  -19 o   55.320   8.1285  1208.66  212.991  1901.58  302.965  531.536  299.494   78.247   6.8234   32.393   14.756 -0.000000 0.000000 
1 1 1    0   46  -19 o  206.551   2.5560 12532.31  304.405 11789.71  423.274 13327.83  438.098  200.164   3.6642  212.939   3.5646 -0.000000 0.000000 
1 1 1    0   47  -19 o   11.600   5.9608 -570.4873  224.979 -340.8495  299.566 -867.5714  340.730   12.625   9.0245   10.576   7.7900 -0.000000 0.000000 
1 1 1    0    0  -20 o  194.804   2.0319 10967.04  227.912 10974.68  311.488 10958.24  334.359  194.882   2.7687  194.726   2.9746 -0.000000 0.000000 
1 1 1    0    1  -20 o   64.592   5.2237  1253.31  188.058  1279.88  262.924  1225.48  269.092   65.388   7.1831   63.796   7.5862 -0.000000 0.000000 
1 1 1    0    2  -20 f   66.046   4.0281  1289.22  149.825  1296.25  200.375  1280.31  225.636   66.353   5.3069   65.739   6.0614 -0.000000 0.000000 
1 1 1    0    3  -20 o   97.734   2.7647  2785.50  149.360  2820.71  187.597  2724.52  246.849   98.658   3.3008   96.811   4.4361 -0.000000 0.000000 
1 1 1    0    4  -20 o  145.392   2.2185  6109.76  185.417  6065.19  251.276  6163.03  274.731  144.819   3.0072  145.965   3.2626 -0.000000 0.000000 
1 1 1    0    5  -20 o   55.761   6.7089  1000.63  187.721  1175.20  255.288  795.116  276.993   62.505   7.3362   49.016   11.235 -0.000000 0.000000 
1 1 1    0    6  -20 o  312.403   2.3680 28195.14  426.386 28131.91  585.501 28266.55  622.170  312.035   3.2497  312.770   3.4452 -0.000000 0.000000 
1 1 1    0    7  -20 o  302.835   2.4454 26521.10  426.648 26833.76  586.279 26169.13  622.052  304.742   3.3320  300.929   3.5803 -0.000000 0.000000 
1 1 1    0    8  -20 o  525.992   3.5618 79883.13  1078.15 79021.96  1462.20 80909.18  1596.04  522.904   4.8426  529.079   5.2243 -0.000000 0.000000 
1 1 1    0    9  -20 o  108.607   2.8962  3414.22  180.859  3591.35  263.746  3257.00  248.482  111.269   4.1170  105.946   4.0746 -0.000000 0.000000 
1 1 1    0   10  -20 o  249.467   2.2110 17960.65  315.729 17804.89  419.136 18164.98  480.054  248.229   2.9245  250.705   3.3168 -0.000000 0.000000 
1 1 1    0   11  -20 o  460.225   3.2414 61190.19  859.662 60776.25  1177.35 61662.88  1258.16  458.570   4.4464  461.879   4.7176 -0.000000 0.000000 
1 1 1    0   12  -20 o  295.870   2.3494 25310.59  401.120 25871.28  562.229 24729.32  572.447  299.215   3.2543  292.526   3.3894 -0.000000 0.000000 
1 1 1    0   13  -20 f  194.113   2.0260 10900.78  226.594 11066.34  312.390 10716.95  329.172  195.676   2.7655  192.548   2.9616 -0.000000 0.000000 
1 1 1    0   14  -20 o  209.669   2.2885 12718.39  276.638 12486.64  399.107 12932.70  383.793  207.821   3.3271  211.517   3.1433 -0.000000 0.000000 
1 1 1    0   15  -20 o  416.829   3.1320 50232.88  752.727 50174.21  1093.78 50285.68  1037.48  416.586   4.5473  417.073   4.3081 -0.000000 0.000000 
1 1 1    0   16  -20 o  195.605   1.7760 11110.50  193.630 10851.04  316.468 11265.74  244.798  193.750   2.8295  197.461   2.1471 -0.000000 0.000000 
1 1 1    0   17  -20 o   10.277   5.2027 -252.0842  122.846 -196.4745  211.708 -280.3127  150.836   12.127   8.4432   8.4273   6.0814 -0.000000 0.000000 
1 1 1    0   18  -20 o  146.754   2.0614  6237.38  174.317  6033.12  250.606  6428.85  242.629  144.413   3.0076  149.095   2.8200 -0.000000 0.000000 
1 1 1    0   19  -20 o  324.626   2.5287 30384.06  466.992 30939.08  728.391 29996.69  608.512  327.108   3.8568  322.145   3.2714 -0.000000 0.000000 
1 1 1    0   20  -20 o  209.409   2.0989 12680.66  253.144 12712.71  346.675 12644.05  370.512  209.701   2.8636  209.117   3.0693 -0.000000 0.000000 
1 1 1    0   21  -20 o   37.626   6.3540  503.190  112.372  398.770  189.374  559.938  139.606   32.471   11.210   42.781   5.9860 -0.000000 0.000000 
1 1 1    0   22  -20 o   8.6285   6.1083 -160.2166  125.588   0.0000   0.0000 -160.2166  125.588   8.6285   6.1083   8.6285   6.1083 -0.000000 0.000000 
1 1 1    0   23  -20 o  210.726   1.6752 12747.06  195.320 13136.52  329.199 12535.48  242.643  213.169   2.6749  208.283   2.0175 -0.000000 0.000000 
1 1 1    0   24  -20 o  472.647   3.3013 64619.99  889.305 64900.02  1373.82 64418.03  1166.73  473.442   5.0256  471.852   4.2821 -0.000000 0.000000 
1 1 1    0   25  -20 o   19.582   7.0872  159.515  115.283   3.9591  206.577  229.873  138.929   15.560   10.012   23.604   10.034 -0.000000 0.000000 
1 1 1    0   26  -20 o  331.219   2.4554 31703.92  469.647   0.0000   0.0000 31703.92  469.647  331.219   2.4554  331.219   2.4554 -0.000000 0.000000 
1 1 1    0   27  -20 o  103.149   2.2242  3090.42  130.118  3120.56  170.053  3047.84  202.098  103.795   2.8416  102.504   3.4224 -0.000000 0.000000 
1 1 1    0   28  -20 o  218.082   1.9986 13749.18  251.533 13859.05  361.505 13646.06  350.208  218.923   2.8602  217.241   2.7923 -0.000000 0.000000 
1 1 1    0   29  -20 o   60.712   4.9706  1163.72  148.235  986.034  262.553  1246.86  179.598   56.332   8.6842   65.093   4.8387 -0.000000 0.000000 
1 1 1    0   30  -20 f   70.431   4.3280  1451.84  174.527  1451.84  174.527   0.0000   0.0000   70.431   4.3280   70.431   4.3280 -0.000000 0.000000 
1 1 1    0   31  -20 o  103.621   2.9840  3112.07  178.245   0.0000   0.0000  3112.07  178.245  103.621   2.9840  103.621   2.9840 -0.000000 0.000000 
1 1 1    0   32  -20 o   24.188   7.9713  249.528  122.745  253.416  193.005  246.888  159.055   24.192   11.766   24.185   10.757 -0.000000 0.000000 
1 1 1    0   33  -20 o  174.557   2.6010  8835.92  258.761  8861.38  340.721  8801.23  397.750  174.905   3.3758  174.209   3.9579 -0.000000 0.000000 
1 1 1    0   34  -20 o  101.594   2.9846  3002.07  165.110  3020.82  283.642  2992.47  203.059  101.692   4.8547  101.496   3.4733 -0.000000 0.000000 
1 1 1    0   35  -20 o   51.032   8.2904  1054.24  201.427  1442.89  260.042  471.269  318.482   69.404   6.6262   32.659   15.199 -0.000000 0.000000 
1 1 1    0   36  -20 o   16.582   7.7174 -58.7331  195.177   62.562  251.831 -241.1910  308.865   18.240   11.454   14.924   10.346 -0.000000 0.000000 
1 1 1    0   37  -20 f   19.258   7.6785 -75.0933  175.437  355.449  248.566 -502.4567  247.647   28.170   13.395   10.346   7.5098 -0.000000 0.000000 
1 1 1    0   38  -20 o   70.414   6.4237  1740.03  199.650  2331.98  262.326  925.118  307.789   88.904   5.1485   51.924   11.771 -0.000000 0.000000 
1 1 1    0   39  -20 o   80.936   4.9010  2125.75  203.612  2694.45  270.012  1376.04  310.017   95.586   4.9208   66.287   8.4772 -0.000000 0.000000 
1 1 1    0   40  -20 o   80.459   5.0165  2015.88  217.326  2136.67  275.636  1817.42  353.318   84.531   5.7056   76.386   8.2527 -0.000000 0.000000 
1 1 1    0   41  -20 o  158.437   2.8137  7388.34  255.309  8367.33  361.050  6409.23  361.072  169.156   3.6997  147.717   4.2402 -0.000000 0.000000 
1 1 1    0   42  -20 o   25.186   7.9054 -34.3611  196.290 -603.8707  262.659  686.035  295.412   9.9769   7.2979   40.395   14.026 -0.000000 0.000000 
1 1 1    0   43  -20 o   25.628   9.2731  158.314  209.251 -142.0624  263.350  672.739  344.636   14.074   9.7067   37.181   15.803 -0.000000 0.000000 
1 1 1    0   44  -20 o   11.106   5.7668 -640.9615  197.465 -968.9970  265.113 -232.2048  295.939   8.3400   6.1937   13.873   9.7294 -0.000000 0.000000 
1 1 1    0   45  -20 o  201.512   2.5174 11935.11  291.588 12000.82  395.730 11857.05  431.296  202.279   3.3895  200.744   3.7229 -0.000000 0.000000 
1 1 1    0   46  -20 o   69.234   5.9006  1555.23  218.922  1494.12  275.480  1659.96  360.654   68.424   7.1498   70.045   9.3887 -0.000000 0.000000 
1 1 1    0    0  -21 o  179.527   2.2707  9326.37  234.417  9429.85  319.224  9205.26  345.346  180.619   3.0622  178.436   3.3538 -0.000000 0.000000 
1 1 1    0    1  -21 o  210.370   1.9276 12888.89  211.163 12555.31  393.429 13023.87  250.266  208.411   3.2704  212.330   2.0412 -0.000000 0.000000 
1 1 1    0    2  -21 o   28.467   9.2899  320.509  185.260  157.746  256.001  499.466  268.434   21.400   12.484   35.533   13.760 -0.000000 0.000000 
1 1 1    0    3  -21 o  164.466   1.9996  7845.79  172.752  7755.74  318.189  7883.43  205.710  163.757   3.3676  165.175   2.1572 -0.000000 0.000000 
1 1 1    0    4  -21 o   12.859   6.4096 -294.3138  146.318 -408.5377  173.959 -18.0856  270.522   8.3268   6.0738   17.392   11.289 -0.000000 0.000000 
1 1 1    0    5  -21 o  266.202   1.5523 20469.98  238.609 20460.52  335.565 20479.67  339.356  266.140   2.1835  266.263   2.2071 -0.000000 0.000000 
1 1 1    0    6  -21 o   91.896   2.6419  2444.87  137.996  2494.45  213.248  2409.15  181.003   92.663   4.0016   91.129   3.4503 -0.000000 0.000000 
1 1 1    0    7  -21 o  434.582   2.1266 54561.24  533.663 54703.74  750.981 54415.87  758.504  435.156   2.9884  434.008   3.0264 -0.000000 0.000000 
1 1 1    0    8  -21 o   74.199   3.7836  1602.88  161.179   0.0000   0.0000  1602.88  161.179   74.199   3.7836   74.199   3.7836 -0.000000 0.000000 
1 1 1    0    9  -21 o  589.247   2.7876 100326.50  948.325 100261.70  1325.87 100394.30  1356.94  589.057   3.8976  589.438   3.9864 -0.000000 0.000000 
1 1 1    0   10  -21 o  166.568   2.0926  8119.45  180.458  8246.86  213.436  7800.03  337.943  168.936   2.1884  164.199   3.5674 -0.000000 0.000000 
1 1 1    0   11  -21 o   28.292   8.0075  300.277  143.893  145.813  192.089  497.785  217.211   19.563   11.063   37.021   11.580 -0.000000 0.000000 
1 1 1    0   12  -21 o  259.009   2.2746 19414.15  339.552 19904.27  470.373 18880.83  490.667  262.436   3.1044  255.581   3.3254 -0.000000 0.000000 
1 1 1    0   13  -21 o  225.839   2.1814 14700.40  282.678 14377.72  377.578 15111.91  426.392  223.037   2.9323  228.642   3.2304 -0.000000 0.000000 
1 1 1    0   14  -21 o   35.155   6.0964  336.992  173.706 -211.8660  233.587  1016.03  259.815   12.801   8.9027   57.509   8.3311 -0.000000 0.000000 
1 1 1    0   15  -21 o   28.222   7.7741  323.707  142.383  471.141  192.019  143.633  212.212   36.539   10.494   19.906   11.473 -0.000000 0.000000 
1 1 1    0   16  -21 o  183.935   2.2173  9704.08  234.303 10630.51  352.615  8971.65  313.529  191.734   3.1863  176.135   3.0842 -0.000000 0.000000 
1 1 1    0   17  -21 o  202.985   2.2066 11774.89  256.964 13267.84  390.281 10632.44  341.408  214.216   3.1561  191.755   3.0846 -0.000000 0.000000 
1 1 1    0   18  -21 o   45.993   6.7183  976.551  157.397  1463.28  198.752  157.866  257.767   70.618   4.9283   21.368   12.500 -0.000000 0.000000 
1 1 1    0   19  -21 o  189.219   2.1618 10329.83  232.595 10215.23  303.063 10494.08  362.821  187.967   2.7931  190.471   3.3004 -0.000000 0.000000 
1 1 1    0   20  -21 o  143.419   2.1559  5932.62  165.671  6004.66  296.117  5899.79  199.882  143.997   3.5656  142.841   2.4245 -0.000000 0.000000 
1 1 1    0   21  -21 o   84.050   3.2169  2050.74  155.638  2050.74  155.638   0.0000   0.0000   84.050   3.2169   84.050   3.2169 -0.000000 0.000000 
1 1 1    0   22  -21 o   69.070   4.7177  1415.84  180.872  1144.27  247.005  1729.80  265.587   61.587   7.2017   76.553   6.0959 -0.000000 0.000000 
1 1 1    0   23  -21 o   94.178   2.8821  2570.44  156.432  2570.44  156.432   0.0000   0.0000   94.178   2.8821   94.178   2.8821 -0.000000 0.000000 
1 1 1    0   24  -21 o   10.018   7.0154 -157.5093  152.215   0.0000   0.0000 -157.5093  152.215   10.018   7.0154   10.018   7.0154 -0.000000 0.000000 
1 1 1    0   25  -21 o  234.290   2.4554 15881.41  331.742 15860.47  479.902 15900.58  459.096  234.132   3.5508  234.448   3.3922 -0.000000 0.000000 
1 1 1    0   26  -21 o   36.851   9.7099  533.118  192.018  530.545  261.613  536.124  282.722   37.016   13.353   36.685   14.100 -0.000000 0.000000 
1 1 1    0   27  -21 o  267.007   2.1808 20643.61  334.960 20281.42  492.971 20954.24  456.533  264.810   3.2244  269.204   2.9371 -0.000000 0.000000 
1 1 1    0   28  -21 o   33.341   6.0673  436.465  165.739 -214.0844  264.983  854.515  212.418   13.912   9.6294   52.770   7.3838 -0.000000 0.000000 
1 1 1    0   29  -21 o   35.782   6.6355  513.708  141.485  147.115  211.105  812.663  190.638   19.903   11.455   51.662   6.7003 -0.000000 0.000000 
1 1 1    0   30  -21 o   69.733   3.0167  1427.68  120.037  1324.18  171.871  1526.23  167.720   67.184   4.4750   72.282   4.0466 -0.000000 0.000000 
1 1 1    0   31  -21 o   28.555   7.7099  324.296  120.916  357.248  169.996  290.552  172.025   30.611   10.645   26.499   11.156 -0.000000 0.000000 
1 1 1    0   32  -21 o  180.145   2.2336  9383.87  232.308   0.0000   0.0000  9383.87  232.308  180.145   2.2336  180.145   2.2336 -0.000000 0.000000 
1 1 1    0   33  -21 o  213.380   2.2339 13165.91  275.232   0.0000   0.0000 13165.91  275.232  213.380   2.2339  213.380   2.2339 -0.000000 0.000000 
1 1 1    0   34  -21 o   17.121   7.5435 -28.3913  144.889  215.948  259.332 -139.2724  174.698   22.947   12.903   11.296   7.8187 -0.000000 0.000000 
1 1 1    0   35  -21 o   46.328   5.3350  915.596  203.394  1902.53  263.384 -542.4906  320.137   80.176   5.7562   12.480   8.9843 -0.000000 0.000000 
1 1 1    0   36  -21 o  216.292   2.4590 13668.54  303.596 14276.98  406.012 12896.89  457.238  221.885   3.1697  210.699   3.7602 -0.000000 0.000000 
1 1 1    0   37  -21 o  104.576   3.5568  3219.54  210.148  3242.32  274.277  3187.16  327.019  105.200   4.5334  103.951   5.4818 -0.000000 0.000000 
1 1 1    0   38  -21 o   18.244   8.2303   44.164  196.509  124.316  255.879 -71.0751  306.816   19.574   11.950   16.913   11.320 -0.000000 0.000000 
1 1 1    0   39  -21 o   52.007   8.7749  1118.09  212.025  1380.19  263.717  638.966  356.554   67.044   6.9843   36.971   16.100 -0.000000 0.000000 
1 1 1    0   40  -21 o  135.253   2.9767  5409.49  229.338  5658.35  306.705  5093.88  345.398  139.012   3.8267  131.493   4.5605 -0.000000 0.000000 
1 1 1    0   41  -21 o   30.593   8.7804  424.508  200.940  691.627  268.041   81.781  303.615   42.168   12.634   19.018   12.197 -0.000000 0.000000 
1 1 1    0   42  -21 o   36.563   7.9497  633.534  215.411  980.245  271.729   47.121  353.389   53.887   9.6530   19.238   12.634 -0.000000 0.000000 
1 1 1    0   43  -21 o   48.975   8.8120  946.938  221.581  1328.11  317.914  586.840  309.002   63.328   9.2742   34.621   14.986 -0.000000 0.000000 
1 1 1    0   44  -21 o  126.937   3.4144  4837.92  245.380  5883.65  350.903  3837.23  343.263  140.909   4.3210  112.964   5.2878 -0.000000 0.000000 
1 1 1    0   45  -21 o   39.051   10.590  700.027  220.412  607.575  278.091  856.231  361.474   35.930   14.029   42.171   15.869 -0.000000 0.000000 
1 1 1    0    0  -22 o  679.126   4.4495 133371.00  1742.87 134913.09  2415.87 131697.50  2516.79  683.238   6.1234  675.013   6.4571 -0.000000 0.000000 
1 1 1    0    1  -22 o   88.407   3.5656  2268.85  181.384   0.0000   0.0000  2268.85  181.384   88.407   3.5656   88.407   3.5656 -0.000000 0.000000 
1 1 1    0    2  -22 o  268.947   2.3357 20895.21  362.310 21094.95  525.477 20714.20  500.222  270.168   3.3689  267.726   3.2362 -0.000000 0.000000 
1 1 1    0    3  -22 o  163.737   2.1184  7744.97  199.537  7667.42  270.923  7836.91  294.986  162.849   2.8826  164.626   3.1050 -0.000000 0.000000 
1 1 1    0    4  -22 o  392.035   2.4038 44441.78  511.722 44506.60  625.384 44310.44  890.169  392.508   2.7591  391.562   3.9372 -0.000000 0.000000 
1 1 1    0    5  -22 o  127.716   1.9042  4709.61  137.614  4676.82  177.729  4758.70  217.460  127.180   2.4216  128.251   2.9393 -0.000000 0.000000 
1 1 1    0    6  -22 o   15.304   6.8635   23.845  123.520   14.370  150.758   43.193  215.443   13.681   8.7032   16.927   10.615 -0.000000 0.000000 
1 1 1    0    7  -22 o   84.656   3.5147  2081.13  171.169   0.0000   0.0000  2081.13  171.169   84.656   3.5147   84.656   3.5147 -0.000000 0.000000 
1 1 1    0    8  -22 o   28.442   12.931 -457.8969  153.060  340.904  229.966 -1093.1910  205.084   28.442   12.931   28.442   12.931 -0.000000 0.000000 
1 1 1    0    9  -22 o  185.606   1.4278  9952.30  152.945  9984.62  219.641  9921.87  213.100  185.897   2.0463  185.314   1.9916 -0.000000 0.000000 
1 1 1    0   10  -22 o   79.686   4.1217  1884.09  184.688  2005.80  247.362  1730.77  277.626   82.805   5.2199   76.567   6.3801 -0.000000 0.000000 
1 1 1    0   11  -22 o  172.054   2.0092  8470.02  177.125  8368.47  206.701  8750.69  343.627  170.178   2.1038  173.930   3.4238 -0.000000 0.000000 
1 1 1    0   12  -22 o  366.335   2.2973 38765.84  461.928 38837.29  787.046 38728.30  570.528  366.550   3.7186  366.121   2.6985 -0.000000 0.000000 
1 1 1    0   13  -22 o   7.8870   5.8359 -755.1918  141.255 -774.2979  189.104 -731.0751  212.459   7.8870   5.8359   7.8870   5.8359 -0.000000 0.000000 
1 1 1    0   14  -22 o   88.379   3.2863  2266.29  167.215  2266.29  167.215   0.0000   0.0000   88.379   3.2863   88.379   3.2863 -0.000000 0.000000 
1 1 1    0   15  -22 o   13.438   8.8699 -38.9848  177.682   0.0000   0.0000 -38.9848  177.682   13.438   8.8699   13.438   8.8699 -0.000000 0.000000 
1 1 1    0   16  -22 o  214.745   1.9696 13290.16  226.401 13438.06  405.902 13223.37  272.774  215.570   3.2619  213.921   2.2084 -0.000000 0.000000 
1 1 1    0   17  -22 o   66.859   4.9085  1347.96  182.046  1446.79  247.212  1230.86  269.079   69.864   6.2413   63.854   7.5776 -0.000000 0.000000 
1 1 1    0   18  -22 o  145.684   2.4298  6059.16  201.928  5607.62  263.103  6706.35  314.989  139.178   3.2773  152.190   3.5881 -0.000000 0.000000 
1 1 1    0   19  -22 o  190.288   2.3978 10472.28  262.982 11221.41  376.263  9756.82  367.711  196.954   3.3099  183.622   3.4701 -0.000000 0.000000 
1 1 1    0   20  -22 o  146.719   2.6316  6254.98  221.966  6679.24  309.864  5807.83  318.113  151.877   3.5369  141.562   3.8976 -0.000000 0.000000 
1 1 1    0   21  -22 o  149.245   2.4781  6419.75  211.102  6249.28  277.459  6654.08  325.302  146.926   3.2734  151.564   3.7213 -0.000000 0.000000 
1 1 1    0   22  -22 o   44.503   8.0479  764.842  190.117  1117.67  258.386  348.347  280.734   60.631   7.7203   28.374   14.123 -0.000000 0.000000 
1 1 1    0   23  -22 o   26.178   6.8910  203.048  169.775  553.262  211.668 -428.6392  284.276   40.025   10.598   12.330   8.8101 -0.000000 0.000000 
1 1 1    0   24  -22 o  459.149   3.2510 60951.76  862.013 60951.76  862.013   0.0000   0.0000  459.149   3.2510  459.149   3.2510 -0.000000 0.000000 
1 1 1    0   25  -22 o  219.296   1.6087 13906.07  203.250 13792.11  296.763 14006.75  278.941  218.443   2.3529  220.150   2.1944 -0.000000 0.000000 
1 1 1    0   26  -22 o  213.812   2.4035 13235.51  295.735 13327.33  403.638 13129.11  434.534  214.632   3.2579  212.993   3.5346 -0.000000 0.000000 
1 1 1    0   27  -22 o  200.804   1.9646 11610.89  217.949 11833.11  367.464 11490.29  270.706  202.238   3.1478  199.369   2.3517 -0.000000 0.000000 
1 1 1    0   28  -22 o   81.607   4.1673  1942.31  195.242  1942.31  195.242   0.0000   0.0000   81.607   4.1673   81.607   4.1673 -0.000000 0.000000 
1 1 1    0   29  -22 o   96.591   3.3514  2731.23  185.255  2533.50  266.032  2917.39  258.127   93.110   4.9797  100.072   4.4867 -0.000000 0.000000 
1 1 1    0   30  -22 o   92.156   3.7840  2454.08  161.384  2430.53  180.898  2545.93  357.212   91.466   3.4355   92.846   6.7433 -0.000000 0.000000 
1 1 1    0   31  -22 o   29.081   9.3731  346.733  165.818  438.218  276.790  295.520  207.092   32.014   14.190   26.148   12.250 -0.000000 0.000000 
1 1 1    0   32  -22 o  116.751   2.5474  3959.66  171.325  3885.95  244.408  4030.86  240.225  115.668   3.6670  117.835   3.5371 -0.000000 0.000000 
1 1 1    0   33  -22 o   20.460   7.8372  162.077  139.489   55.192  202.283  258.982  192.608   16.603   10.356   24.317   11.766 -0.000000 0.000000 
1 1 1    0   34  -22 o   99.394   3.1741  2870.10  181.789   0.0000   0.0000  2870.10  181.789   99.394   3.1741   99.394   3.1741 -0.000000 0.000000 
1 1 1    0   35  -22 o  153.783   2.1726  6902.53  180.915  6737.87  314.061  6984.31  221.325  152.276   3.5755  155.290   2.4692 -0.000000 0.000000 
1 1 1    0   36  -22 o  105.889   3.6640  3327.88  218.158  3457.41  284.775  3143.88  339.411  108.644   4.5567  103.133   5.7389 -0.000000 0.000000 
1 1 1    0   37  -22 f   28.793   7.1610  225.143  209.868  728.384  256.759 -787.8516  364.285   45.500   11.290   12.086   8.8129 -0.000000 0.000000 
1 1 1    0   38  -22 o  119.515   3.2444  4218.62  219.487  4308.42  287.543  4093.25  339.752  121.261   4.1165  117.768   5.0159 -0.000000 0.000000 
1 1 1    0   39  -22 o  140.512   2.9499  5836.20  235.539  6076.48  312.274  5519.10  358.745  144.113   3.7577  136.911   4.5483 -0.000000 0.000000 
1 1 1    0   40  -22 o   70.195   5.3239  1525.31  208.447  1412.67  275.963  1674.94  318.081   67.269   7.3232   73.120   7.7297 -0.000000 0.000000 
1 1 1    0   41  -22 o   25.619   9.7368  302.131  221.575  522.753  314.758   85.399  311.971   32.122   15.097   19.115   12.301 -0.000000 0.000000 
1 1 1    0   42  -22 o   26.153   9.7245  354.995  207.967  466.336  278.976  215.727  312.007   30.477   14.223   21.829   13.265 -0.000000 0.000000 
1 1 1    0   43  -22 o  113.656   3.5737  3937.65  228.724  4428.85  309.049  3342.78  340.104  122.175   4.3928  105.138   5.6381 -0.000000 0.000000 
1 1 1    0   44  -22 o   29.601   10.154  493.695  224.630  597.783  283.562  318.323  368.068   35.294   14.249   23.907   14.469 -0.000000 0.000000 
1 1 1    0    0  -23 o  209.429   2.1950 12677.54  264.575 12691.13  360.685 12661.71  389.281  209.557   2.9815  209.300   3.2221 -0.000000 0.000000 
1 1 1    0    1  -23 o  242.896   1.4929 17046.41  209.296 16959.35  300.094 17128.88  292.048  242.290   2.1449  243.502   2.0770 -0.000000 0.000000 
1 1 1    0    2  -23 o  114.595   2.4856  3803.94  163.242  3797.10  219.503  3812.42  244.181  114.500   3.3257  114.691   3.6950 -0.000000 0.000000 
1 1 1    0    3  -23 o  488.909   2.3476 69062.53  662.787 69463.62  942.605 68670.30  932.128  490.312   3.3290  487.506   3.3110 -0.000000 0.000000 
1 1 1    0    4  -23 o   12.380   8.7357 -666.0763  181.641 -299.5677  249.991 -1075.9590  264.370   12.380   8.7357   12.380   8.7357 -0.000000 0.000000 
1 1 1    0    5  -23 o  149.555   2.3724  6470.88  204.043  6482.85  300.758  6460.67  277.736  149.672   3.4836  149.439   3.2214 -0.000000 0.000000 
1 1 1    0    6  -23 o  ?   ?  -1424.4301  262.979   0.0000   0.0000 -1424.4301  262.979  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0    7  -23 o  446.714   2.1740 57659.88  560.714 57716.47  785.781 57601.15  800.358  446.940   3.0445  446.488   3.1041 -0.000000 0.000000 
1 1 1    0    8  -23 o  120.249   2.6243  4196.27  181.048  4123.11  267.688  4257.95  245.792  119.257   3.8959  121.240   3.5169 -0.000000 0.000000 
1 1 1    0    9  -23 o  160.610   2.1075  7454.58  195.419  7454.58  195.419   0.0000   0.0000  160.610   2.1075  160.610   2.1075 -0.000000 0.000000 
1 1 1    0   10  -23 o  154.635   1.8590  6878.23  160.649  6774.80  202.493  7053.90  263.895  153.096   2.2913  156.174   2.9281 -0.000000 0.000000 
1 1 1    0   11  -23 o  386.478   2.4573 43150.90  507.981 43114.95  612.174 43230.39  910.259  386.287   2.7443  386.669   4.0771 -0.000000 0.000000 
1 1 1    0   12  -23 o  158.316   1.7812  7215.80  159.089  7106.19  203.688  7387.27  254.755  156.798   2.2503  159.834   2.7616 -0.000000 0.000000 
1 1 1    0   13  -23 o  171.202   2.0432  8403.12  184.533  8298.96  219.482  8654.30  340.843  169.453   2.2436  172.950   3.4153 -0.000000 0.000000 
1 1 1    0   14  -23 o   72.735   3.6698  1542.74  143.746  1586.81  249.347  1520.81  175.921   73.318   5.9801   72.152   4.2556 -0.000000 0.000000 
1 1 1    0   15  -23 o  163.839   2.2653  7759.02  214.265  7759.02  214.265   0.0000   0.0000  163.839   2.2653  163.839   2.2653 -0.000000 0.000000 
1 1 1    0   16  -23 o   70.975   4.3410  1517.37  165.810  1582.28  207.761  1403.50  275.181   73.457   4.9487   68.493   7.1336 -0.000000 0.000000 
1 1 1    0   17  -23 o   49.911   6.8920  835.290  167.249  624.306  249.524  1007.40  225.369   42.120   11.849   57.703   7.0430 -0.000000 0.000000 
1 1 1    0   18  -23 o  225.647   2.1821 14713.64  284.315 14713.64  284.315   0.0000   0.0000  225.647   2.1821  225.647   2.1821 -0.000000 0.000000 
1 1 1    0   19  -23 o   87.863   3.2098  2240.30  162.389   0.0000   0.0000  2240.30  162.389   87.863   3.2098   87.863   3.2098 -0.000000 0.000000 
1 1 1    0   20  -23 o  102.299   2.6058  3075.33  149.537  3222.64  193.760  2858.35  235.154  105.445   3.1883   99.154   4.1226 -0.000000 0.000000 
1 1 1    0   21  -23 o  278.873   2.1292 22511.88  322.155 22562.76  393.528 22408.50  560.938  279.410   2.4391  278.335   3.4907 -0.000000 0.000000 
1 1 1    0   22  -23 o  176.567   2.5260  9025.63  257.293  9047.60  360.336  9002.78  367.504  176.792   3.5323  176.343   3.6119 -0.000000 0.000000 
1 1 1    0   23  -23 o  222.436   2.3445 14312.31  300.130 14300.12  408.760 14326.57  442.092  222.349   3.1846  222.524   3.4418 -0.000000 0.000000 
1 1 1    0   24  -23 o   38.725   9.3271  562.454  202.435  353.371  273.104  817.418  301.584   28.565   13.979   48.886   12.352 -0.000000 0.000000 
1 1 1    0   25  -23 o   27.704   8.7754  266.397  202.882  572.868  273.079 -111.1591  303.099   38.696   13.507   16.712   11.207 -0.000000 0.000000 
1 1 1    0   26  -23 o  229.572   2.3789 15281.58  314.393 15774.55  433.361 14733.85  456.802  233.511   3.2147  225.632   3.5073 -0.000000 0.000000 
1 1 1    0   27  -23 o   14.639   7.1763 -276.4478  216.326 -109.0706  275.666 -544.7401  349.012   15.802   10.623   13.476   9.6509 -0.000000 0.000000 
1 1 1    0   28  -23 o   43.615   8.8163  695.531  200.643  471.073  280.779  929.755  286.821   33.547   14.265   53.682   10.365 -0.000000 0.000000 
1 1 1    0   29  -23 o   90.885   3.6643  2402.07  191.628  2402.07  191.628   0.0000   0.0000   90.885   3.6643   90.885   3.6643 -0.000000 0.000000 
1 1 1    0   30  -23 o   60.713   4.4135  1096.60  149.859  967.945  202.652  1251.85  222.617   56.636   6.4068   64.791   6.0718 -0.000000 0.000000 
1 1 1    0   31  -23 o   98.062   4.0609  2779.25  225.399  2552.19  292.470  3111.35  353.717   93.236   5.4746  102.887   5.9993 -0.000000 0.000000 
1 1 1    0   32  -23 o   67.979   4.6412  1404.15  174.743  1226.96  258.092  1554.13  237.445   63.573   7.2760   72.385   5.7638 -0.000000 0.000000 
1 1 1    0   33  -23 o   21.079   7.8119  190.146  138.167   39.825  240.070  264.598  168.953   17.329   11.008   24.829   11.088 -0.000000 0.000000 
1 1 1    0   34  -23 o   61.382   6.5068  1144.40  207.471  881.022  267.123  1544.85  329.379   51.883   9.9816   70.882   8.3499 -0.000000 0.000000 
1 1 1    0   35  -23 o   13.686   8.7201   20.817  152.098   20.817  152.098   0.0000   0.0000   13.686   8.7201   13.686   8.7201 -0.000000 0.000000 
1 1 1    0   36  -23 o   29.006   10.102  374.443  202.357  278.993  261.171  517.813  320.086   24.568   13.249   33.445   15.254 -0.000000 0.000000 
1 1 1    0   37  -23 o   38.325   6.3070  494.616   96.917  489.273  108.372  515.960  216.594   40.007   4.8849   36.643   11.630 -0.000000 0.000000 
1 1 1    0   38  -23 o  158.743   2.7578  7362.50  249.835  7275.80  329.445  7479.84  383.275  157.794   3.6193  159.693   4.1621 -0.000000 0.000000 
1 1 1    0   39  -23 o   37.238   10.148  611.338  205.521  602.193  268.524  624.271  319.338   37.850   13.475   36.625   15.179 -0.000000 0.000000 
1 1 1    0   40  -23 o  118.286   3.4296  4270.86  226.021  4852.44  300.137  3509.00  343.522  128.386   4.0570  108.187   5.5309 -0.000000 0.000000 
1 1 1    0   41  -23 o   30.575   9.5698  464.374  210.529  654.002  280.049  217.931  319.257   39.171   13.681   21.978   13.385 -0.000000 0.000000 
1 1 1    0   42  -23 o   12.581   8.9514 -314.9786  282.010 -314.9786  282.010   0.0000   0.0000   12.581   8.9514   12.581   8.9514 -0.000000 0.000000 
1 1 1    0   43  -23 o   19.291   8.4127 -76.1206  213.117 -472.0669  284.782  427.872  321.297   11.305   8.1856   27.278   14.700 -0.000000 0.000000 
1 1 1    0    0  -24 o  140.925   2.4929  5760.61  201.740  5905.26  274.964  5591.96  296.904  142.865   3.3366  138.985   3.7048 -0.000000 0.000000 
1 1 1    0    1  -24 o   45.819   7.6155  717.161  172.417  607.355  259.509  803.936  230.695   41.022   12.536   50.616   8.6502 -0.000000 0.000000 
1 1 1    0    2  -24 o  245.290   2.0886 17382.31  295.835   0.0000   0.0000 17382.31  295.835  245.290   2.0886  245.290   2.0886 -0.000000 0.000000 
1 1 1    0    3  -24 o  134.551   2.7830  5252.67  215.544  5449.70  300.994  5045.28  308.806  137.166   3.8061  131.936   4.0613 -0.000000 0.000000 
1 1 1    0    4  -24 o  431.014   2.5452 53690.53  599.152 53682.93  736.205 53705.43  1031.08  431.032   2.9577  430.997   4.1431 -0.000000 0.000000 
1 1 1    0    5  -24 o   58.293   4.7471  976.239  145.614  1157.93  260.380  893.556  175.649   61.879   7.5919   54.708   5.7009 -0.000000 0.000000 
1 1 1    0    6  -24 o  659.864   3.0658 125911.90  1167.80 126905.30  1632.89 124871.80  1670.81  662.542   4.2677  657.187   4.4025 -0.000000 0.000000 
1 1 1    0    7  -24 o   8.6529   4.5068 -674.6539  160.230 -758.4947  242.782 -609.9548  213.274   8.7764   6.4738   8.5294   6.2718 -0.000000 0.000000 
1 1 1    0    8  -24 f   26.455   7.3288  235.764  139.903   13.488  188.939  505.565  208.160   15.172   9.6875   37.739   11.000 -0.000000 0.000000 
1 1 1    0    9  -24 o  146.856   1.9477  6279.24  158.769  6394.79  199.953  6082.08  261.185  148.731   2.3291  144.982   3.1225 -0.000000 0.000000 
1 1 1    0   10  -24 o  193.351   2.1502 10823.23  239.348 11004.57  328.405 10617.77  349.564  195.092   2.9161  191.610   3.1608 -0.000000 0.000000 
1 1 1    0   11  -24 o  118.832   2.3728  4093.03  152.856  4097.47  186.853  4084.05  265.770  118.995   2.7221  118.670   3.8872 -0.000000 0.000000 
1 1 1    0   12  -24 o   75.552   3.9713  1650.67  164.930  1576.58  205.482  1784.83  276.519   73.338   4.9015   77.765   6.2497 -0.000000 0.000000 
1 1 1    0   13  -24 o  ?   ?  -701.0326  164.059 -701.0326  164.059   0.0000   0.0000  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0   14  -24 o  281.214   2.3560 22876.13  382.132 23081.51  529.827 22653.46  551.667  282.540   3.2479  279.888   3.4139 -0.000000 0.000000 
1 1 1    0   15  -24 o  145.674   2.3751  6141.11  199.524  6038.84  278.083  6249.62  286.443  144.425   3.3379  146.923   3.3797 -0.000000 0.000000 
1 1 1    0   16  -24 o  175.586   2.2185  8921.31  224.732  8653.96  317.780  9188.80  317.860  172.946   3.1839  178.225   3.0901 -0.000000 0.000000 
1 1 1    0   17  -24 o  124.946   2.6827  4524.53  191.745  4544.00  289.590  4509.34  255.868  125.155   4.0157  124.737   3.5582 -0.000000 0.000000 
1 1 1    0   18  -24 o   16.755   7.3907 -50.7986  174.235  178.289  218.329 -452.5797  289.138   21.217   11.876   12.294   8.8008 -0.000000 0.000000 
1 1 1    0   19  -24 o   97.209   3.3945  2746.54  187.014  2804.85  290.142  2705.09  244.607   98.025   5.1576   96.393   4.4148 -0.000000 0.000000 
1 1 1    0   20  -24 o  110.465   3.1759  3574.50  194.465  3650.58  245.820  3447.25  317.908  112.162   3.8047  108.767   5.0862 -0.000000 0.000000 
1 1 1    0   21  -24 o  115.634   2.8547  3933.66  167.260  3993.30  195.652  3771.74  322.386  117.439   2.8885  113.829   4.9248 -0.000000 0.000000 
1 1 1    0   22  -24 o   10.672   5.4813 -370.9364  151.806 -454.8688  288.991 -338.9504  178.402   12.263   8.7824   9.0799   6.5611 -0.000000 0.000000 
1 1 1    0   23  -24 o   32.375   9.2834  388.217  155.078  519.049  301.094  340.980  180.920   35.447   14.745   29.304   11.284 -0.000000 0.000000 
1 1 1    0   24  -24 o   53.845   4.8194  880.255  143.267  898.256  206.495  863.547  198.935   54.375   6.8743   53.314   6.7563 -0.000000 0.000000 
1 1 1    0   25  -24 f  251.507   2.2009 18286.60  319.455 18660.85  459.728 17937.16  444.226  253.992   3.1351  249.022   3.0898 -0.000000 0.000000 
1 1 1    0   26  -24 o   20.256   10.953  171.081  178.946  171.081  178.946   0.0000   0.0000   20.256   10.953   20.256   10.953 -0.000000 0.000000 
1 1 1    0   27  -24 o  118.780   3.3747  4103.26  230.379  4017.80  316.829  4199.14  335.589  117.480   4.6865  120.079   4.8570 -0.000000 0.000000 
1 1 1    0   28  -24 o   96.890   4.2538  2740.04  231.262  2667.51  297.272  2851.22  368.059   95.413   5.4350   98.366   6.5452 -0.000000 0.000000 
1 1 1    0   29  -24 o   35.038   14.163  506.207  280.055  506.207  280.055   0.0000   0.0000   35.038   14.163   35.038   14.163 -0.000000 0.000000 
1 1 1    0   30  -24 o  158.492   3.6917  7288.05  337.506  7288.05  337.506   0.0000   0.0000  158.492   3.6917  158.492   3.6917 -0.000000 0.000000 
1 1 1    0   31  -24 o   18.890   8.3935 -281.4824  215.534 -696.4000  278.877  333.984  339.652   10.204   7.4699   27.576   15.033 -0.000000 0.000000 
1 1 1    0   32  -24 o   14.465   9.9512 -180.2350  272.688   0.0000   0.0000 -180.2350  272.688   14.465   9.9512   14.465   9.9512 -0.000000 0.000000 
1 1 1    0   33  -24 o  166.240   2.6176  7778.03  244.334  7002.33  306.221  9137.16  405.338  155.262   3.4187  177.219   3.9647 -0.000000 0.000000 
1 1 1    0   34  -24 o   17.602   7.6619   86.761  149.731   71.577  237.338   96.800  192.981   17.843   11.169   17.360   10.491 -0.000000 0.000000 
1 1 1    0   35  -24 o   11.834   6.0522 -496.2607  204.030 -519.1010  263.523 -462.0796  322.375   10.689   7.7570   12.980   9.2921 -0.000000 0.000000 
1 1 1    0   36  -24 o   13.138   6.5559 -317.8719  203.418 -165.6729  262.673 -545.9002  321.517   14.021   9.6762   12.254   8.8482 -0.000000 0.000000 
1 1 1    0   37  -24 o   16.913   7.2340  105.128  110.259  130.483  117.303 -87.1807  323.049   17.034   8.9709   16.791   11.351 -0.000000 0.000000 
1 1 1    0   38  -24 o   48.338   8.2806  837.274  206.091  447.906  266.789  1413.45  324.538   30.556   13.926   66.119   8.9629 -0.000000 0.000000 
1 1 1    0   39  -24 o   29.876   9.8045  451.576  206.194  564.553  267.610  286.506  323.475   35.758   13.712   23.993   14.018 -0.000000 0.000000 
1 1 1    0   40  -24 o   50.520   8.4524  917.872  212.676  740.146  279.344  1162.94  328.027   43.298   12.841   57.741   10.994 -0.000000 0.000000 
1 1 1    0   41  -24 o   62.169   6.6870  1270.87  218.780  1041.93  289.816  1574.18  333.584   54.870   10.173   69.468   8.6811 -0.000000 0.000000 
1 1 1    0   42  -24 o   58.049   7.2811  1168.69  219.840  1109.95  292.768  1244.64  332.881   56.711   9.8220   59.386   10.751 -0.000000 0.000000 
1 1 1    0   43  -24 o   28.258   9.7431  439.191  220.530  644.918  297.090  186.718  329.116   36.132   14.585   20.384   12.923 -0.000000 0.000000 
1 1 1    0    0  -25 o  169.351   2.2183  8334.09  212.261  8502.91  275.131  8085.87  333.618  171.507   2.7793  167.196   3.4583 -0.000000 0.000000 
1 1 1    0    1  -25 o  108.369   2.9454  3495.89  175.566  3093.67  284.851  3742.28  222.948  103.094   4.8079  113.644   3.4037 -0.000000 0.000000 
1 1 1    0    2  -25 o   64.767   4.3855  1228.57  148.085  1295.93  267.678  1198.86  177.765   65.703   7.2828   63.830   4.8880 -0.000000 0.000000 
1 1 1    0    3  -25 o  163.456   1.9469  7676.80  171.766  7863.26  303.990  7589.35  208.185  164.867   3.1953  162.044   2.2254 -0.000000 0.000000 
1 1 1    0    4  -25 o   96.533   2.8929  2697.96  157.108  2757.98  250.815  2659.20  201.547   97.355   4.4824   95.710   3.6583 -0.000000 0.000000 
1 1 1    0    5  -25 o  209.161   1.4969 12640.56  180.773 12586.29  254.398 12695.91  256.923  208.708   2.1110  209.614   2.1227 -0.000000 0.000000 
1 1 1    0    6  -25 o   12.012   6.0490 -365.1409  182.214 -382.0942  248.885 -345.5570  267.498   11.495   8.2185   12.529   8.8781 -0.000000 0.000000 
1 1 1    0    7  -25 o  132.911   1.7505  5109.46  133.842  5116.52  182.253  5101.20  197.190  133.019   2.3740  132.804   2.5731 -0.000000 0.000000 
1 1 1    0    8  -25 o   83.309   3.3142  2053.60  151.779  1926.17  248.465  2129.47  191.704   81.059   5.3612   85.560   3.8979 -0.000000 0.000000 
1 1 1    0    9  -25 o   42.875   6.6263  632.322  135.694  709.429  173.285  510.087  218.179   48.203   6.5699   37.548   11.509 -0.000000 0.000000 
1 1 1    0   10  -25 o   88.517   3.2002  2273.31  163.117  2273.31  163.117   0.0000   0.0000   88.517   3.2002   88.517   3.2002 -0.000000 0.000000 
1 1 1    0   11  -25 o  304.699   2.3794 26831.76  418.426 26415.67  581.575 27278.27  602.464  302.254   3.3325  307.144   3.3972 -0.000000 0.000000 
1 1 1    0   12  -25 o   92.254   3.1541  2468.38  167.606  2468.38  167.606   0.0000   0.0000   92.254   3.1541   92.254   3.1541 -0.000000 0.000000 
1 1 1    0   13  -25 o  451.590   2.8392 59186.78  708.634 59680.21  884.451 58302.12  1184.26  454.340   3.3710  448.840   4.5695 -0.000000 0.000000 
1 1 1    0   14  -25 o   99.756   2.8881  2957.86  158.308  2655.76  258.298  3139.60  200.348   95.456   4.7114  104.056   3.3415 -0.000000 0.000000 
1 1 1    0   15  -25 o   47.494   8.3506  764.392  197.448  741.601  266.004  792.358  294.655   46.891   11.330   48.096   12.270 -0.000000 0.000000 
1 1 1    0   16  -25 o   97.444   3.3404  2771.58  183.169  2789.74  236.989  2744.63  288.671   97.936   4.2075   96.952   5.1893 -0.000000 0.000000 
1 1 1    0   17  -25 o  400.497   2.6901 46493.45  586.911 46690.86  720.158 46103.01  1012.80  401.879   3.1032  399.115   4.3950 -0.000000 0.000000 
1 1 1    0   18  -25 o   66.345   5.0800  1316.10  188.476  1441.05  276.114  1207.10  257.906   69.426   7.0531   63.264   7.3130 -0.000000 0.000000 
1 1 1    0   19  -25 o   14.826   7.0908 -153.5178  184.788 -327.0089  277.138 -14.6464  247.950   13.044   9.2026   16.608   10.790 -0.000000 0.000000 
1 1 1    0   20  -25 o  160.064   2.6280  7423.31  241.974  7390.54  355.251  7451.68  330.494  159.714   3.8564  160.412   3.5713 -0.000000 0.000000 
1 1 1    0   21  -25 o  152.827   2.4216  6772.02  213.219  7028.59  298.127  6503.36  305.066  155.812   3.3163  149.843   3.5295 -0.000000 0.000000 
1 1 1    0   22  -25 o   56.265   5.7433  968.515  168.568  948.654  212.260  1002.43  277.380   55.961   6.8408   56.568   9.2274 -0.000000 0.000000 
1 1 1    0   23  -25 o  149.945   2.4939  6500.63  195.198  6483.51  231.135  6543.20  364.500  149.702   2.6753  150.188   4.2097 -0.000000 0.000000 
1 1 1    0   24  -25 o  155.872   2.4828  7011.06  219.314  7181.69  345.888  6896.34  283.613  157.411   3.8097  154.334   3.1849 -0.000000 0.000000 
1 1 1    0   25  -25 o   47.310   9.1737  806.106  217.487  913.128  293.442  675.665  323.963   52.860   10.883   41.761   14.771 -0.000000 0.000000 
1 1 1    0   26  -25 o  225.402   2.0506 14744.38  255.697 14860.40  319.564 14537.93  426.298  226.700   2.4414  224.104   3.2953 -0.000000 0.000000 
1 1 1    0   27  -25 o   37.101   9.2636  526.201  188.991  715.021  282.450  373.136  254.306   44.851   12.597   29.351   13.586 -0.000000 0.000000 
1 1 1    0   28  -25 o   38.439   9.0118  587.435  184.670  679.052  236.967  445.742  294.697   44.876   10.521   32.002   14.634 -0.000000 0.000000 
1 1 1    0   29  -25 o  109.340   3.1476  3536.92  193.773  3199.19  297.781  3784.96  255.196  104.599   4.9546  114.082   3.8834 -0.000000 0.000000 
1 1 1    0   30  -25 o   56.407   6.2829  962.187  198.185  962.187  198.185   0.0000   0.0000   56.407   6.2829   56.407   6.2829 -0.000000 0.000000 
1 1 1    0   31  -25 o   71.161   7.0138  1887.60  201.178  2321.08  245.223  995.333  351.825   88.927   4.8068   53.395   13.178 -0.000000 0.000000 
1 1 1    0   32  -25 o  176.562   4.1210  9078.13  419.714   0.0000   0.0000  9078.13  419.714  176.562   4.1210  176.562   4.1210 -0.000000 0.000000 
1 1 1    0   33  -25 o   45.818   14.482  810.566  336.956   0.0000   0.0000  810.566  336.956   45.818   14.482   45.818   14.482 -0.000000 0.000000 
1 1 1    0   34  -25 o   29.966   6.2980  339.273  182.932  742.462  219.194 -585.9973  332.054   47.581   8.8847   12.352   8.9288 -0.000000 0.000000 
1 1 1    0   35  -25 f  103.023   3.4785  3148.96  204.670  3513.69  288.920  2781.55  289.978  109.222   4.5987   96.823   5.2203 -0.000000 0.000000 
1 1 1    0   36  -25 o   53.020   8.4267  1091.46  209.018  1348.31  270.092  707.967  330.028   65.814   7.3392   40.225   15.171 -0.000000 0.000000 
1 1 1    0   37  -25 o   40.996   8.1108  600.668  119.703  589.835  128.508  671.693  329.050   43.754   5.2910   38.239   15.334 -0.000000 0.000000 
1 1 1    0   38  -25 o   43.473   5.4656  626.621  119.981  647.898  155.437  595.256  188.724   45.333   6.2811   41.613   8.9466 -0.000000 0.000000 
1 1 1    0   39  -25 o   16.056   7.4002 -43.5150  154.348  196.400  273.187 -156.0096  187.067   20.915   12.561   11.198   7.8279 -0.000000 0.000000 
1 1 1    0   40  -25 o   64.383   5.2151  1258.75  190.993   0.0000   0.0000  1258.75  190.993   64.383   5.2151   64.383   5.2151 -0.000000 0.000000 
1 1 1    0   41  -25 o   36.639   7.8978  535.446  236.963 -123.5471  336.172  1186.22  334.069   15.938   10.985   57.341   11.350 -0.000000 0.000000 
1 1 1    0   42  -25 o   18.839   8.5804   52.692  231.891  302.127  322.051 -215.8694  334.171   23.024   13.733   14.654   10.291 -0.000000 0.000000 
1 1 1    0    0  -26 o   32.326   9.5269  426.045  177.059  421.416  236.762  431.918  266.702   32.358   13.013   32.293   13.918 -0.000000 0.000000 
1 1 1    0    1  -26 o   32.707   9.3993  441.395  179.160  360.759  271.529  503.568  238.427   28.952   13.974   36.462   12.574 -0.000000 0.000000 
1 1 1    0    2  -26 o   95.314   2.8741  2708.38  142.783  2478.91  258.791  2808.80  171.199   92.178   4.8926   98.450   3.0173 -0.000000 0.000000 
1 1 1    0    3  -26 o   61.184   3.7036  1107.24  128.409  1188.10  182.917  1028.66  180.307   63.482   5.0632   58.885   5.4065 -0.000000 0.000000 
1 1 1    0    4  -26 o  ?   ?  -946.0593  158.690   0.0000   0.0000 -946.0593  158.690  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0    5  -26 o   11.866   5.9779 -374.8884  181.536 -270.6667  242.367 -508.0853  273.995   12.393   8.7151   11.339   8.1847 -0.000000 0.000000 
1 1 1    0    6  -26 o  169.136   2.1380  8293.33  206.307  8151.79  315.126  8399.50  272.928  167.846   3.2535  170.426   2.7745 -0.000000 0.000000 
1 1 1    0    7  -26 o   24.650   7.2607  247.646  111.801  335.530  156.968  157.157  159.278   29.887   10.149   19.413   10.386 -0.000000 0.000000 
1 1 1    0    8  -26 o  149.928   2.5450  6503.74  219.397  6436.64  298.008  6583.15  324.192  149.098   3.4650  150.757   3.7285 -0.000000 0.000000 
1 1 1    0    9  -26 o  102.757   3.3403  3067.86  196.202  3013.61  263.014  3135.94  294.608  101.769   4.4948  103.746   4.9425 -0.000000 0.000000 
1 1 1    0   10  -26 o   10.524   5.3964 -516.3888  178.187 -452.1740  250.271 -582.4023  253.753   10.931   7.8806   10.116   7.3742 -0.000000 0.000000 
1 1 1    0   11  -26 o   73.338   5.1179  1622.48  206.612  1299.72  292.090  1945.70  292.297   65.468   8.0516   81.209   6.3202 -0.000000 0.000000 
1 1 1    0   12  -26 o   77.051   4.4435  1737.85  193.164  1630.64  254.657  1883.12  296.427   74.297   6.0259   79.806   6.5320 -0.000000 0.000000 
1 1 1    0   13  -26 o   22.051   8.4969  140.971  177.582  346.970  248.915 -72.5584  253.423   28.425   13.418   15.678   10.429 -0.000000 0.000000 
1 1 1    0   14  -26 o  169.760   2.3629  8338.19  231.416  8229.21  323.092  8453.01  331.619  168.622   3.3205  170.898   3.3628 -0.000000 0.000000 
1 1 1    0   15  -26 o  199.669   2.3099 11526.53  264.857 11607.21  395.640 11461.01  356.534  200.284   3.4226  199.053   3.1030 -0.000000 0.000000 
1 1 1    0   16  -26 o  212.068   2.3413 13045.92  284.130 12729.35  428.122 13295.11  379.839  209.734   3.5366  214.403   3.0689 -0.000000 0.000000 
1 1 1    0   17  -26 o   38.040   8.6123  538.207  151.401  545.839  172.409  512.490  316.483   41.162   8.1623   34.918   15.168 -0.000000 0.000000 
1 1 1    0   18  -26 o  257.660   2.4222 19204.82  356.835 19207.81  543.668 19202.55  472.968  257.646   3.6553  257.674   3.1793 -0.000000 0.000000 
1 1 1    0   19  -26 o   56.417   5.0158  969.091  152.734  952.373  238.766  980.671  198.707   55.658   7.8842   57.176   6.2025 -0.000000 0.000000 
1 1 1    0   20  -26 o   93.001   3.7673  2548.06  197.892  2415.18  301.870  2648.20  262.057   90.724   5.8160   95.279   4.7899 -0.000000 0.000000 
1 1 1    0   21  -26 o  197.492   1.9700 11303.21  214.905 11359.22  267.896 11202.10  359.940  198.225   2.3408  196.759   3.1693 -0.000000 0.000000 
1 1 1    0   22  -26 o  301.538   2.8495 26287.01  494.922 26896.74  728.258 25763.73  674.661  304.761   4.1392  298.314   3.9174 -0.000000 0.000000 
1 1 1    0   23  -26 o   29.396   8.7895  372.668  158.133  424.751  192.547  264.750  277.164   33.722   11.129   25.069   13.608 -0.000000 0.000000 
1 1 1    0   24  -26 o   26.469   10.280  293.380  226.748  268.420  318.884  318.907  322.487   25.638   14.351   27.300   14.722 -0.000000 0.000000 
1 1 1    0   25  -26 o  107.804   3.2040  3416.00  176.992  3453.62  208.388  3318.60  335.310  109.105   3.3140  106.503   5.4845 -0.000000 0.000000 
1 1 1    0   26  -26 o   56.570   5.9490  983.560  177.490  1046.75  284.776  943.418  226.966   57.704   9.2601   55.435   7.4707 -0.000000 0.000000 
1 1 1    0   27  -26 o   40.516   9.1670  608.459  188.575  673.838  282.795  556.110  253.049   42.803   13.091   38.228   12.836 -0.000000 0.000000 
1 1 1    0   28  -26 o   64.059   3.7940  1211.98  137.477  1155.16  184.268  1283.30  206.464   62.395   5.1964   65.722   5.5294 -0.000000 0.000000 
1 1 1    0   29  -26 o   81.505   4.6705  2052.11  186.552  2132.93  218.393  1833.98  358.797   85.340   4.4588   77.671   8.2081 -0.000000 0.000000 
1 1 1    0   30  -26 o   10.136   5.2216 -445.1769  148.695 -611.0876  194.614 -212.4776  230.480   7.7910   5.7511   12.481   8.7170 -0.000000 0.000000 
1 1 1    0   31  -26 o   16.277   7.1362   59.118  135.287   12.342  192.658  104.620  190.018   14.982   9.6505   17.573   10.515 -0.000000 0.000000 
1 1 1    0   32  -26 o   32.465   9.2046  432.514  185.670  660.810  277.924  248.498  249.520   41.471   13.181   23.458   12.851 -0.000000 0.000000 
1 1 1    0   33  -26 o  126.016   3.2100  4596.29  228.262  4353.48  291.650  4980.17  366.712  121.931   4.1525  130.100   4.8962 -0.000000 0.000000 
1 1 1    0   34  -26 o  112.869   3.6516  3825.71  230.979  4055.73  301.461  3498.70  359.440  117.417   4.4601  108.322   5.7831 -0.000000 0.000000 
1 1 1    0   35  -26 o   61.278   6.6682  1214.17  216.593  1141.63  281.881  1318.74  338.435   59.409   8.7783   63.148   10.040 -0.000000 0.000000 
1 1 1    0   36  -26 f  120.063   3.9176  4371.25  258.994  5884.36  373.467  2969.36  359.479  141.141   4.5926   98.985   6.3480 -0.000000 0.000000 
1 1 1    0   37  -26 o   20.619   9.2603  125.249  242.146  222.141  348.960   35.269  336.284   22.554   13.856   18.683   12.289 -0.000000 0.000000 
1 1 1    0   38  -26 f   62.532   8.1982  1414.41  245.927  982.690  353.864  1817.74  342.026   49.482   14.275   75.582   8.0668 -0.000000 0.000000 
1 1 1    0   39  -26 o   58.138   8.3018  1393.45  247.456  2464.64  358.873  422.489  341.672   88.946   7.0896   27.329   15.014 -0.000000 0.000000 
1 1 1    0   40  -26 o   14.960   8.9865   87.500  139.892   87.500  139.892   0.0000   0.0000   14.960   8.9865   14.960   8.9865 -0.000000 0.000000 
1 1 1    0   41  -26 o   25.231   9.8107  324.196  198.586  544.968  344.447  214.277  243.045   30.092   15.499   20.370   12.033 -0.000000 0.000000 
1 1 1    0    0  -27 o   39.198   7.6730  652.938  162.868  850.214  200.381  268.909  279.576   52.915   6.8778   25.481   13.719 -0.000000 0.000000 
1 1 1    0    1  -27 o   80.340   3.4963  1950.06  151.341  2097.47  189.734  1692.23  250.928   84.902   3.8879   75.778   5.8122 -0.000000 0.000000 
1 1 1    0    2  -27 o   25.495   8.6023  284.827  152.858  160.850  279.028  337.988  182.715   21.884   12.909   29.105   11.373 -0.000000 0.000000 
1 1 1    0    3  -27 o   54.585   5.4360  892.134  155.208  675.831  203.520  1192.80  239.947   46.096   8.4947   63.075   6.7854 -0.000000 0.000000 
1 1 1    0    4  -27 o   46.949   7.2707  817.967  139.388  576.095  275.864  900.889  161.524   38.828   13.586   55.069   5.1841 -0.000000 0.000000 
1 1 1    0    5  -27 o  225.192   2.2184 14665.71  288.289 14673.89  413.337 14657.95  402.292  225.249   3.1787  225.135   3.0953 -0.000000 0.000000 
1 1 1    0    6  -27 o   26.621   8.9793  263.833  152.258  436.198  271.690  184.915  183.838   32.256   14.054   20.987   11.180 -0.000000 0.000000 
1 1 1    0    7  -27 o   86.386   3.1218  2134.75  151.250  1996.91  191.683  2362.16  246.210   82.802   4.0300   89.971   4.7689 -0.000000 0.000000 
1 1 1    0    8  -27 o   64.238   4.6922  1213.04  171.946   0.0000   0.0000  1213.04  171.946   64.238   4.6922   64.238   4.6922 -0.000000 0.000000 
1 1 1    0    9  -27 o  190.869   2.1643 10522.06  237.622 10721.85  352.369 10355.44  321.805  192.517   3.1711  189.220   2.9463 -0.000000 0.000000 
1 1 1    0   10  -27 o   74.028   4.8047  1608.56  199.939  1397.81  266.803  1878.51  301.961   68.394   6.9166   79.661   6.6708 -0.000000 0.000000 
1 1 1    0   11  -27 o  134.817   2.5202  5262.02  171.421  5257.60  199.028  5274.71  337.369  134.816   2.5582  134.818   4.3430 -0.000000 0.000000 
1 1 1    0   12  -27 o   9.8991   5.0951 -457.1567  154.927 -474.8327  199.583 -430.3569  245.752   8.8560   6.4652   10.942   7.8766 -0.000000 0.000000 
1 1 1    0   13  -27 o  104.797   3.2671  3196.72  196.851  3205.44  276.758  3187.80  280.050  104.949   4.5860  104.646   4.6547 -0.000000 0.000000 
1 1 1    0   14  -27 o   86.117   4.2104  2160.76  208.270   0.0000   0.0000  2160.76  208.270   86.117   4.2104   86.117   4.2104 -0.000000 0.000000 
1 1 1    0   15  -27 o  122.935   2.4837  4404.63  172.494  4254.91  269.923  4507.98  224.261  121.106   3.8681  124.763   3.1167 -0.000000 0.000000 
1 1 1    0   16  -27 o  207.293   2.4207 12438.28  287.221 12404.89  434.824 12464.12  382.561  207.018   3.6394  207.568   3.1929 -0.000000 0.000000 
1 1 1    0   17  -27 o  147.333   2.8732  6342.29  239.569  6567.48  313.663  6027.00  371.150  150.567   3.6117  144.099   4.4694 -0.000000 0.000000 
1 1 1    0   18  -27 o  112.310   2.7825  3699.08  174.008  3513.47  280.940  3814.61  221.641  109.908   4.4424  114.711   3.3520 -0.000000 0.000000 
1 1 1    0   19  -27 o   35.116   10.079  437.019  177.243  437.019  177.243   0.0000   0.0000   35.116   10.079   35.116   10.079 -0.000000 0.000000 
1 1 1    0   20  -27 o   35.624   8.7576  482.424  160.586  476.239  205.893  492.030  256.590   36.091   11.265   35.157   13.412 -0.000000 0.000000 
1 1 1    0   21  -27 o   37.611   8.4618  546.517  177.181  745.009  245.833  331.945  255.596   47.611   10.178   27.611   13.521 -0.000000 0.000000 
1 1 1    0   22  -27 o   66.451   4.6165  1304.61  169.922  1245.53  217.958  1396.16  271.324   64.696   5.9489   68.207   7.0610 -0.000000 0.000000 
1 1 1    0   23  -27 o   44.859   6.6840  663.311  144.642  646.740  242.588  672.452  180.172   43.236   11.242   46.483   7.2330 -0.000000 0.000000 
1 1 1    0   24  -27 o   20.794   7.9457  171.710  142.755   63.048  215.822  256.229  190.342   17.306   10.752   24.281   11.702 -0.000000 0.000000 
1 1 1    0   25  -27 o  183.544   2.2365  9826.49  214.850  9594.92  396.784  9922.55  255.556  181.881   3.7810  185.206   2.3901 -0.000000 0.000000 
1 1 1    0   26  -27 o  107.260   3.2438  3340.01  200.529   0.0000   0.0000  3340.01  200.529  107.260   3.2438  107.260   3.2438 -0.000000 0.000000 
1 1 1    0   27  -27 o   11.434   5.6537 -219.6507  128.217 -31.1053  202.110 -346.6390  165.867   14.435   9.5057   8.4322   6.1237 -0.000000 0.000000 
1 1 1    0   28  -27 o   14.616   6.8142 -33.2646  144.177  -0.4608  226.484 -55.6159  186.951   15.938   10.339   13.295   8.8791 -0.000000 0.000000 
1 1 1    0   29  -27 o   80.862   4.1765  1944.95  190.992  1932.59  288.638  1954.58  254.734   80.471   6.2993   81.253   5.4857 -0.000000 0.000000 
1 1 1    0   30  -27 o   62.980   4.5842  1186.51  161.262  1063.86  213.277  1350.23  246.412   59.144   6.4372   66.816   6.5286 -0.000000 0.000000 
1 1 1    0   31  -27 o   76.187   4.5405  1635.74  174.738  1513.33  201.910  2000.92  348.752   71.413   4.9501   80.962   7.6131 -0.000000 0.000000 
1 1 1    0   32  -27 o  187.528   2.7127 10302.42  285.818 10431.09  366.234 10101.96  457.126  189.272   3.3527  185.784   4.2654 -0.000000 0.000000 
1 1 1    0   33  -27 o   81.427   3.8458  2009.23  167.940  1900.33  286.951  2065.97  207.116   79.188   6.3691   83.667   4.3124 -0.000000 0.000000 
1 1 1    0   34  -27 o   83.166   3.6041  2025.17  165.879  2215.12  276.912  1918.85  207.161   85.881   5.6387   80.451   4.4905 -0.000000 0.000000 
1 1 1    0   35  -27 o   55.140   6.3261  943.736  194.588   0.0000   0.0000  943.736  194.588   55.140   6.3261   55.140   6.3261 -0.000000 0.000000 
1 1 1    0   36  -27 o   43.366   9.9442  834.552  247.819  511.846  358.302  1130.50  343.128   30.660   15.804   56.073   12.074 -0.000000 0.000000 
1 1 1    0   37  -27 o   34.497   6.8930  471.157  118.640  531.705  150.126  370.447  193.616   40.256   7.1223   28.737   11.804 -0.000000 0.000000 
1 1 1    0   38  -27 o   13.553   6.8163 -221.3619  178.960 -139.6696  356.088 -248.9686  207.002   16.357   11.282   10.750   7.6523 -0.000000 0.000000 
1 1 1    0   39  -27 o   13.604   6.8310 -268.8284  212.433 -294.8354  363.472 -255.3357  261.802   14.777   10.447   12.431   8.8037 -0.000000 0.000000 
1 1 1    0    0  -28 o  293.349   2.4306 24839.78  411.382 23805.49  569.685 25966.83  594.686  286.974   3.4383  299.724   3.4364 -0.000000 0.000000 
1 1 1    0    1  -28 o   32.492   9.5773  434.632  179.581  437.090  255.142  432.219  252.807   32.586   13.575   32.397   13.514 -0.000000 0.000000 
1 1 1    0    2  -28 o   96.731   2.5534  2683.23  139.881  2542.38  180.200  2896.78  221.887   93.601   3.3431   99.862   3.8603 -0.000000 0.000000 
1 1 1    0    3  -28 o   76.386   4.0796  1655.86  165.418  1554.54  197.883  1890.92  301.405   72.831   4.7508   79.940   6.6334 -0.000000 0.000000 
1 1 1    0    4  -28 o  175.357   2.3460  8894.52  237.343  9101.74  340.337  8698.33  331.158  177.346   3.3254  173.369   3.3101 -0.000000 0.000000 
1 1 1    0    5  -28 o   99.566   2.7221  2856.08  154.578  3047.77  238.047  2716.31  203.262  102.414   4.0388   96.718   3.6507 -0.000000 0.000000 
1 1 1    0    6  -28 o  340.971   2.6810 33603.05  527.889   0.0000   0.0000 33603.05  527.889  340.971   2.6810  340.971   2.6810 -0.000000 0.000000 
1 1 1    0    7  -28 o  129.722   2.3597  4943.08  165.478  5079.70  203.115  4673.42  285.366  132.504   2.6566  126.941   3.9007 -0.000000 0.000000 
1 1 1    0    8  -28 o  369.455   2.8574 39526.55  607.277 39876.18  826.071 39115.39  895.800  371.268   3.8535  367.642   4.2202 -0.000000 0.000000 
1 1 1    0    9  -28 o   14.299   9.4113 -35.9229  197.688 -35.9229  197.688   0.0000   0.0000   14.299   9.4113   14.299   9.4113 -0.000000 0.000000 
1 1 1    0   10  -28 o   68.253   4.9979  1386.20  191.109  1541.72  282.529  1255.02  259.479   71.909   6.9521   64.598   7.1821 -0.000000 0.000000 
1 1 1    0   11  -28 o  108.757   3.5771  3478.11  220.725  3688.56  295.706  3213.33  331.686  112.622   4.5633  104.893   5.5099 -0.000000 0.000000 
1 1 1    0   12  -28 o  201.828   2.0456 11757.58  228.685 11862.74  382.340 11699.00  285.355  202.488   3.2713  201.169   2.4569 -0.000000 0.000000 
1 1 1    0   13  -28 o   39.997   8.6680  624.109  182.521  431.305  290.471  749.906  234.628   31.748   14.528   48.247   9.4587 -0.000000 0.000000 
1 1 1    0   14  -28 o   78.928   5.0622  1848.64  225.467  1807.17  304.076  1899.28  336.032   78.015   6.8713   79.840   7.4356 -0.000000 0.000000 
1 1 1    0   15  -28 o   68.860   4.7748  1423.26  183.594  1488.14  248.029  1344.62  273.052   70.840   6.1700   66.880   7.2888 -0.000000 0.000000 
1 1 1    0   16  -28 o   90.821   3.5010  2304.71  169.236  2691.82  312.272  2143.73  201.373   95.859   5.6863   85.783   4.0857 -0.000000 0.000000 
1 1 1    0   17  -28 o   99.363   3.5176  2881.38  200.707  2858.68  282.647  2904.47  285.053   98.966   4.9737   99.761   4.9757 -0.000000 0.000000 
1 1 1    0   18  -28 o   39.751   10.143  541.260  201.311  541.260  201.311   0.0000   0.0000   39.751   10.143   39.751   10.143 -0.000000 0.000000 
1 1 1    0   19  -28 o   80.626   3.8774  1784.70  160.465  1640.32  186.154  2202.22  316.555   74.891   4.3371   86.361   6.4285 -0.000000 0.000000 
1 1 1    0   20  -28 o   20.020   8.5042  111.046  161.940   79.552  192.330  187.763  300.173   17.098   10.402   22.942   13.457 -0.000000 0.000000 
1 1 1    0   21  -28 o   50.885   8.9383  895.360  228.270  646.607  311.704  1183.07  335.222   40.717   14.527   61.053   10.418 -0.000000 0.000000 
1 1 1    0   22  -28 o   65.769   5.8703  1286.76  218.895  1286.76  218.895   0.0000   0.0000   65.769   5.8703   65.769   5.8703 -0.000000 0.000000 
1 1 1    0   23  -28 o   24.433   8.8112  226.524  174.844   59.504  242.667  406.837  252.140   17.998   11.278   30.868   13.541 -0.000000 0.000000 
1 1 1    0   24  -28 o  268.655   2.0408 20925.76  305.094 21019.71  383.839 20764.58  502.787  269.562   2.4660  267.748   3.2525 -0.000000 0.000000 
1 1 1    0   25  -28 o  172.182   2.3425  8547.00  216.945  8460.23  262.302  8734.88  385.964  170.933   2.6584  173.432   3.8576 -0.000000 0.000000 
1 1 1    0   26  -28 o   28.845   8.4258  377.833  172.672  509.472  207.829   84.437  310.272   37.435   11.056   20.255   12.718 -0.000000 0.000000 
1 1 1    0   27  -28 o   43.738   8.3631  737.719  172.557  814.103  207.620  567.095  310.304   51.053   7.5201   36.423   14.940 -0.000000 0.000000 
1 1 1    0   28  -28 o   54.309   6.2145  898.073  188.322  898.073  188.322   0.0000   0.0000   54.309   6.2145   54.309   6.2145 -0.000000 0.000000 
1 1 1    0   29  -28 o  197.627   2.1796 11262.40  228.591 11543.27  417.218 11141.92  273.255  199.164   3.6299  196.090   2.4137 -0.000000 0.000000 
1 1 1    0   30  -28 o   35.197   9.4826  504.001  189.041  707.992  292.051  356.899  248.006   42.738   13.466   27.656   13.354 -0.000000 0.000000 
1 1 1    0   31  -28 o   67.403   5.3231  1395.35  195.874  1476.13  315.154  1344.50  250.031   68.547   8.2816   66.259   6.6901 -0.000000 0.000000 
1 1 1    0   32  -28 o   10.296   7.4012 -336.3752  213.682 -336.3752  213.682   0.0000   0.0000   10.296   7.4012   10.296   7.4012 -0.000000 0.000000 
1 1 1    0   33  -28 o   59.097   5.4062  1032.78  169.038  1408.15  291.689  842.978  207.417   66.805   7.8430   51.388   7.4429 -0.000000 0.000000 
1 1 1    0   34  -28 o   49.543   6.6536  801.361  164.748  945.412  277.948  723.341  204.554   52.391   10.328   46.694   8.3908 -0.000000 0.000000 
1 1 1    0   35  -28 o   45.096   8.4635  959.464  177.323  507.440  361.560  1102.62  203.474   30.373   15.817   59.819   6.0301 -0.000000 0.000000 
1 1 1    0   36  -28 o   12.618   6.2993 -133.7260  144.808 -88.0888  159.452 -348.4984  345.908   11.128   7.6436   14.107   10.015 -0.000000 0.000000 
1 1 1    0   37  -28 o   99.968   4.1159  2949.10  230.498  3467.28  377.147  2640.16  291.216  106.513   6.1784   93.422   5.4395 -0.000000 0.000000 
1 1 1    0   38  -28 o   30.959   8.2444  461.412  138.093  482.206  150.223  348.038  350.776   37.396   7.9062   24.522   14.470 -0.000000 0.000000 
1 1 1    0    0  -29 o   30.847   5.8038   78.591  165.962 -495.6614  218.416  863.069  255.285   9.4412   6.8773   52.252   9.3509 -0.000000 0.000000 
1 1 1    0    1  -29 o  229.605   1.9833 15250.32  247.198 15265.15  302.045 15220.24  430.188  229.824   2.2761  229.387   3.2486 -0.000000 0.000000 
1 1 1    0    2  -29 o   8.4514   4.4604 -727.2180  156.516 -622.3275  181.666 -1029.3250  308.309   7.3011   5.4019   9.6017   7.0992 -0.000000 0.000000 
1 1 1    0    3  -29 o  248.878   2.0955 18023.87  279.410 18219.32  338.235 17603.88  495.806  251.079   2.3330  246.676   3.4817 -0.000000 0.000000 
1 1 1    0    4  -29 o   57.474   4.8622  998.032  155.154  1008.82  224.475  988.168  214.693   57.734   7.0070   57.215   6.7429 -0.000000 0.000000 
1 1 1    0    5  -29 o   47.649   7.0029  750.981  152.806  711.027  277.718  768.329  182.997   45.086   12.336   50.212   6.6324 -0.000000 0.000000 
1 1 1    0    6  -29 o   50.664   7.1620  897.001  163.652  672.444  281.072  1012.17  201.290   43.189   12.935   58.139   6.1524 -0.000000 0.000000 
1 1 1    0    7  -29 o  166.153   2.0442  8021.09  191.354  7823.50  303.783  8151.06  246.376  164.414   3.2019  167.892   2.5422 -0.000000 0.000000 
1 1 1    0    8  -29 o  186.146   2.4222 10030.73  260.086 10097.00  363.131  9960.94  372.689  186.785   3.3686  185.507   3.4813 -0.000000 0.000000 
1 1 1    0    9  -29 o  144.580   2.8029  6058.79  228.220  6053.13  292.919  6067.54  364.061  144.555   3.5132  144.605   4.3682 -0.000000 0.000000 
1 1 1    0   10  -29 o   94.923   4.1927  2637.83  226.775  2595.62  305.541  2689.60  338.383   94.132   5.6672   95.713   6.1805 -0.000000 0.000000 
1 1 1    0   11  -29 o  142.942   2.6646  5997.39  199.765  6107.48  238.698  5740.03  364.957  145.278   2.8474  140.606   4.5047 -0.000000 0.000000 
1 1 1    0   12  -29 o   14.210   6.8344 -156.8837  151.176 -244.0228  183.334   28.253  267.228   10.280   7.2968   18.140   11.558 -0.000000 0.000000 
1 1 1    0   13  -29 o  150.307   2.8398  6563.84  244.563  6431.90  364.999  6671.33  329.455  148.893   4.2524  151.721   3.7650 -0.000000 0.000000 
1 1 1    0   14  -29 o   70.502   4.9022  1491.60  192.005  1528.01  253.941  1443.01  293.381   71.766   6.2350   69.238   7.5664 -0.000000 0.000000 
1 1 1    0   15  -29 o  195.182   2.5238 11016.26  284.387 11016.26  284.387   0.0000   0.0000  195.182   2.5238  195.182   2.5238 -0.000000 0.000000 
1 1 1    0   16  -29 o  211.652   2.5769 12922.48  313.049 12522.35  418.493 13430.82  471.703  207.969   3.4864  215.336   3.7955 -0.000000 0.000000 
1 1 1    0   17  -29 o  263.885   2.0884 20022.73  304.108 19739.47  376.779 20552.16  515.105  261.288   2.4973  266.483   3.3481 -0.000000 0.000000 
1 1 1    0   18  -29 o   41.184   7.1884  599.372  147.402  745.683  203.117  436.591  214.243   48.850   7.7939   33.517   12.081 -0.000000 0.000000 
1 1 1    0   19  -29 o   8.9924   4.6359 -461.2453  142.216 -429.6025  195.324 -496.9460  207.471   9.0000   6.5495   8.9847   6.5627 -0.000000 0.000000 
1 1 1    0   20  -29 o   67.684   4.5866  1421.91  160.814  1528.73  198.857  1220.02  273.387   72.116   4.8240   63.252   7.8024 -0.000000 0.000000 
1 1 1    0   21  -29 o   56.745   5.2604  962.177  157.490  902.367  194.902  1074.70  267.333   54.572   6.4162   58.918   8.3377 -0.000000 0.000000 
1 1 1    0   22  -29 o   81.196   3.7992  1832.64  162.265  2222.50  306.113  1680.29  191.363   86.674   6.1876   75.719   4.4101 -0.000000 0.000000 
1 1 1    0   23  -29 o  181.603   2.5844  9590.44  270.066  9251.95  392.435  9894.97  372.228  178.510   3.8104  184.695   3.4924 -0.000000 0.000000 
1 1 1    0   24  -29 o   10.893   7.9166 -757.4548  171.089 -859.8775  216.067 -585.2839  280.137   10.893   7.9166   10.893   7.9166 -0.000000 0.000000 
1 1 1    0   25  -29 o   10.203   5.2657 -531.5761  173.489 -544.9582  224.192 -511.6006  273.910   9.2325   6.7522   11.174   8.0818 -0.000000 0.000000 
1 1 1    0   26  -29 o   82.128   3.8705  1972.94  182.661   0.0000   0.0000  1972.94  182.661   82.128   3.8705   82.128   3.8705 -0.000000 0.000000 
1 1 1    0   27  -29 o  102.916   3.6548  3142.19  214.174  2911.26  315.911  3338.61  291.353   99.208   5.5534  106.624   4.7528 -0.000000 0.000000 
1 1 1    0   28  -29 o  150.340   2.2627  6544.54  187.864  6473.03  233.453  6675.92  316.451  149.331   2.7089  151.348   3.6250 -0.000000 0.000000 
1 1 1    0   29  -29 o   16.982   8.1024 -109.2614  235.096   8.4418  314.183 -259.0165  354.388   18.271   11.968   15.692   10.925 -0.000000 0.000000 
1 1 1    0   30  -29 o   18.504   10.837  139.924  194.170  139.924  194.170   0.0000   0.0000   18.504   10.837   18.504   10.837 -0.000000 0.000000 
1 1 1    0   31  -29 o   10.841   7.7213 -272.1055  211.895 -272.1055  211.895   0.0000   0.0000   10.841   7.7213   10.841   7.7213 -0.000000 0.000000 
1 1 1    0   32  -29 o   51.220   8.9096  994.458  221.719  1073.08  284.518  872.881  353.802   56.821   9.4578   45.620   15.102 -0.000000 0.000000 
1 1 1    0   33  -29 o   43.125   8.8040  719.414  190.207  712.201  270.637  726.455  267.379   42.698   12.622   43.551   12.277 -0.000000 0.000000 
1 1 1    0   34  -29 o   70.226   5.3660  1492.83  214.713   0.0000   0.0000  1492.83  214.713   70.226   5.3660   70.226   5.3660 -0.000000 0.000000 
1 1 1    0   35  -29 o   27.322   10.455  413.116  229.465  407.961  301.011  420.268  354.547   27.411   14.388   27.234   15.173 -0.000000 0.000000 
1 1 1    0   36  -29 o   45.272   5.3053  680.573  120.592  699.086  152.994  650.203  195.958   47.186   5.8570   43.358   8.8477 -0.000000 0.000000 
1 1 1    0   37  -29 o   13.267   6.7786 -535.9692  255.087 -229.2377  369.038 -816.6075  352.992   15.405   10.817   11.128   8.1718 -0.000000 0.000000 
1 1 1    0    0  -30 o   90.554   4.3214  2456.95  217.767  2721.63  288.967  2109.06  331.292   96.589   5.2148   84.519   6.8924 -0.000000 0.000000 
1 1 1    0    1  -30 o   18.755   7.9623 -46.3055  185.983  275.731  261.409 -376.4023  264.660   25.409   13.389   12.102   8.6213 -0.000000 0.000000 
1 1 1    0    2  -30 o  258.987   1.9900 19478.05  284.651 19100.95  475.776 19688.29  355.244  256.977   3.2068  260.997   2.3571 -0.000000 0.000000 
1 1 1    0    3  -30 o   42.402   7.5216  650.205  158.512  447.021  236.948  814.794  213.259   33.483   12.919   51.320   7.7077 -0.000000 0.000000 
1 1 1    0    4  -30 f  172.581   2.4883  8612.33  247.899   0.0000   0.0000  8612.33  247.899  172.581   2.4883  172.581   2.4883 -0.000000 0.000000 
1 1 1    0    5  -30 o   54.137   5.6442  876.617  172.082  876.617  172.082   0.0000   0.0000   54.137   5.6442   54.137   5.6442 -0.000000 0.000000 
1 1 1    0    6  -30 o   84.887   3.5375  2102.29  171.789  2245.28  250.939  1976.17  235.671   87.625   4.9957   82.149   5.0099 -0.000000 0.000000 
1 1 1    0    7  -30 o   63.150   5.6509  1203.90  195.957  1355.55  292.587  1080.55  263.882   66.942   7.8502   59.357   8.1305 -0.000000 0.000000 
1 1 1    0    8  -30 o  155.553   2.6854  7026.55  235.299  7079.88  302.578  6944.96  374.263  156.363   3.3540  154.742   4.1947 -0.000000 0.000000 
1 1 1    0    9  -30 o   17.136   7.9654 -383.0284  221.739 -893.4899  301.818  215.613  326.849   9.9745   7.3459   24.298   14.136 -0.000000 0.000000 
1 1 1    0   10  -30 f   53.672   7.3482  921.348  202.182  1040.79  301.992  824.319  272.184   57.272   10.057   50.072   10.717 -0.000000 0.000000 
1 1 1    0   11  -30 o   58.499   5.6092  1009.02  163.155  954.659  192.911  1145.61  305.775   56.394   6.1041   60.604   9.4123 -0.000000 0.000000 
1 1 1    0   12  -30 o  323.760   2.7526 30308.57  514.615 30308.57  514.615   0.0000   0.0000  323.760   2.7526  323.760   2.7526 -0.000000 0.000000 
1 1 1    0   13  -30 o   75.561   5.3160  1679.90  229.351   0.0000   0.0000  1679.90  229.351   75.561   5.3160   75.561   5.3160 -0.000000 0.000000 
1 1 1    0   14  -30 o   42.357   7.8891  622.252  165.677  620.545  250.844  623.574  220.653   41.691   12.011   43.023   10.232 -0.000000 0.000000 
1 1 1    0   15  -30 o   19.925   11.672  140.413  225.337  140.413  225.337   0.0000   0.0000   19.925   11.672   19.925   11.672 -0.000000 0.000000 
1 1 1    0   16  -30 o  118.959   2.1948  4103.52  150.432  4143.99  209.082  4060.08  216.604  119.579   3.0318  118.340   3.1744 -0.000000 0.000000 
1 1 1    0   17  -30 o   81.412   3.8081  1909.69  170.277  1813.04  210.870  2090.82  288.667   78.658   4.6797   84.166   6.0088 -0.000000 0.000000 
1 1 1    0   18  -30 o   43.010   7.4773  620.541  159.987  746.605  245.464  527.435  210.951   47.541   10.180   38.479   10.955 -0.000000 0.000000 
1 1 1    0   19  -30 o   15.886   7.0941   8.5721  142.852 -88.1832  196.516  116.988  208.020   13.114   8.8618   18.659   11.080 -0.000000 0.000000 
1 1 1    0   20  -30 o  134.859   2.6684  5278.26  207.331  5142.07  286.934  5427.06  299.916  133.043   3.7409  136.675   3.8062 -0.000000 0.000000 
1 1 1    0   21  -30 o   45.615   8.8142  674.732  207.234   0.0000   0.0000  674.732  207.234   45.615   8.8142   45.615   8.8142 -0.000000 0.000000 
1 1 1    0   22  -30 o  109.675   3.1879  3493.85  201.542  3493.85  201.542   0.0000   0.0000  109.675   3.1879  109.675   3.1879 -0.000000 0.000000 
1 1 1    0   23  -30 o   17.958   8.0486   60.117  169.913 -14.7472  320.914   89.279  200.292   18.501   12.111   17.415   10.604 -0.000000 0.000000 
1 1 1    0   24  -30 o   13.811   6.7490 -290.1358  199.346 -788.4888  332.928 -11.6091  248.894   11.272   8.2419   16.350   10.690 -0.000000 0.000000 
1 1 1    0   25  -30 o   72.943   5.0482  1695.69  182.556  1425.04  327.642  1817.55  219.844   67.452   8.8295   78.435   4.8969 -0.000000 0.000000 
1 1 1    0   26  -30 o   78.681   3.3679  1833.23  151.299  1886.32  208.250  1773.89  220.188   79.984   4.5416   77.377   4.9743 -0.000000 0.000000 
1 1 1    0   27  -30 o   75.974   3.8420  1719.89  166.199  1674.54  226.160  1773.14  245.057   74.938   5.2859   77.009   5.5771 -0.000000 0.000000 
1 1 1    0   28  -30 o   44.941   7.7060  709.037  172.850  805.577  258.668  631.149  232.339   48.276   10.599   41.605   11.188 -0.000000 0.000000 
1 1 1    0   29  -30 o   49.006   7.6015  846.290  175.337  806.251  302.167  866.615  215.288   45.899   13.149   52.113   7.6321 -0.000000 0.000000 
1 1 1    0   30  -30 o   76.789   3.9762  1807.38  164.657  1878.88  205.559  1679.37  275.054   79.556   4.5069   74.021   6.5520 -0.000000 0.000000 
1 1 1    0   31  -30 o   12.054   6.0778 -370.7799  193.843 -720.1002  320.344 -168.9866  243.477   11.000   8.0476   13.108   9.1103 -0.000000 0.000000 
1 1 1    0   32  -30 o   33.867   9.1913  496.097  185.410  313.165  247.316  730.849  280.163   24.814   13.037   42.919   12.959 -0.000000 0.000000 
1 1 1    0   33  -30 o   14.028   6.8522 -164.1335  190.322 -39.6529  261.876 -303.4870  277.079   15.471   10.387   12.586   8.9399 -0.000000 0.000000 
1 1 1    0   34  -30 o   54.128   6.6488  1023.54  173.396  1111.77  219.765  878.037  282.228   59.493   6.6041   48.763   11.542 -0.000000 0.000000 
1 1 1    0   35  -30 o   14.554   7.0861 -46.3081  152.977 -33.2779  169.076 -105.1226  359.210   12.465   8.3621   16.643   11.442 -0.000000 0.000000 
1 1 1    0   36  -30 f   20.275   7.6407  213.990  144.789  290.015  157.991 -184.7267  361.812   24.949   10.709   15.601   10.902 -0.000000 0.000000 
1 1 1    0    0  -31 o   33.768   9.9820  468.977  195.199  454.831  284.797  481.509  268.067   32.990   14.390   34.546   13.839 -0.000000 0.000000 
1 1 1    0    1  -31 o  139.694   2.5972  5639.79  207.372  5531.86  274.416  5783.48  316.629  138.170   3.4437  141.218   3.8888 -0.000000 0.000000 
1 1 1    0    2  -31 o   52.732   7.4865  904.568  201.001  1010.36  287.304  803.146  281.306   56.573   9.6315   48.892   11.464 -0.000000 0.000000 
1 1 1    0    3  -31 o   61.054   6.5740  1231.96  180.899  1329.73  215.951  1001.95  331.225   67.008   5.6737   55.099   11.861 -0.000000 0.000000 
1 1 1    0    4  -31 o   69.979   5.1763  1568.94  167.234  1282.00  325.422  1671.91  194.945   64.369   9.3224   75.588   4.5021 -0.000000 0.000000 
1 1 1    0    5  -31 o  245.357   1.6583 17402.05  234.938 17277.84  331.873 17526.84  332.632  244.478   2.3509  246.236   2.3395 -0.000000 0.000000 
1 1 1    0    6  -31 f   19.851   8.6953   53.920  181.152 -11.9374  216.045  209.860  332.444   15.498   10.070   24.203   14.178 -0.000000 0.000000 
1 1 1    0    7  -31 o  249.883   2.4307 18070.71  350.628 17915.11  492.409 18230.75  499.391  248.793   3.4284  250.974   3.4468 -0.000000 0.000000 
1 1 1    0    8  -31 o   96.189   3.0762  2658.86  167.460  2898.23  265.317  2500.35  215.898   99.703   4.6303   92.674   4.0513 -0.000000 0.000000 
1 1 1    0    9  -31 o   63.051   7.9509  1505.96  210.378  624.724  317.331  2197.00  281.007   39.644   14.851   86.458   5.6840 -0.000000 0.000000 
1 1 1    0   10  -31 o   50.470   7.1837  730.667  168.504  616.546  194.827  1069.47  335.693   43.639   8.7093   57.302   11.427 -0.000000 0.000000 
1 1 1    0   11  -31 o  378.962   3.0312 41543.20  663.339 41543.20  663.339   0.0000   0.0000  378.962   3.0312  378.962   3.0312 -0.000000 0.000000 
1 1 1    0   12  -31 o   16.566   7.8656 -142.1682  216.230 -290.2252  305.624   6.2228  305.969   14.364   10.033   18.768   12.116 -0.000000 0.000000 
1 1 1    0   13  -31 o   17.344   7.9481 -10.6347  191.100   62.847  247.548 -119.0119  300.634   18.267   11.422   16.421   11.056 -0.000000 0.000000 
1 1 1    0   14  -31 o  120.592   3.3608  4238.48  233.077  4219.84  335.636  4255.85  323.918  120.313   4.8482  120.872   4.6558 -0.000000 0.000000 
1 1 1    0   15  -31 o   77.585   5.1562  1890.61  208.695  2111.48  263.620  1519.80  341.580   84.728   5.4386   70.441   8.7616 -0.000000 0.000000 
1 1 1    0   16  -31 o  149.298   2.8559  6466.87  245.195  6585.36  361.463  6365.87  333.715  150.538   4.1647  148.058   3.9088 -0.000000 0.000000 
1 1 1    0   17  -31 o   24.413   9.4218  134.965  182.914   0.9525  214.314  494.437  351.003   15.628   10.108   33.199   15.903 -0.000000 0.000000 
1 1 1    0   18  -31 f   82.527   3.6474  1993.17  165.260  2042.70  276.780  1965.72  206.013   83.114   5.8320   81.940   4.3819 -0.000000 0.000000 
1 1 1    0   19  -31 o   78.488   5.6324  1881.04  245.755  2089.92  341.263  1656.03  354.198   83.515   7.1982   73.461   8.6649 -0.000000 0.000000 
1 1 1    0   20  -31 o  121.433   3.1094  4299.42  216.434  4263.50  291.982  4343.23  322.450  120.926   4.1921  121.940   4.5934 -0.000000 0.000000 
1 1 1    0   21  -31 o   42.106   8.5246  712.370  166.304  528.632  330.546  774.642  192.433   34.281   15.507   49.931   7.0849 -0.000000 0.000000 
1 1 1    0   22  -31 o   41.003   7.9978  622.701  160.454  546.615  263.296  667.651  202.374   36.763   13.445   45.242   8.6656 -0.000000 0.000000 
1 1 1    0   23  -31 o   71.911   5.0834  1569.34  204.586  1373.82  281.512  1788.18  297.836   66.870   7.5356   76.952   6.8249 -0.000000 0.000000 
1 1 1    0   24  -31 o   21.797   9.1487  186.539  201.393  102.940  334.952  233.873  252.040   20.748   13.105   22.845   12.770 -0.000000 0.000000 
1 1 1    0   25  -31 o   9.9555   7.3573 -1157.7159  210.081 -1024.5990  327.236 -1251.0439  274.000   9.9555   7.3573   9.9555   7.3573 -0.000000 0.000000 
1 1 1    0   26  -31 o   54.311   7.3105  990.513  196.026  993.151  322.688  988.971  246.780   52.990   12.102   55.632   8.2043 -0.000000 0.000000 
1 1 1    0   27  -31 o   15.723   7.5712 -130.3954  207.961  -0.7811  313.347 -232.4288  278.016   17.864   11.787   13.583   9.5052 -0.000000 0.000000 
1 1 1    0   28  -31 o   90.057   3.5047  2512.45  163.921  2675.59  198.673  2164.58  290.118   95.496   3.6140   84.619   6.0059 -0.000000 0.000000 
1 1 1    0   29  -31 o  101.185   3.4789  3025.90  182.780  3094.98  341.539  2998.17  216.373  101.356   5.8798  101.015   3.7202 -0.000000 0.000000 
1 1 1    0   30  -31 o   8.3187   4.3649 -826.1015  172.101 -859.3064  265.546 -802.0531  225.986   8.7914   6.5065   7.8461   5.8201 -0.000000 0.000000 
1 1 1    0   31  -31 o   18.206   8.3953   18.120  216.144  187.204  324.811 -116.2579  289.564   21.288   13.210   15.123   10.365 -0.000000 0.000000 
1 1 1    0   32  -31 o   22.076   8.3791  177.588  173.266 -46.5647  237.040  434.756  253.898   14.585   9.8190   29.567   13.580 -0.000000 0.000000 
1 1 1    0   33  -31 o   20.987   8.9802   67.013  175.596 -62.3784  200.499  492.975  363.786   13.058   8.8600   28.916   15.623 -0.000000 0.000000 
1 1 1    0   34  -31 o   64.198   6.3751  1293.26  231.021   0.0000   0.0000  1293.26  231.021   64.198   6.3751   64.198   6.3751 -0.000000 0.000000 
1 1 1    0    0  -32 o   71.450   5.8509  1520.40  218.891  1046.36  291.014  2138.01  332.172   57.833   9.4774   85.067   6.8639 -0.000000 0.000000 
1 1 1    0    1  -32 o   13.770   6.7427 -199.2535  180.575 -242.1432  287.052 -171.1661  232.295   14.302   9.9283   13.237   9.1261 -0.000000 0.000000 
1 1 1    0    2  -32 o   11.608   5.8633 -345.4953  171.585 -471.7913  287.690 -275.7642  213.768   12.046   8.6483   11.171   7.9195 -0.000000 0.000000 
1 1 1    0    3  -32 o   20.767   8.7241  112.335  184.757   13.019  242.682  249.259  284.948   16.958   10.887   24.576   13.635 -0.000000 0.000000 
1 1 1    0    4  -32 o   16.798   7.7760 -12.3839  167.029  -2.9026  317.820 -16.0020  196.329   18.954   12.278   14.643   9.5457 -0.000000 0.000000 
1 1 1    0    5  -32 o   15.332   7.2508 -72.3425  172.434 -154.1146  293.483 -29.2324  213.093   15.680   10.662   14.984   9.8298 -0.000000 0.000000 
1 1 1    0    6  -32 o   70.680   4.8047  1468.29  194.052  1468.29  194.052   0.0000   0.0000   70.680   4.8047   70.680   4.8047 -0.000000 0.000000 
1 1 1    0    7  -32 o   18.729   10.879  127.721  193.114  127.721  193.114   0.0000   0.0000   18.729   10.879   18.729   10.879 -0.000000 0.000000 
1 1 1    0    8  -32 o   76.799   6.1524  1918.51  228.939  2614.94  314.057  1128.73  334.442   94.333   5.8151   59.265   10.844 -0.000000 0.000000 
1 1 1    0    9  -32 o   44.774   8.1642  639.635  190.344  639.635  190.344   0.0000   0.0000   44.774   8.1642   44.774   8.1642 -0.000000 0.000000 
1 1 1    0   10  -32 o  109.997   3.5061  3513.36  221.022  3784.90  328.668  3289.18  298.632  113.864   5.0201  106.130   4.8958 -0.000000 0.000000 
1 1 1    0   11  -32 o   50.796   5.7648  830.893  147.539  641.443  214.738  1000.29  203.056   43.973   9.6611   57.620   6.2925 -0.000000 0.000000 
1 1 1    0   12  -32 o   88.504   4.6367  2291.55  235.519   0.0000   0.0000  2291.55  235.519   88.504   4.6367   88.504   4.6367 -0.000000 0.000000 
1 1 1    0   13  -32 o   79.606   5.2032  1867.56  228.363  2447.54  346.732  1423.24  303.482   90.850   6.6917   68.361   7.9695 -0.000000 0.000000 
1 1 1    0   14  -32 o   74.916   4.4870  1686.81  183.734  1613.86  298.619  1731.25  233.073   73.234   7.2214   76.599   5.3276 -0.000000 0.000000 
1 1 1    0   15  -32 o  159.293   2.8796  7373.60  262.315  7354.67  349.006  7398.17  397.679  159.125   3.8025  159.460   4.3253 -0.000000 0.000000 
1 1 1    0   16  -32 o   11.618   5.9889 -650.1708  218.004 -541.8807  337.541 -727.6697  285.548   13.008   9.3438   10.227   7.4940 -0.000000 0.000000 
1 1 1    0   17  -32 o  163.445   2.5765  7760.27  242.851  7780.04  348.492  7741.60  338.609  163.635   3.6917  163.256   3.5952 -0.000000 0.000000 
1 1 1    0   18  -32 o   68.109   4.8333  1455.05  171.316  1580.84  214.546  1233.73  284.582   73.099   5.1403   63.119   8.1866 -0.000000 0.000000 
1 1 1    0   19  -32 o  175.669   2.5148  8960.28  254.427  9111.00  372.660  8828.68  348.212  177.023   3.6485  174.314   3.4619 -0.000000 0.000000 
1 1 1    0   20  -32 o   99.780   3.9638  2909.53  227.602   0.0000   0.0000  2909.53  227.602   99.780   3.9638   99.780   3.9638 -0.000000 0.000000 
1 1 1    0   21  -32 o   14.223   6.7929 -83.0134  159.728 -77.7867  249.478 -86.6443  207.934   15.041   10.110   13.406   9.0754 -0.000000 0.000000 
1 1 1    0   22  -32 o   62.894   5.7433  1196.32  168.964  1157.35  194.132  1318.07  343.132   62.051   5.5174   63.737   10.075 -0.000000 0.000000 
1 1 1    0   23  -32 o   78.047   5.2147  1907.40  221.270  2080.27  289.114  1662.97  343.787   83.222   6.0901   72.873   8.4665 -0.000000 0.000000 
1 1 1    0   24  -32 o   55.200   5.9594  932.413  165.649  850.668  199.062  1116.48  298.704   52.107   6.9633   58.294   9.6732 -0.000000 0.000000 
1 1 1    0   25  -32 o   82.124   3.5313  2006.29  165.942  2063.09  240.522  1954.69  229.239   83.217   5.0470   81.030   4.9405 -0.000000 0.000000 
1 1 1    0   26  -32 f   14.717   7.0646 -98.5400  180.637 -19.2142  262.088 -170.3191  249.309   16.084   10.668   13.350   9.2639 -0.000000 0.000000 
1 1 1    0   27  -32 o   11.343   5.7748 -333.4099  170.121 -536.7134  320.671 -253.7787  200.692   12.115   8.7603   10.571   7.5267 -0.000000 0.000000 
1 1 1    0   28  -32 o   62.322   5.0014  1230.90  163.485  1168.19  272.634  1266.10  204.288   60.122   8.3031   64.522   5.5780 -0.000000 0.000000 
1 1 1    0   29  -32 o   13.286   6.6177 -265.9663  197.091 -382.9499  270.049 -132.6327  288.303   11.687   8.3885   14.885   10.238 -0.000000 0.000000 
1 1 1    0   30  -32 o   24.460   8.7226  301.450  156.758  238.842  230.257  355.534  214.011   21.823   12.203   27.098   12.467 -0.000000 0.000000 
1 1 1    0   31  -32 f   46.437   9.6371  896.569  227.514  764.758  335.780  1008.44  309.349   40.462   15.317   52.413   11.699 -0.000000 0.000000 
1 1 1    0   32  -32 o   18.902   8.4140  138.600  187.582 -19.8948  388.222  186.872  214.252   18.237   12.361   19.567   11.418 -0.000000 0.000000 
1 1 1    0   33  -32 o   32.211   8.4005  410.187  155.724  233.998  191.314  756.109  268.069   21.158   11.362   43.265   12.377 -0.000000 0.000000 
1 1 1    0    0  -33 o   14.567   7.1916 -351.4923  212.508 -562.6955  282.452 -75.9816  322.599   11.220   8.1280   17.914   11.866 -0.000000 0.000000 
1 1 1    0    1  -33 o   13.437   9.1260 -110.1370  213.802   0.0000   0.0000 -110.1370  213.802   13.437   9.1260   13.437   9.1260 -0.000000 0.000000 
1 1 1    0    2  -33 o   59.625   5.4134  1140.51  157.373  1237.55  193.067  948.370  271.664   64.650   5.2504   54.600   9.4685 -0.000000 0.000000 
1 1 1    0    3  -33 o  105.841   3.0749  3314.97  170.210  3140.80  309.836  3390.25  203.700  103.601   5.2083  108.080   3.2701 -0.000000 0.000000 
1 1 1    0    4  -33 o   19.021   10.882  139.450  188.735   0.0000   0.0000  139.450  188.735   19.021   10.882   19.021   10.882 -0.000000 0.000000 
1 1 1    0    5  -33 o  113.604   3.2228  3744.52  211.070   0.0000   0.0000  3744.52  211.070  113.604   3.2228  113.604   3.2228 -0.000000 0.000000 
1 1 1    0    6  -33 o   34.352   10.630  506.675  222.787  431.194  312.454  584.736  317.749   31.150   14.995   37.553   15.070 -0.000000 0.000000 
1 1 1    0    7  -33 o   78.870   3.6718  1830.74  165.576  1864.25  235.235  1797.84  233.100   79.602   5.1667   78.138   5.2187 -0.000000 0.000000 
1 1 1    0    8  -33 o   18.432   8.2424 -40.8100  199.508 -249.0957  269.972  209.801  296.134   13.551   9.4574   23.312   13.502 -0.000000 0.000000 
1 1 1    0    9  -33 o  117.425   3.4145  4030.34  230.361  3812.32  326.850  4245.53  324.720  114.210   4.9767  120.640   4.6765 -0.000000 0.000000 
1 1 1    0   10  -33 o   16.860   7.8756 -37.4690  172.976   40.099  331.500 -66.4904  202.769   19.971   12.783   13.749   9.2028 -0.000000 0.000000 
1 1 1    0   11  -33 o   38.205   9.7653  522.235  216.509  283.679  271.782  936.569  358.180   25.362   13.567   51.048   14.049 -0.000000 0.000000 
1 1 1    0   12  -33 o   10.078   7.3024 -450.4698  228.822   0.0000   0.0000 -450.4698  228.822   10.078   7.3024   10.078   7.3024 -0.000000 0.000000 
1 1 1    0   13  -33 o   31.521   9.5880  334.791  174.561  694.797  335.984  201.682  204.299   41.452   15.198   21.589   11.694 -0.000000 0.000000 
1 1 1    0   14  -33 o   72.856   4.2074  1547.04  167.501  1707.22  283.975  1461.57  207.427   75.461   6.6338   70.250   5.1771 -0.000000 0.000000 
1 1 1    0   15  -33 o  ?   ?  -879.1836  222.046   0.0000   0.0000 -879.1836  222.046  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0   16  -33 o  109.264   3.7574  3480.28  236.472   0.0000   0.0000  3480.28  236.472  109.264   3.7574  109.264   3.7574 -0.000000 0.000000 
1 1 1    0   17  -33 o  199.895   2.5887 11580.58  298.746 11580.58  298.746   0.0000   0.0000  199.895   2.5887  199.895   2.5887 -0.000000 0.000000 
1 1 1    0   18  -33 o   51.689   7.3865  799.110  184.075  1222.18  337.939  620.634  219.494   61.168   10.493   42.210   10.399 -0.000000 0.000000 
1 1 1    0   19  -33 o   88.126   3.8998  2275.15  197.605  2275.15  197.605   0.0000   0.0000   88.126   3.8998   88.126   3.8998 -0.000000 0.000000 
1 1 1    0   20  -33 o   13.288   8.9945 -81.0667  204.128 -81.0667  204.128   0.0000   0.0000   13.288   8.9945   13.288   8.9945 -0.000000 0.000000 
1 1 1    0   21  -33 o   27.401   9.3329  338.270  193.655  521.953  271.081  146.829  276.747   34.471   13.935   20.331   12.419 -0.000000 0.000000 
1 1 1    0   22  -33 o   41.723   6.7838  600.717  141.939  629.822  210.206  576.325  192.434   42.591   9.8177   40.854   9.3644 -0.000000 0.000000 
1 1 1    0   23  -33 o   10.730   5.3659 -215.3082  135.737 -198.5510  194.408 -231.2477  189.605   11.025   7.7636   10.436   7.4095 -0.000000 0.000000 
1 1 1    0   24  -33 o   68.512   6.0822  1535.59  218.167  1318.07  338.167  1690.68  285.536   62.908   10.085   74.117   6.8023 -0.000000 0.000000 
1 1 1    0   25  -33 o   30.098   9.4729  410.352  172.533  331.386  220.235  535.816  277.602   26.160   12.590   34.036   14.158 -0.000000 0.000000 
1 1 1    0   26  -33 o   23.136   11.891  262.401  202.496   0.0000   0.0000  262.401  202.496   23.136   11.891   23.136   11.891 -0.000000 0.000000 
1 1 1    0   27  -33 o   11.613   5.7880 -210.8911  153.362 -257.0631  233.354 -175.7852  203.477   11.667   8.2718   11.559   8.0982 -0.000000 0.000000 
1 1 1    0   28  -33 o   35.685   9.4756  528.992  166.668  640.946  337.836  492.979  191.608   35.579   15.675   35.790   10.651 -0.000000 0.000000 
1 1 1    0   29  -33 o   58.479   7.9393  1323.39  195.549  1491.11  234.980  945.587  352.669   69.636   5.9422   47.323   14.725 -0.000000 0.000000 
1 1 1    0   30  -33 o   65.397   7.3097  1482.60  250.366  1511.60  332.103  1444.41  381.066   67.380   8.9807   63.413   11.536 -0.000000 0.000000 
1 1 1    0   31  -33 o   29.829   9.8355  476.435  191.146  493.482  236.965  444.683  323.405   32.317   13.022   27.340   14.744 -0.000000 0.000000 
1 1 1    0    0  -34 o   99.192   3.6279  2776.06  200.895  2483.52  251.294  3294.12  334.414   92.227   4.7465  106.157   5.4879 -0.000000 0.000000 
1 1 1    0    1  -34 o  ?   ?  -1215.7910  177.369 -1295.8230  282.112 -1163.4771  228.089  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0    2  -34 o   35.953   11.653  485.725  213.943   0.0000   0.0000  485.725  213.943   35.953   11.653   35.953   11.653 -0.000000 0.000000 
1 1 1    0    3  -34 o  ?   ?  -1198.4380  170.847 -1167.3870  207.370 -1264.0520  301.441  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0    4  -34 o  119.097   3.6103  4101.80  235.517  3995.30  290.051  4307.89  403.503  117.067   4.3032  121.126   5.7983 -0.000000 0.000000 
1 1 1    0    5  -34 o   80.213   5.6309  1984.96  245.569  2146.25  320.774  1756.59  381.687   84.892   6.6358   75.534   9.0992 -0.000000 0.000000 
1 1 1    0    6  -34 o   68.298   4.8833  1392.84  171.880  1371.26  205.852  1442.54  312.342   68.002   5.3161   68.595   8.1930 -0.000000 0.000000 
1 1 1    0    7  -34 o  ?   ?  -768.3307  200.171 -768.3307  200.171   0.0000   0.0000  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0    8  -34 f   97.059   4.1685  2751.37  232.691  2751.37  232.691   0.0000   0.0000   97.059   4.1685   97.059   4.1685 -0.000000 0.000000 
1 1 1    0    9  -34 o   32.101   12.964  430.641  234.692   0.0000   0.0000  430.641  234.692   32.101   12.964   32.101   12.964 -0.000000 0.000000 
1 1 1    0   10  -34 o   50.867   5.3433  808.741  146.635  800.761  202.661  817.509  212.430   50.676   7.3814   51.058   7.7278 -0.000000 0.000000 
1 1 1    0   11  -34 o   19.132   8.3437  102.292  176.737 -20.3454  330.377  151.458  209.186   18.618   12.223   19.645   11.361 -0.000000 0.000000 
1 1 1    0   12  -34 o   40.432   10.947  683.524  241.011  665.668  330.758  703.736  351.906   39.956   15.224   40.907   15.733 -0.000000 0.000000 
1 1 1    0   13  -34 o   21.285   7.7378  167.540  148.272  333.383  196.813 -50.1193  225.473   27.800   11.954   14.770   9.8286 -0.000000 0.000000 
1 1 1    0   14  -34 o   37.574   9.5353  576.246  185.807  548.512  329.001  589.234  225.151   34.716   15.472   40.431   11.149 -0.000000 0.000000 
1 1 1    0   15  -34 o   9.9661   7.2205 -429.1352  223.372   0.0000   0.0000 -429.1352  223.372   9.9661   7.2205   9.9661   7.2205 -0.000000 0.000000 
1 1 1    0   16  -34 o  145.869   2.7504  6178.15  231.525   0.0000   0.0000  6178.15  231.525  145.869   2.7504  145.869   2.7504 -0.000000 0.000000 
1 1 1    0   17  -34 o   21.111   8.7563  138.820  197.075  319.047  273.443 -55.9844  284.285   25.840   13.673   16.381   10.943 -0.000000 0.000000 
1 1 1    0   18  -34 o   49.667   7.4811  936.177  166.003  1106.09  206.356  624.554  279.457   60.263   6.0702   39.071   13.675 -0.000000 0.000000 
1 1 1    0   19  -34 o   13.474   6.7800 -376.9393  211.489 -162.5896  329.475 -527.1502  275.811   16.003   10.991   10.944   7.9414 -0.000000 0.000000 
1 1 1    0   20  -34 o   75.354   4.1799  1753.86  172.531  1544.40  272.023  1894.83  223.161   70.912   6.7847   79.796   4.8843 -0.000000 0.000000 
1 1 1    0   21  -34 o   16.015   7.4264   8.8141  167.602   1.9017  270.895   13.101  213.334   16.730   11.013   15.301   9.9661 -0.000000 0.000000 
1 1 1    0   22  -34 o   36.599   10.187  621.112  214.438  521.027  337.098  689.141  277.919   31.751   15.532   41.447   13.186 -0.000000 0.000000 
1 1 1    0   23  -34 o   31.348   9.4027  411.311  173.803  654.855  295.105  281.970  215.058   38.753   14.255   23.942   12.265 -0.000000 0.000000 
1 1 1    0   24  -34 o   16.483   7.4437   43.031  161.765  131.102  226.237 -49.0978  231.391   18.466   11.256   14.500   9.7434 -0.000000 0.000000 
1 1 1    0   25  -34 o   57.165   8.1616  1179.17  231.055  1292.56  307.277  1031.63  350.495   62.655   9.0382   51.675   13.593 -0.000000 0.000000 
1 1 1    0   26  -34 o   45.687   10.077  853.544  231.659  762.524  305.115  977.428  355.960   42.534   13.994   48.840   14.504 -0.000000 0.000000 
1 1 1    0   27  -34 o  105.354   2.6966  3276.36  163.577  3331.76  232.252  3221.83  230.423  106.252   3.7958  104.456   3.8312 -0.000000 0.000000 
1 1 1    0   28  -34 o   24.868   8.6598  313.747  198.621  505.758  240.066 -102.8799  353.624   33.169   13.056   16.567   11.381 -0.000000 0.000000 
1 1 1    0   29  -34 o   17.598   7.9991 -33.3581  219.853  278.177  281.187 -523.3582  352.647   22.501   13.103   12.694   9.1797 -0.000000 0.000000 
1 1 1    0    0  -35 o   55.929   9.0733  1098.19  251.182  625.679  344.623  1633.67  366.871   38.815   15.715   73.043   9.0738 -0.000000 0.000000 
1 1 1    0    1  -35 o   27.857   9.6092  322.537  190.488  506.645  294.802  190.571  249.590   34.044   14.629   21.670   12.463 -0.000000 0.000000 
1 1 1    0    2  -35 o   9.6652   5.0419 -865.1718  204.487 -895.1200  279.561 -830.7112  299.883   9.2208   6.8133   10.109   7.4339 -0.000000 0.000000 
1 1 1    0    3  -35 o  183.625   2.8886  9822.03  302.854  9852.71  401.073  9781.32  461.952  184.068   3.7763  183.182   4.3721 -0.000000 0.000000 
1 1 1    0    4  -35 o   14.233   6.8307 -150.3735  177.223   3.6485  229.869 -376.0892  278.272   16.065   10.419   12.402   8.8359 -0.000000 0.000000 
1 1 1    0    5  -35 f   58.013   7.2047  1093.89  218.532  1047.76  312.278  1138.16  305.921   56.400   10.711   59.626   9.6392 -0.000000 0.000000 
1 1 1    0    6  -35 o   57.034   6.3648  989.533  202.972  989.533  202.972   0.0000   0.0000   57.034   6.3648   57.034   6.3648 -0.000000 0.000000 
1 1 1    0    7  -35 o   18.126   8.5843 -115.6132  247.593 -244.5064  329.678   51.135  374.978   15.376   10.666   20.877   13.454 -0.000000 0.000000 
1 1 1    0    8  -35 o   13.620   9.2624 -106.5347  221.724 -106.5347  221.724   0.0000   0.0000   13.620   9.2624   13.620   9.2624 -0.000000 0.000000 
1 1 1    0    9  -35 o   81.351   5.0874  1957.59  236.883   0.0000   0.0000  1957.59  236.883   81.351   5.0874   81.351   5.0874 -0.000000 0.000000 
1 1 1    0   10  -35 o   21.409   8.9880  147.143  174.827  285.619  331.333   93.715  205.808   25.285   14.437   17.533   10.710 -0.000000 0.000000 
1 1 1    0   11  -35 o   29.064   9.7350  316.684  174.484  600.855  334.003  210.024  204.626   36.526   15.561   21.601   11.702 -0.000000 0.000000 
1 1 1    0   12  -35 o   23.146   8.3609  243.595  154.347  331.658  199.623  112.689  243.385   27.385   12.049   18.906   11.595 -0.000000 0.000000 
1 1 1    0   13  -35 o   48.432   7.8486  732.024  178.336  1061.11  336.075  603.042  210.402   55.325   11.997   41.538   10.123 -0.000000 0.000000 
1 1 1    0   14  -35 o   42.021   10.128  731.866  223.346  650.983  341.416  792.374  295.298   37.891   15.693   46.152   12.808 -0.000000 0.000000 
1 1 1    0   15  -35 o   53.562   7.5515  927.352  183.244  875.376  213.179  1074.42  358.595   52.634   7.4415   54.490   13.142 -0.000000 0.000000 
1 1 1    0   16  -35 o   79.694   5.0426  1946.35  225.900  1959.56  341.781  1936.10  301.027   79.631   7.5900   79.756   6.6411 -0.000000 0.000000 
1 1 1    0   17  -35 o   68.483   6.0438  1462.74  224.755  1814.45  343.968  1200.69  296.903   76.135   8.0267   60.831   9.0380 -0.000000 0.000000 
1 1 1    0   18  -35 o   13.707   6.8883 -330.7264  218.499 -344.9771  275.032 -306.3418  359.769   12.293   8.7631   15.121   10.630 -0.000000 0.000000 
1 1 1    0   19  -35 o   41.020   9.9380  701.474  211.067  731.621  310.969  675.722  287.409   41.707   14.350   40.333   13.753 -0.000000 0.000000 
1 1 1    0   20  -35 o   16.797   10.459   85.472  205.394   85.472  205.394   0.0000   0.0000   16.797   10.459   16.797   10.459 -0.000000 0.000000 
1 1 1    0   21  -35 o   60.694   5.4529  1175.11  171.342  1183.14  212.740  1160.28  289.078   62.034   6.0714   59.354   9.0594 -0.000000 0.000000 
1 1 1    0   22  -35 f   16.631   7.5840   44.609  171.178  106.827  215.824 -60.9050  281.058   17.533   10.830   15.730   10.620 -0.000000 0.000000 
1 1 1    0   23  -35 o   15.357   7.0319   27.058  149.150 -35.8793  224.513   76.775  199.546   14.451   9.6761   16.263   10.206 -0.000000 0.000000 
1 1 1    0   24  -35 o   73.764   4.5782  1639.44  174.603  1793.65  324.914  1576.83  207.038   75.204   7.6630   72.323   5.0119 -0.000000 0.000000 
1 1 1    0   25  -35 o   39.841   7.3629  590.010  146.333  604.738  210.652  576.275  203.430   40.346   10.461   39.335   10.364 -0.000000 0.000000 
1 1 1    0   26  -35 o   98.254   2.9706  2866.69  167.623  2954.24  245.097  2789.76  229.755   99.615   4.2781   96.892   4.1227 -0.000000 0.000000 
1 1 1    0   27  -35 o   54.301   6.3664  1015.07  165.876  962.809  286.444  1041.44  203.464   51.179   11.047   57.424   6.3313 -0.000000 0.000000 
1 1 1    0    0  -36 o   13.574   6.7360 -297.5050  199.087 -390.7032  272.666 -191.0835  291.368   12.156   8.6761   14.991   10.306 -0.000000 0.000000 
1 1 1    0    1  -36 o   45.647   10.735  721.773  245.871  721.773  245.871   0.0000   0.0000   45.647   10.735   45.647   10.735 -0.000000 0.000000 
1 1 1    0    2  -36 o  144.379   2.6757  6097.78  218.242  5990.58  343.298  6170.49  282.726  143.158   4.1601  145.600   3.3662 -0.000000 0.000000 
1 1 1    0    3  -36 o   12.309   6.2392 -343.2440  185.042 -432.2955  335.857 -304.4306  221.730   13.619   9.7037   10.999   7.8452 -0.000000 0.000000 
1 1 1    0    4  -36 o   42.953   11.576  667.205  248.185   0.0000   0.0000  667.205  248.185   42.953   11.576   42.953   11.576 -0.000000 0.000000 
1 1 1    0    5  -36 o   57.377   6.8241  958.481  186.751  828.385  215.841  1345.91  372.475   51.046   7.8802   63.707   11.144 -0.000000 0.000000 
1 1 1    0    6  -36 o   80.007   5.0525  1942.29  228.617  2030.03  337.869  1868.19  310.489   81.614   7.3025   78.400   6.9846 -0.000000 0.000000 
1 1 1    0    7  -36 o   20.271   8.9976   17.263  246.048  289.879  328.249 -332.3453  371.722   25.074   14.349   15.468   10.860 -0.000000 0.000000 
1 1 1    0    8  -36 o   51.173   7.7591  890.902  200.197  974.367  303.879  826.896  266.108   53.307   11.211   49.039   10.730 -0.000000 0.000000 
1 1 1    0    9  -36 o   71.113   6.4287  1661.07  231.282  1826.51  293.865  1391.78  374.905   77.548   6.6751   64.679   10.989 -0.000000 0.000000 
1 1 1    0   10  -36 o   80.256   5.2844  2006.34  235.013  1723.68  344.657  2251.97  321.289   74.213   8.3083   86.299   6.5323 -0.000000 0.000000 
1 1 1    0   11  -36 o   44.201   8.3117  695.318  176.856  785.829  299.264  646.743  219.236   45.407   13.151   42.994   10.168 -0.000000 0.000000 
1 1 1    0   12  -36 o   78.992   4.8081  1789.51  195.953  1640.95  229.361  2190.99  377.042   73.952   5.4377   84.032   7.9312 -0.000000 0.000000 
1 1 1    0   13  -36 o   15.623   7.5413 -124.4062  212.610 -79.1513  295.479 -172.9903  306.155   16.113   10.882   15.133   10.444 -0.000000 0.000000 
1 1 1    0   14  -36 o   52.123   7.1679  939.672  170.374  968.567  204.615  874.348  307.654   55.823   6.5876   48.423   12.733 -0.000000 0.000000 
1 1 1    0   15  -36 o  ?   ?  -1054.8669  176.779 -955.0078  219.279 -1240.2610  298.780  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0   16  -36 o  141.650   2.9718  5850.62  242.880   0.0000   0.0000  5850.62  242.880  141.650   2.9718  141.650   2.9718 -0.000000 0.000000 
1 1 1    0   17  -36 o   50.652   7.5718  968.453  167.356  1072.45  201.460  736.885  300.624   59.025   6.0558   42.279   13.880 -0.000000 0.000000 
1 1 1    0   18  -36 o   86.150   4.9953  2333.20  238.023  2048.99  363.208  2547.14  315.121   80.616   7.9804   91.684   6.0104 -0.000000 0.000000 
1 1 1    0   19  -36 o   25.386   9.8730  339.460  218.717  410.450  274.507  216.048  361.938   28.320   13.988   22.452   13.937 -0.000000 0.000000 
1 1 1    0   20  -36 o   14.446   6.9893 -115.7978  177.109   1.6844  279.698 -194.4335  228.830   16.678   11.048   12.214   8.5639 -0.000000 0.000000 
1 1 1    0   21  -36 f   22.356   9.0195  121.687  188.493  511.281  331.084 -65.1486  229.278   30.663   15.325   14.048   9.5156 -0.000000 0.000000 
1 1 1    0   22  -36 o   26.788   8.6359  370.135  165.783  452.498  200.993  194.857  293.212   32.764   11.655   20.813   12.746 -0.000000 0.000000 
1 1 1    0   23  -36 o   46.761   9.0300  805.378  205.285  1122.88  350.569  639.697  253.244   54.223   12.898   39.300   12.641 -0.000000 0.000000 
1 1 1    0   24  -36 o   30.396   10.677  481.930  223.730  351.194  280.404  710.975  371.148   25.014   13.652   35.779   16.420 -0.000000 0.000000 
1 1 1    0   25  -36 o   12.765   6.4235 -244.9557  185.133 -211.1247  320.216 -261.9417  226.899   14.363   10.084   11.167   7.9603 -0.000000 0.000000 
1 1 1    0    0  -37 o   36.431   11.232  583.855  246.432  510.486  335.538  669.776  363.108   33.495   15.600   39.367   16.164 -0.000000 0.000000 
1 1 1    0    1  -37 o   21.934   8.9948   88.062  184.893 -70.6208  221.726  450.258  334.984   14.022   9.4565   29.847   15.304 -0.000000 0.000000 
1 1 1    0    2  -37 o   11.464   8.1056 -243.0214  218.918   0.0000   0.0000 -243.0214  218.918   11.464   8.1056   11.464   8.1056 -0.000000 0.000000 
1 1 1    0    3  -37 o   17.144   8.2679 -183.3361  256.540 -395.4631  357.247   42.516  368.624   14.359   10.191   19.929   13.022 -0.000000 0.000000 
1 1 1    0    4  -37 o   13.751   6.9396 -377.8109  213.251 -164.6348  356.370 -496.7258  266.165   16.666   11.443   10.836   7.8547 -0.000000 0.000000 
1 1 1    0    5  -37 o   32.046   10.536  428.205  204.377  308.659  242.629  720.239  379.220   25.206   13.002   38.886   16.582 -0.000000 0.000000 
1 1 1    0    6  -37 o   30.092   9.0896  450.862  187.371  537.814  216.422  190.621  374.412   37.489   11.442   22.694   14.127 -0.000000 0.000000 
1 1 1    0    7  -37 o   15.884   7.6007 -41.5688  177.934 -12.5267  202.038 -141.9594  375.635   14.413   9.4953   17.355   11.871 -0.000000 0.000000 
1 1 1    0    8  -37 o   44.265   7.3515  688.786  163.094  641.268  223.504  742.908  238.529   42.297   10.576   46.234   10.214 -0.000000 0.000000 
1 1 1    0    9  -37 o   23.095   9.5937  234.423  210.675  326.372  341.486  177.921  267.689   25.490   14.614   20.700   12.433 -0.000000 0.000000 
1 1 1    0   10  -37 o   79.276   4.4189  1904.89  198.559  2144.99  289.380  1691.28  272.949   84.202   6.0213   74.350   6.4692 -0.000000 0.000000 
1 1 1    0   11  -37 o   55.279   7.1507  964.483  217.770  964.483  217.770   0.0000   0.0000   55.279   7.1507   55.279   7.1507 -0.000000 0.000000 
1 1 1    0   12  -37 o   46.629   8.9210  976.829  186.893  1086.04  213.456  618.120  386.848   59.209   6.4348   34.049   16.641 -0.000000 0.000000 
1 1 1    0   13  -37 o   33.848   9.1298  481.812  169.218  631.897  266.635  380.595  218.966   39.125   13.196   28.570   12.620 -0.000000 0.000000 
1 1 1    0   14  -37 o  ?   ?  -953.2646  209.445 -953.2646  209.445   0.0000   0.0000  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0   15  -37 o  143.313   2.9277  6070.44  222.387  6006.03  401.265  6098.99  267.172  142.184   4.8996  144.442   3.2062 -0.000000 0.000000 
1 1 1    0   16  -37 o   93.840   3.6454  2624.58  192.088  2709.41  305.974  2569.40  246.779   94.763   5.6363   92.917   4.6247 -0.000000 0.000000 
1 1 1    0   17  -37 o   76.736   3.9675  1794.97  171.143  1840.96  226.219  1733.40  261.707   78.257   5.0536   75.215   6.1177 -0.000000 0.000000 
1 1 1    0   18  -37 o   34.715   9.2937  556.223  183.795  445.776  285.291  634.589  240.310   29.185   14.286   40.246   11.891 -0.000000 0.000000 
1 1 1    0   19  -37 o   53.305   8.5898  946.510  243.848   0.0000   0.0000  946.510  243.848   53.305   8.5898   53.305   8.5898 -0.000000 0.000000 
1 1 1    0   20  -37 o   64.775   6.6615  1461.70  199.640  1240.63  354.636  1564.26  241.549   58.291   11.913   71.259   5.9654 -0.000000 0.000000 
1 1 1    0   21  -37 o   39.409   10.842  708.207  228.939  578.771  284.557  945.751  385.491   34.304   14.340   44.514   16.265 -0.000000 0.000000 
1 1 1    0   22  -37 o   26.477   13.324  380.940  251.214  380.940  251.214   0.0000   0.0000   26.477   13.324   26.477   13.324 -0.000000 0.000000 
1 1 1    0    0  -38 o   67.761   7.0113  1627.69  204.901  2315.88  277.786  806.406  303.462   88.430   5.4875   47.093   12.904 -0.000000 0.000000 
1 1 1    0    1  -38 o   12.224   6.2634 -362.6942  184.918 -343.9897  214.294 -417.2345  365.928   10.199   7.3439   14.249   10.148 -0.000000 0.000000 
1 1 1    0    2  -38 o   47.293   8.7870  839.603  200.648  831.144  333.741  844.391  251.095   44.866   14.562   49.720   9.8379 -0.000000 0.000000 
1 1 1    0    3  -38 o   41.469   9.2516  749.873  193.915  590.848  367.099  811.421  228.378   33.579   16.244   49.360   8.8604 -0.000000 0.000000 
1 1 1    0    4  -38 o  121.690   3.9315  4447.57  272.191  4570.34  363.642  4291.15  410.471  123.953   5.0992  119.427   5.9854 -0.000000 0.000000 
1 1 1    0    5  -38 o   10.633   5.6050 -635.8967  187.145 -642.5934  216.419 -616.0435  372.632   8.2682   6.1001   12.998   9.4050 -0.000000 0.000000 
1 1 1    0    6  -38 o   16.388   10.697   22.547  247.659   22.547  247.659   0.0000   0.0000   16.388   10.697   16.388   10.697 -0.000000 0.000000 
1 1 1    0    7  -38 o   42.264   11.081  797.169  256.094  646.016  345.507  981.463  381.508   36.164   15.851   48.365   15.489 -0.000000 0.000000 
1 1 1    0    8  -38 o   47.088   10.795  924.640  258.926  833.938  346.568  1039.23  389.540   44.012   15.152   50.164   15.381 -0.000000 0.000000 
1 1 1    0    9  -38 o   9.2992   6.8595 -788.1221  272.581   0.0000   0.0000 -788.1221  272.581   9.2992   6.8595   9.2992   6.8595 -0.000000 0.000000 
1 1 1    0   10  -38 o   18.686   8.4840   25.283  231.196  230.251  289.448 -335.9556  384.259   22.088   13.092   15.285   10.794 -0.000000 0.000000 
1 1 1    0   11  -38 o   50.666   8.5694  962.793  201.696  901.458  354.672  992.110  245.206   46.166   15.029   55.165   8.2373 -0.000000 0.000000 
1 1 1    0   12  -38 o   16.510   10.266   86.855  197.208   86.855  197.208   0.0000   0.0000   16.510   10.266   16.510   10.266 -0.000000 0.000000 
1 1 1    0   13  -38 o   30.198   14.092  459.567  273.864   0.0000   0.0000  459.567  273.864   30.198   14.092   30.198   14.092 -0.000000 0.000000 
1 1 1    0   14  -38 o  125.933   3.9400  4751.98  284.601  4421.47  387.003  5141.25  419.990  121.176   5.5564  130.691   5.5875 -0.000000 0.000000 
1 1 1    0   15  -38 o   12.909   8.7601 -65.1327  196.128 -65.1327  196.128   0.0000   0.0000   12.909   8.7601   12.909   8.7601 -0.000000 0.000000 
1 1 1    0   16  -38 o   49.004   8.3969  776.940  185.719  635.812  213.629  1213.67  375.804   41.707   10.241   56.300   13.310 -0.000000 0.000000 
1 1 1    0   17  -38 o   11.770   6.0644 -458.7188  200.001 -421.6449  354.081 -476.0893  242.368   13.549   9.7059   9.9909   7.2737 -0.000000 0.000000 
1 1 1    0   18  -38 o   20.399   8.3202  209.107  166.556  269.443  194.353   42.266  323.188   22.918   11.678   17.879   11.855 -0.000000 0.000000 
1 1 1    0   19  -38 o   31.653   10.653  523.370  211.579  449.941  257.557  675.764  371.043   29.253   13.666   34.053   16.347 -0.000000 0.000000 
1 1 1    0    0  -39 o   22.893   9.7588  115.028  250.359 -115.3305  337.903  395.397  372.782   17.132   11.590   28.655   15.704 -0.000000 0.000000 
1 1 1    0    1  -39 o   17.722   7.8461   33.833  184.093  237.265  250.368 -205.6067  271.624   21.961   12.546   13.482   9.4262 -0.000000 0.000000 
1 1 1    0    2  -39 o   18.668   8.6370 -17.3277  209.132 -147.5871  251.638  273.551  376.034   13.582   9.3966   23.754   14.495 -0.000000 0.000000 
1 1 1    0    3  -39 o   61.070   7.7046  1264.64  230.598  1216.70  282.507  1360.34  399.173   61.145   8.4624   60.995   12.878 -0.000000 0.000000 
1 1 1    0    4  -39 o   9.5168   6.9691 -572.4143  244.058   0.0000   0.0000 -572.4143  244.058   9.5168   6.9691   9.5168   6.9691 -0.000000 0.000000 
1 1 1    0    5  -39 o  131.562   3.3142  5141.97  232.533  5144.84  280.824  5135.70  414.738  132.318   3.6812  130.806   5.5121 -0.000000 0.000000 
1 1 1    0    6  -39 o   20.464   9.2828   74.201  247.959 -93.3027  322.471  316.504  387.844   16.258   11.088   24.670   14.891 -0.000000 0.000000 
1 1 1    0    7  -39 f   19.068   8.4792  116.961  199.195   33.996  287.570  193.486  276.183   17.390   11.412   20.746   12.544 -0.000000 0.000000 
1 1 1    0    8  -39 o   14.869   7.1274 -86.3190  187.491 -237.4182  289.277   23.135  246.205   13.585   9.5471   16.153   10.586 -0.000000 0.000000 
1 1 1    0    9  -39 o  122.172   4.1291  4535.13  288.261  4770.13  395.573  4269.04  420.935  125.930   5.4623  118.415   6.1936 -0.000000 0.000000 
1 1 1    0   10  -39 o   33.167   10.289  501.664  219.665  842.744  357.487  294.758  278.431   42.745   15.678   23.589   13.327 -0.000000 0.000000 
1 1 1    0   11  -39 o   37.647   12.785  598.820  249.083   0.0000   0.0000  598.820  249.083   37.647   12.785   37.647   12.785 -0.000000 0.000000 
1 1 1    0   12  -39 o   63.905   6.1128  1267.83  220.870  1267.83  220.870   0.0000   0.0000   63.905   6.1128   63.905   6.1128 -0.000000 0.000000 
1 1 1    0   13  -39 o   72.719   5.2439  1623.75  194.948  1835.47  365.057  1539.28  230.580   74.650   8.7866   70.788   5.7261 -0.000000 0.000000 
1 1 1    0   14  -39 o   36.254   9.1576  582.102  174.754  570.280  275.819  590.031  225.876   34.251   14.092   38.257   11.699 -0.000000 0.000000 
1 1 1    0   15  -39 o   74.263   5.8917  1704.58  249.039   0.0000   0.0000  1704.58  249.039   74.263   5.8917   74.263   5.8917 -0.000000 0.000000 
1 1 1    0    0  -40 o   64.391   8.3781  1402.19  260.686  917.738  351.829  1991.92  388.176   48.921   14.335   79.861   8.6757 -0.000000 0.000000 
1 1 1    0    1  -40 o   20.995   9.5697  157.352  269.241  202.653  379.177  111.285  382.370   21.773   13.832   20.217   13.229 -0.000000 0.000000 
1 1 1    0    2  -40 o   79.083   5.2320  1998.03  227.267  2090.33  296.286  1866.10  354.228   82.285   6.3203   75.881   8.3396 -0.000000 0.000000 
1 1 1    0    3  -40 o   36.147   11.303  667.518  243.715  591.726  311.757  786.628  390.821   33.943   15.060   38.352   16.859 -0.000000 0.000000 
1 1 1    0    4  -40 o   93.608   4.9715  2635.03  267.041  2635.03  267.041   0.0000   0.0000   93.608   4.9715   93.608   4.9715 -0.000000 0.000000 
1 1 1    0    5  -40 o   16.071   7.7912 -73.3077  216.888 -46.5168  260.152 -134.3706  392.755   15.094   10.199   17.047   11.781 -0.000000 0.000000 
1 1 1    0    6  -40 o  112.290   3.8024  3807.79  245.019  3740.47  337.301  3883.00  356.516  111.330   5.2728  113.251   5.4800 -0.000000 0.000000 
1 1 1    0    7  -40 o   37.717   11.324  772.479  270.598  917.104  360.695  586.291  409.256   44.880   15.461   30.553   16.551 -0.000000 0.000000 
1 1 1    0    8  -40 o   78.104   6.4138  2036.95  274.896  2114.36  368.647  1940.00  412.575   80.828   8.0824   75.380   9.9611 -0.000000 0.000000 
1 1 1    0    9  -40 o   36.406   11.360  688.519  243.241  612.060  303.645  825.461  406.368   34.593   14.845   38.218   17.198 -0.000000 0.000000 
1 1 1    0   10  -40 o   94.774   4.3085  2789.72  231.059  2928.58  311.274  2619.29  344.831   97.970   5.5418   91.578   6.5985 -0.000000 0.000000 
1 1 1    1    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2    0 o  152.213   0.9563  6696.46   83.958  7075.78  118.915  6319.43  118.554  156.516   1.3157  147.910   1.3881 -0.000000 0.000000 
1 1 1    1    3    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    4    0 o  280.730   1.8423 22768.72  298.598 23002.38  420.202 22530.37  424.392  282.187   2.5788  279.274   2.6317 -0.000000 0.000000 
1 1 1    1    5    0 o  408.331   2.5304 48167.76  596.615 47844.19  844.113 48490.77  843.371  406.959   3.5920  409.702   3.5648 -0.000000 0.000000 
1 1 1    1    6    0 o   91.170   1.0902  2407.56   57.228  2575.25   80.420  2235.53   81.456   94.399   1.4759   87.941   1.6050 -0.000000 0.000000 
1 1 1    1    7    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    8    0 o   15.445   3.5427   84.906   28.733   61.178   37.480  118.733   44.751   12.207   5.2136   18.684   4.7980 -0.000000 0.000000 
1 1 1    1    9    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   10    0 o  262.407   2.4802 19891.14  375.803   0.0000   0.0000 19891.14  375.803  262.407   2.4802  262.407   2.4802 -0.000000 0.000000 
1 1 1    1   11    0 o   90.012   1.7089  2342.28   88.764   0.0000   0.0000  2342.28   88.764   90.012   1.7089   90.012   1.7089 -0.000000 0.000000 
1 1 1    1   12    0 o  228.895   1.6265 15132.47  214.998   0.0000   0.0000 15132.47  214.998  228.895   1.6265  228.895   1.6265 -0.000000 0.000000 
1 1 1    1   13    0 o  454.737   2.8416 59727.82  746.224   0.0000   0.0000 59727.82  746.224  454.737   2.8416  454.737   2.8416 -0.000000 0.000000 
1 1 1    1   14    0 o   80.749   1.3873  1884.64   64.657   0.0000   0.0000  1884.64   64.657   80.749   1.3873   80.749   1.3873 -0.000000 0.000000 
1 1 1    1   15    0 o  527.499   3.2287 80370.91  983.567   0.0000   0.0000 80370.91  983.567  527.499   3.2287  527.499   3.2287 -0.000000 0.000000 
1 1 1    1   16    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   17    0 o  206.334   1.5635 12296.49  186.290   0.0000   0.0000 12296.49  186.290  206.334   1.5635  206.334   1.5635 -0.000000 0.000000 
1 1 1    1   18    0 o  267.242   1.8700 20627.16  288.587   0.0000   0.0000 20627.16  288.587  267.242   1.8700  267.242   1.8700 -0.000000 0.000000 
1 1 1    1   19    0 o  139.190   1.4032  5596.41  112.777   0.0000   0.0000  5596.41  112.777  139.190   1.4032  139.190   1.4032 -0.000000 0.000000 
1 1 1    1   20    0 o   65.941   1.8272  1258.56   69.465   0.0000   0.0000  1258.56   69.465   65.941   1.8272   65.941   1.8272 -0.000000 0.000000 
1 1 1    1   21    0 o  871.315   7.2956 219381.00  3670.73   0.0000   0.0000 219381.00  3670.73  871.315   7.2956  871.315   7.2956 -0.000000 0.000000 
1 1 1    1   22    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   23    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   24    0 o  689.064   4.2926 137160.41  1708.17   0.0000   0.0000 137160.41  1708.17  689.064   4.2926  689.064   4.2926 -0.000000 0.000000 
1 1 1    1   25    0 o  162.744   2.2513  7653.30  211.508   0.0000   0.0000  7653.30  211.508  162.744   2.2513  162.744   2.2513 -0.000000 0.000000 
1 1 1    1   26    0 o   88.805   1.9457  2280.77   99.686   0.0000   0.0000  2280.77   99.686   88.805   1.9457   88.805   1.9457 -0.000000 0.000000 
1 1 1    1   27    0 o  389.793   2.5464 43887.68  573.190   0.0000   0.0000 43887.68  573.190  389.793   2.5464  389.793   2.5464 -0.000000 0.000000 
1 1 1    1   28    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   29    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   30    0 o  181.703   2.2526  9540.42  236.306   0.0000   0.0000  9540.42  236.306  181.703   2.2526  181.703   2.2526 -0.000000 0.000000 
1 1 1    1   31    0 o  563.337   3.7594 91716.84  1223.01   0.0000   0.0000 91716.84  1223.01  563.337   3.7594  563.337   3.7594 -0.000000 0.000000 
1 1 1    1   32    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   33    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   34    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   35    0 o  284.500   3.2606 23404.77  535.597   0.0000   0.0000 23404.77  535.597  284.500   3.2606  284.500   3.2606 -0.000000 0.000000 
1 1 1    1   36    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   37    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   38    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   39    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   40    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   41    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   42    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   43    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   44    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   45    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   46    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0   -1 o  115.179   1.5431  3833.05  102.604  3833.05  102.604   0.0000   0.0000  115.179   1.5431  115.179   1.5431 -0.000000 0.000000 
1 1 1    1    1   -1 o   52.925   1.0197  808.837   31.166  816.298   44.379  801.576   43.778   53.166   1.4453   52.685   1.4387 0.4815788 2.039336 
1 1 1    1    2   -1 o  269.584   1.3712 21079.51  178.788 20822.26  374.319 21155.54  203.501  268.507   2.4138  270.661   1.3018 -2.153931 2.742483 
1 1 1    1    3   -1 o   42.281   1.1677  516.249   28.515   0.0000   0.0000  516.249   28.515  ?   ?    42.281   1.1677      ?      ? 
1 1 1    1    4   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    5   -1 o  131.428   0.9176  4985.28   56.546  4993.27  124.013  4983.18   63.534  131.492   1.6330  131.363   0.8374 0.1296539 1.835195 
1 1 1    1    6   -1 o  163.963   0.8080  7751.46   72.349  7800.70  124.776  7726.52   88.801  164.354   1.3145  163.572   0.9400 0.7814941 1.616024 
1 1 1    1    7   -1 o  243.183   1.0464 17085.05  138.369 17058.79  240.251 17098.09  169.259  243.041   1.7116  243.326   1.2044 -0.2845459 2.092889 
1 1 1    1    8   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    9   -1 o   94.249   0.9400  2555.54   44.583  2584.97   88.602  2545.56   51.591   94.609   1.6215   93.888   0.9514 0.7217255 1.880043 
1 1 1    1   10   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   11   -1 o  135.655   1.0468  5314.22   82.011   0.0000   0.0000  5314.22   82.011  ?   ?   135.655   1.0468      ?      ? 
1 1 1    1   12   -1 o  575.853   2.8074 96457.15  777.791 94622.75  1637.53 96991.59  883.857  572.218   4.9550  579.488   2.6409 -7.269592 5.614815 
1 1 1    1   13   -1 o  222.821   1.2981 14332.59  147.776 14351.81  286.166 14325.60  172.565  222.918   2.2227  222.724   1.3415 0.1937561 2.596198 
1 1 1    1   14   -1 o  450.595   2.2259 58931.79  473.105 58151.43  1025.22 59142.93  533.281  448.657   3.9566  452.533   2.0404 -3.875977 4.451717 
1 1 1    1   15   -1 o  422.004   1.7454 51393.68  419.497 51674.07  650.550 51194.09  548.847  422.984   2.6630  421.024   2.2571 1.959473 3.490888 
1 1 1    1   16   -1 o  690.074   4.2578 137563.30  1696.94   0.0000   0.0000 137563.30  1696.94  ?   ?   690.074   4.2578      ?      ? 
1 1 1    1   17   -1 o  717.981   4.4953 148913.00  1864.06   0.0000   0.0000 148913.00  1864.06  ?   ?   717.981   4.4953      ?      ? 
1 1 1    1   18   -1 o  638.701   3.3012 118245.10  1061.30 117021.80  2096.74 118666.50  1230.58  636.417   5.7045  640.985   3.3241 -4.567383 6.602366 
1 1 1    1   19   -1 o  442.668   2.3475 56749.27  520.221 56289.52  1036.92 56903.91  601.382  441.448   4.0670  443.889   2.3458 -2.441345 4.695061 
1 1 1    1   20   -1 o  837.046   4.5359 202324.41  2088.91 202915.70  3543.80 202009.50  2585.92  837.897   7.3231  836.194   5.3546 1.703491 9.071865 
1 1 1    1   21   -1 o  203.817   1.1606 11996.29  136.516 11990.35  189.436 12002.71  196.904  203.764   1.6097  203.869   1.6723 -0.1046295 2.321170 
1 1 1    1   22   -1 o  269.500   1.9176 20975.16  298.478   0.0000   0.0000 20975.16  298.478  ?   ?   269.500   1.9176      ?      ? 
1 1 1    1   23   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   24   -1 o   80.342   2.7998  1864.35  129.915  1864.35  129.915   0.0000   0.0000   80.342   2.7998  ?   ?       ?      ? 
1 1 1    1   25   -1 o  270.464   1.9565 21126.38  305.619   0.0000   0.0000 21126.38  305.619  ?   ?   270.464   1.9565      ?      ? 
1 1 1    1   26   -1 o  445.690   2.5046 57411.98  604.000 57320.23  1058.70 57456.27  735.427  445.390   4.1157  445.990   2.8551 -0.6007385 5.009117 
1 1 1    1   27   -1 o  196.963   1.6752 11204.13  190.564   0.0000   0.0000 11204.13  190.564  ?   ?   196.963   1.6752      ?      ? 
1 1 1    1   28   -1 o  377.608   2.5992 41190.73  566.839   0.0000   0.0000 41190.73  566.839  ?   ?   377.608   2.5992      ?      ? 
1 1 1    1   29   -1 o  278.614   2.1184 22414.14  338.263 22305.49  450.800 22554.14  511.724  277.852   2.8092  279.376   3.1715 -1.524139 4.236737 
1 1 1    1   30   -1 o  674.124   4.3922 131435.91  1710.06   0.0000   0.0000 131435.91  1710.06  ?   ?   674.124   4.3922      ?      ? 
1 1 1    1   31   -1 f  299.698   2.0758 25912.37  358.920 26971.44  522.500 24966.11  493.886  305.484   2.9615  293.912   2.9095 11.57129 4.151617 
1 1 1    1   32   -1 o  212.439   2.3656 13040.90  290.247   0.0000   0.0000 13040.90  290.247  ?   ?   212.439   2.3656      ?      ? 
1 1 1    1   33   -1 o   55.255   2.7793  929.827   84.114  1108.60  110.531  683.843  129.654   61.919   3.0909   48.591   4.6200 13.32755 5.558579 
1 1 1    1   34   -1 o  150.246   1.6796  6521.64  145.748   0.0000   0.0000  6521.64  145.748  ?   ?   150.246   1.6796      ?      ? 
1 1 1    1   35   -1 o  145.339   2.5277  6106.89  212.172   0.0000   0.0000  6106.89  212.172  ?   ?   145.339   2.5277      ?      ? 
1 1 1    1   36   -1 o  183.524   2.5206  9738.03  267.172   0.0000   0.0000  9738.03  267.172  ?   ?   183.524   2.5206      ?      ? 
1 1 1    1   37   -1 o  147.591   2.5532  6298.47  217.636   0.0000   0.0000  6298.47  217.636  ?   ?   147.591   2.5532      ?      ? 
1 1 1    1   38   -1 o  187.986   2.6015 10219.22  282.446   0.0000   0.0000 10219.22  282.446  ?   ?   187.986   2.6015      ?      ? 
1 1 1    1   39   -1 o   94.664   3.2834  2594.09  179.516   0.0000   0.0000  2594.09  179.516  ?   ?    94.664   3.2834      ?      ? 
1 1 1    1   40   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   41   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   42   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   43   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   44   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   45   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   46   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0   -2 o   14.697   2.7884   82.067   23.493  129.956   32.761   31.373   33.707   20.618   2.9202   8.7764   4.7512 -0.000000 0.000000 
1 1 1    1    1   -2 o  391.849   1.2609 44343.67  285.337 43934.27  403.348 44753.80  403.708  390.038   1.7906  393.659   1.7757 -3.621246 2.521719 
1 1 1    1    2   -2 o   85.334   0.7373  2102.83   36.339   0.0000   0.0000  2102.83   36.339  ?   ?    85.334   0.7373      ?      ? 
1 1 1    1    3   -2 o  326.571   1.3225 30764.26  236.527 30688.23  291.241 30911.57  405.380  325.983   1.5469  327.159   2.1455 -1.175140 2.644989 
1 1 1    1    4   -2 o  133.721   0.7044  5164.15   54.396  5239.11   76.845  5088.86   77.011  134.693   0.9878  132.748   1.0045 1.945511 1.408827 
1 1 1    1    5   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    6   -2 o  382.229   1.6076 42124.82  346.677 42520.91  554.195 41870.18  444.353  383.697   2.5009  380.760   2.0207 2.936615 3.215169 
1 1 1    1    7   -2 o  453.871   2.0315 59485.60  532.410 60151.03  762.389 58852.17  743.836  456.348   2.8926  451.395   2.8532 4.952545 4.063038 
1 1 1    1    8   -2 o  270.139   1.3273 21076.92  207.049 20969.32  295.046 21181.31  290.626  269.459   1.8959  270.819   1.8581 -1.359131 2.654608 
1 1 1    1    9   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   10   -2 o  289.283   1.1275 24166.38  188.359 24059.52  264.862 24275.72  267.925  288.636   1.5889  289.929   1.6001 -1.293823 2.254913 
1 1 1    1   11   -2 o  328.269   1.8870 31008.01  337.249 31474.07  586.415 30777.68  412.245  330.094   3.0760  326.444   2.1866 3.649445 3.773940 
1 1 1    1   12   -2 o  408.448   1.9333 48182.60  454.822 48133.53  620.614 48239.54  668.482  408.227   2.6323  408.670   2.8323 -0.4427185 3.866603 
1 1 1    1   13   -2 o  474.275   1.7395 64970.87  476.146 65091.67  661.703 64841.16  685.680  474.734   2.4134  473.816   2.5057 0.9173889 3.478924 
1 1 1    1   14   -2 o  167.893   1.2348  8122.28  113.361  8196.99  195.120  8084.21  139.277  168.472   2.0053  167.313   1.4413 1.158936 2.469589 
1 1 1    1   15   -2 o  704.807   2.8238 143269.30  1126.56 144649.41  1783.85 142353.80  1452.97  707.602   4.3650  702.013   3.5837 5.589172 5.647638 
1 1 1    1   16   -2 o  244.896   1.5366 17283.71  206.190 17436.41  353.377 17204.88  253.889  245.711   2.4902  244.081   1.8010 1.629761 3.073225 
1 1 1    1   17   -2 o  660.561   3.3854 125789.00  1122.52 126585.00  2236.36 125520.90  1297.86  661.892   5.8502  659.231   3.4088 2.661011 6.770881 
1 1 1    1   18   -2 o  681.038   3.4913 133846.00  1184.84 134270.00  2384.61 133707.00  1365.29  681.686   6.0569  680.389   3.4744 1.296692 6.982651 
1 1 1    1   19   -2 o  188.182   1.5454 10226.50  167.963   0.0000   0.0000 10226.50  167.963  ?   ?   188.182   1.5454      ?      ? 
1 1 1    1   20   -2 o  169.290   1.3255  8267.95  119.593  8298.24  215.902  8254.55  143.643  169.511   2.2053  169.068   1.4711 0.4430237 2.650960 
1 1 1    1   21   -2 o  169.492   1.3619  8229.46  125.230  8489.94  220.143  8104.85  152.268  171.457   2.2231  167.527   1.5738 3.929977 2.723787 
1 1 1    1   22   -2 o  178.581   1.3024  9209.58  134.324   0.0000   0.0000  9209.58  134.324  ?   ?   178.581   1.3024      ?      ? 
1 1 1    1   23   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   24   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   25   -2 o  356.995   2.1826 36825.33  432.164 36771.71  719.379 36855.61  540.584  356.776   3.4912  357.213   2.6203 -0.4365845 4.365149 
1 1 1    1   26   -2 o  475.918   2.7934 65439.14  741.209 65467.20  1219.40 65422.70  933.449  475.962   4.4360  475.874   3.3964 0.8859253E-01 5.586871 
1 1 1    1   27   -2 o  278.788   2.2037 22449.11  354.830   0.0000   0.0000 22449.11  354.830  ?   ?   278.788   2.2037      ?      ? 
1 1 1    1   28   -2 o  742.165   4.2069 159002.20  1740.11 160784.50  2872.50 157968.91  2187.08  745.253   6.6738  739.076   5.1238 6.176880 8.413814 
1 1 1    1   29   -2 o  378.680   2.6312 41429.04  575.457   0.0000   0.0000 41429.04  575.457  ?   ?   378.680   2.6312      ?      ? 
1 1 1    1   30   -2 o  227.160   1.5952 14908.35  197.908 14904.50  340.689 14910.32  243.138  227.123   2.5972  227.198   1.8529 -0.7530212E-01 3.190468 
1 1 1    1   31   -2 o  482.994   3.1969 67434.31  891.789   0.0000   0.0000 67434.31  891.789  ?   ?   482.994   3.1969      ?      ? 
1 1 1    1   32   -2 o  284.521   2.1233 23389.23  348.903   0.0000   0.0000 23389.23  348.903  ?   ?   284.521   2.1233      ?      ? 
1 1 1    1   33   -2 o  303.467   2.2242 26612.17  389.822   0.0000   0.0000 26612.17  389.822  ?   ?   303.467   2.2242      ?      ? 
1 1 1    1   34   -2 o  249.928   1.6518 17950.08  226.242 18381.37  388.975 17729.57  278.127  252.150   2.6710  247.707   1.9441 4.443405 3.303619 
1 1 1    1   35   -2 o   92.854   1.7133  2522.65   87.699  2388.28  145.903  2598.66  109.734   90.879   2.7798   94.829   2.0036 -3.950020 3.426643 
1 1 1    1   36   -2 o  163.740   1.6931  7746.46  160.110   0.0000   0.0000  7746.46  160.110  ?   ?   163.740   1.6931      ?      ? 
1 1 1    1   37   -2 o  131.310   1.8091  4982.30  137.201   0.0000   0.0000  4982.30  137.201  ?   ?   131.310   1.8091      ?      ? 
1 1 1    1   38   -2 o  112.568   3.0401  3666.26  197.643   0.0000   0.0000  3666.26  197.643  ?   ?   112.568   3.0401      ?      ? 
1 1 1    1   39   -2 o  222.927   2.7547 14375.72  354.671   0.0000   0.0000 14375.72  354.671  ?   ?   222.927   2.7547      ?      ? 
1 1 1    1   40   -2 o  415.103   4.0058 49962.76  960.347   0.0000   0.0000 49962.76  960.347  ?   ?   415.103   4.0058      ?      ? 
1 1 1    1   41   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   42   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   43   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   44   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   45   -2 o   86.328   4.5512  2183.26  226.916   0.0000   0.0000  2183.26  226.916  ?   ?    86.328   4.5512      ?      ? 
1 1 1    1   46   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1   -3 o  102.237   0.7999  3018.43   47.229  3022.41   66.885  3014.48   66.701  102.304   1.1320  102.170   1.1304 0.1343689 1.599751 
1 1 1    1    2   -3 o  344.192   1.2509 34189.01  246.363 34038.34  326.605 34387.90  375.260  343.314   1.6472  345.069   1.8830 -1.754761 2.501758 
1 1 1    1    3   -3 o   45.099   0.8485  587.519   22.070  590.169   30.446  584.584   32.038   45.207   1.1661   44.992   1.2330 0.2145042 1.697064 
1 1 1    1    4   -3 o  698.663   4.3843 141027.20  1769.09   0.0000   0.0000 141027.20  1769.09  ?   ?   698.663   4.3843      ?      ? 
1 1 1    1    5   -3 f  161.621   0.9395  7543.49   87.696  7538.42  123.963  7548.57  124.080  161.567   1.3285  161.676   1.3288 -0.1086578 1.879003 
1 1 1    1    6   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    7   -3 o  151.221   0.8337  6601.82   71.728  6592.08   93.677  6615.62  111.517  151.087   1.0735  151.355   1.2757 -0.2685089 1.667326 
1 1 1    1    8   -3 o  769.002   4.8124 171000.80  2137.12 172130.80  3007.72 169848.50  3037.19  771.576   6.7495  766.427   6.8615 5.148438 9.624745 
1 1 1    1    9   -3 o  291.038   1.2805 24523.22  209.076 24202.98  337.474 24722.69  266.348  289.489   2.0185  292.587   1.5762 -3.098236 2.560979 
1 1 1    1   10   -3 o  592.506   2.3920 101474.30  797.252 101690.20  1018.57 101132.90  1280.97  593.343   2.9724  591.669   3.7487 1.673401 4.784067 
1 1 1    1   11   -3 o  227.212   1.1838 14901.16  155.229 14717.36  214.766 15102.22  224.619  225.746   1.6473  228.678   1.7007 -2.932007 2.367689 
1 1 1    1   12   -3 o  747.688   3.2980 161522.80  1424.10 160036.70  2002.67 163042.80  2025.49  744.210   4.6594  751.166   4.6688 -6.956177 6.596056 
1 1 1    1   13   -3 o  152.938   0.9921  6754.70   87.629  6772.48  124.062  6737.00  123.790  153.139   1.4027  152.737   1.4033 0.4015808 1.984163 
1 1 1    1   14   -3 o  544.778   3.0676 85908.03  925.489 85152.77  1542.99 86332.42  1156.65  542.868   4.9214  546.687   3.6633 -3.818848 6.135123 
1 1 1    1   15   -3 o  227.992   1.2240 15014.54  160.953 15072.71  222.083 14950.17  233.598  228.457   1.6832  227.526   1.7777 0.9313812 2.448093 
1 1 1    1   16   -3 o  461.942   2.6231 61789.03  670.919 61099.77  1118.45 62176.46  838.541  459.908   4.2108  463.977   3.1293 -4.068573 5.246223 
1 1 1    1   17   -3 o  225.776   1.2095 14720.68  157.704 14702.47  222.247 14739.15  223.815  225.635   1.7055  225.917   1.7154 -0.2812195 2.418900 
1 1 1    1   18   -3 o  640.250   3.4097 118788.40  1200.10 117201.30  2031.18 119639.60  1487.49  636.918   5.5218  643.583   4.0019 -6.665283 6.819467 
1 1 1    1   19   -3 o  1173.13   7.2498 398036.31  4909.08 396781.81  6820.87 399384.41  7070.84  1171.25   10.083  1175.02   10.419 -3.770752 14.49959 
1 1 1    1   20   -3 o  1111.01   4.8473 356682.81  3109.24 355294.31  4336.29 358151.91  4460.59  1108.79   6.7715  1113.22   6.9379 -4.428955 9.694664 
1 1 1    1   21   -3 o  583.169   3.0147 97766.00  902.447 99272.88  1740.59 97212.01  1055.38  586.183   5.1413  580.154   3.1498 6.029236 6.029472 
1 1 1    1   22   -3 o  432.854   3.0455 54115.31  761.354   0.0000   0.0000 54115.31  761.354  ?   ?   432.854   3.0455      ?      ? 
1 1 1    1   23   -3 o  704.974   6.3278 143651.80  2576.39   0.0000   0.0000 143651.80  2576.39  ?   ?   704.974   6.3278      ?      ? 
1 1 1    1   24   -3 o  112.801   1.8936  3676.31  123.250  3644.15  177.773  3706.08  171.027  112.325   2.7403  113.276   2.6142 -0.9514771 3.787284 
1 1 1    1   25   -3 o  529.128   3.0184 80710.58  887.938 81583.34  1474.36 80213.86  1112.28  531.326   4.8046  526.930   3.6549 4.395630 6.036755 
1 1 1    1   26   -3 o  494.868   2.8342 70865.14  773.485 70417.95  1302.51 71108.76  961.351  493.613   4.5689  496.122   3.3551 -2.508514 5.668455 
1 1 1    1   27   -3 o  412.444   2.4747 49334.84  563.537 48522.48  944.043 49784.56  702.414  409.761   3.9891  415.128   2.9297 -5.366791 4.949373 
1 1 1    1   28   -3 o  201.404   1.9706 11734.40  228.016 11876.71  308.104 11562.07  339.038  202.761   2.6310  200.047   2.9345 2.713577 3.941265 
1 1 1    1   29   -3 o  230.170   1.9754 15302.83  262.603   0.0000   0.0000 15302.83  262.603  ?   ?   230.170   1.9754      ?      ? 
1 1 1    1   30   -3 o  143.490   1.4173  5936.61  102.053  5969.96  203.376  5925.39  117.982  143.747   2.4497  143.233   1.4262 0.5135040 2.834652 
1 1 1    1   31   -3 o  254.278   1.9293 18685.82  283.329 18544.68  400.876 18826.69  400.499  253.318   2.7401  255.238   2.7169 -1.920532 3.858667 
1 1 1    1   32   -3 o  356.638   2.1546 36591.80  427.440 37430.14  710.858 36117.03  534.953  359.769   3.4212  353.506   2.6202 6.263000 4.309266 
1 1 1    1   33   -3 o  301.693   1.8963 26280.32  313.115 26406.24  537.290 26215.56  385.306  302.190   3.0785  301.196   2.2150 0.9942932 3.792561 
1 1 1    1   34   -3 o  160.924   1.7456  7481.96  162.233   0.0000   0.0000  7481.96  162.233  ?   ?   160.924   1.7456      ?      ? 
1 1 1    1   35   -3 o   98.514   1.7666  2781.17   97.113  2899.54  160.983  2713.45  121.764  100.134   2.7836   96.894   2.1759 3.240013 3.533153 
1 1 1    1   36   -3 o  126.869   1.5880  4656.05  111.200  4640.49  187.031  4664.55  138.298  126.687   2.5562  127.051   1.8847 -0.3645935 3.175931 
1 1 1    1   37   -3 o   95.675   2.1506  2641.69  117.897  2598.00  156.565  2698.91  179.175   94.774   2.8604   96.577   3.2123 -1.802567 4.301243 
1 1 1    1   38   -3 o  220.992   1.8435 14113.00  235.287 14113.00  235.287   0.0000   0.0000  220.992   1.8435  ?   ?       ?      ? 
1 1 1    1   39   -3 o  185.903   1.5602  9941.88  159.712 10153.39  271.637  9830.12  197.447  187.376   2.5101  184.430   1.8537 2.946350 3.120368 
1 1 1    1   40   -3 o  203.542   1.8697 11974.54  219.796   0.0000   0.0000 11974.54  219.796  ?   ?   203.542   1.8697      ?      ? 
1 1 1    1   41   -3 f  191.434   1.8131 10582.39  198.935 10436.21  264.630 10772.35  301.668  189.938   2.4124  192.929   2.7074 -2.990768 3.626185 
1 1 1    1   42   -3 f  120.192   1.9183  4181.95  132.935  4170.40  182.670  4194.96  193.822  120.024   2.6352  120.359   2.7883 -0.3348999 3.836509 
1 1 1    1   43   -3 o   80.208   4.1607  1872.00  192.737   0.0000   0.0000  1872.00  192.737  ?   ?    80.208   4.1607      ?      ? 
1 1 1    1   44   -3 o   48.402   4.5890  780.484  109.936  955.776  138.706  484.312  180.295   57.250   4.1950   39.554   8.1631 17.69552 9.177900 
1 1 1    1   45   -3 o   98.860   3.5674  2847.97  203.684   0.0000   0.0000  2847.97  203.684  ?   ?    98.860   3.5674      ?      ? 
1 1 1    1   46   -3 o   99.423   3.5060  2886.94  201.318   0.0000   0.0000  2886.94  201.318  ?   ?    99.423   3.5060      ?      ? 
1 1 1    1   47   -3 o   30.932   7.8860  307.729  141.307   0.0000   0.0000  307.729  141.307  ?   ?    30.932   7.8860      ?      ? 
1 1 1    1   48   -3 f   82.632   3.1199  2000.96  148.893   0.0000   0.0000  2000.96  148.893  ?   ?    82.632   3.1199      ?      ? 
1 1 1    1   49   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0   -4 o   31.797   1.6580  292.359   29.793  329.101   46.099  266.004   39.043   33.500   2.4114   30.094   2.2763 -0.000000 0.000000 
1 1 1    1    1   -4 o  528.201   2.6990 79859.38  669.266 79338.59  751.200 81863.84  1473.70  524.120   2.4816  532.283   4.7938 -8.162598 5.398071 
1 1 1    1    2   -4 o  104.051   0.7655  3128.75   45.270  3114.00   70.521  3139.09   59.041  103.842   1.1759  104.260   0.9805 -0.4181366 1.531024 
1 1 1    1    3   -4 o  644.900   2.3761 120101.40  884.781 118713.50  1235.40 121563.00  1267.77  641.077   3.3367  648.723   3.3837 -7.645813 4.752144 
1 1 1    1    4   -4 o  301.827   1.1181 26312.08  192.104 26328.34  251.327 26289.23  297.931  301.941   1.4412  301.714   1.7098 0.2276611 2.236157 
1 1 1    1    5   -4 o  674.377   2.8365 131603.30  1071.38 132288.20  1360.33 130484.40  1738.69  676.727   3.4805  672.027   4.4797 4.699951 5.672908 
1 1 1    1    6   -4 o  221.250   1.0318 14143.03  129.497 14102.33  203.050 14170.94  168.125  220.980   1.5910  221.519   1.3141 -0.5392761 2.063527 
1 1 1    1    7   -4 o  806.524   5.1834 188120.30  2414.36 189818.09  3416.10 186425.70  3412.76  810.165   7.3008  802.883   7.3598 7.281738 10.36673 
1 1 1    1    8   -4 o  257.141   1.1723 19115.85  169.299 19007.84  273.052 19183.29  215.782  256.548   1.8429  257.734   1.4496 -1.186035 2.344690 
1 1 1    1    9   -4 o  246.307   1.4119 17416.94  173.465 17727.51  349.866 17315.71  199.745  247.747   2.4452  244.867   1.4124 2.880280 2.823778 
1 1 1    1   10   -4 o  148.018   0.9393  6327.25   80.284  6322.30  114.720  6332.00  112.393  147.961   1.3425  148.075   1.3142 -0.1136932 1.878678 
1 1 1    1   11   -4 o  565.974   2.9170 92460.54  819.937 92719.18  1658.24 92376.83  943.324  566.424   5.0690  565.523   2.8882 0.9014893 5.834060 
1 1 1    1   12   -4 o  206.387   1.1236 12301.07  133.923 12166.20  188.984 12437.12  189.811  205.251   1.5942  207.523   1.5837 -2.272797 2.247148 
1 1 1    1   13   -4 o  583.060   2.6493 98204.65  891.486 98159.70  1237.06 98253.20  1285.86  582.925   3.6745  583.194   3.8176 -0.2694092 5.298673 
1 1 1    1   14   -4 o  137.333   1.4746  5450.42  116.836  5535.41  162.304  5359.01  168.322  138.445   2.0299  136.220   2.1395 2.224609 2.949218 
1 1 1    1   15   -4 o  310.808   1.9239 27969.88  331.917 27645.81  550.097 28155.39  416.220  309.382   3.0786  312.234   2.3081 -2.851563 3.847783 
1 1 1    1   16   -4 f  338.216   2.0045 32910.29  364.483 32692.04  440.419 33384.67  649.304  336.452   2.2665  339.980   3.3068 -3.528015 4.008993 
1 1 1    1   17   -4 o  537.060   2.5380 83335.93  782.766 83562.15  1053.15 83056.68  1170.05  537.881   3.3901  536.240   3.7780 1.641418 5.076052 
1 1 1    1   18   -4 o  634.333   2.9349 116307.90  1068.50 116961.10  1435.28 115495.80  1600.35  636.342   3.9053  632.324   4.3822 4.018250 5.869846 
1 1 1    1   19   -4 o  886.481   4.7513 227529.50  2265.84 228293.70  2746.28 225900.00  4009.98  888.934   5.3492  884.027   7.8540 4.907166 9.502604 
1 1 1    1   20   -4 o  474.932   2.8593 65580.97  709.874 66168.96  842.879 64146.27  1316.62  478.647   3.0491  471.218   4.8379 7.428955 5.718540 
1 1 1    1   21   -4 o  626.343   3.4636 113061.00  1209.23 114390.70  1996.00 112290.00  1519.90  629.209   5.4926  623.477   4.2209 5.731934 6.927147 
1 1 1    1   22   -4 o  332.686   2.1380 31675.36  364.531 31340.44  425.403 32600.91  707.180  329.421   2.2360  335.951   3.6448 -6.529541 4.275956 
1 1 1    1   23   -4 o  510.559   2.8645 75323.41  820.083 75225.48  1329.41 75383.57  1041.96  510.266   4.5110  510.851   3.5316 -0.5849915 5.729014 
1 1 1    1   24   -4 o  353.272   2.3769 36051.57  484.742 36080.58  675.613 36020.80  695.893  353.420   3.3100  353.124   3.4122 0.2963867 4.753804 
1 1 1    1   25   -4 o  351.733   2.4280 35752.48  492.708 36023.07  682.621 35458.19  711.890  353.127   3.3471  350.340   3.5183 2.786621 4.856084 
1 1 1    1   26   -4 o  453.331   3.2099 59370.33  840.419   0.0000   0.0000 59370.33  840.419  ?   ?   453.331   3.2099      ?      ? 
1 1 1    1   27   -4 o  346.581   2.5300 34678.08  502.998 34447.89  672.310 34970.76  758.081  345.288   3.3713  347.874   3.7732 -2.585968 5.059931 
1 1 1    1   28   -4 o  493.727   3.4805 70598.30  980.832 71183.86  1294.82 69809.90  1502.43  496.189   4.5183  491.265   5.2953 4.924316 6.961026 
1 1 1    1   29   -4 o  210.311   1.9170 12776.07  232.850   0.0000   0.0000 12776.07  232.850  ?   ?   210.311   1.9170      ?      ? 
1 1 1    1   30   -4 o  473.551   2.5400 64828.63  611.449 64834.81  1192.80 64826.42  712.132  473.439   4.3623  473.663   2.6032 -0.2239685 5.080008 
1 1 1    1   31   -4 o  182.548   1.7299  9625.97  182.378   0.0000   0.0000  9625.97  182.378  ?   ?   182.548   1.7299      ?      ? 
1 1 1    1   32   -4 o   62.228   2.5138  1119.10   90.345   0.0000   0.0000  1119.10   90.345  ?   ?    62.228   2.5138      ?      ? 
1 1 1    1   33   -4 o  307.273   1.9320 27338.24  321.923 27169.01  561.167 27421.25  393.026  306.505   3.1701  308.042   2.2092 -1.537018 3.863907 
1 1 1    1   34   -4 o  236.829   1.6820 16237.58  217.338 16134.36  374.282 16290.08  266.956  236.223   2.7434  237.435   1.9467 -1.211914 3.363945 
1 1 1    1   35   -4 o  199.561   1.5971 11519.44  174.405 11484.64  298.793 11537.42  214.792  199.302   2.5958  199.820   1.8612 -0.5177307 3.194112 
1 1 1    1   36   -4 o   48.985   3.8814  696.715  109.788  680.185  153.613  713.975  156.970   48.391   5.4964   49.579   5.4819 -1.188160 7.762814 
1 1 1    1   37   -4 o   80.762   2.5182  1888.12  117.452  1873.75  164.938  1902.91  167.292   80.451   3.5498   81.073   3.5728 -0.6223679 5.036466 
1 1 1    1   38   -4 o   83.167   1.9609  2001.81   93.464  1991.15  140.989  2010.18  124.836   82.961   2.9426   83.374   2.5925 -0.4125900 3.921720 
1 1 1    1   39   -4 o  108.971   1.8142  3429.91  111.608  3455.26  177.986  3413.48  143.276  109.285   2.8200  108.657   2.2831 0.6280212 3.628333 
1 1 1    1   40   -4 o   48.760   3.4884  675.027   97.090  813.636  151.482  578.389  126.486   52.909   4.9573   44.612   4.9092 8.296959 6.976766 
1 1 1    1   41   -4 o  169.753   1.3261  8330.26  129.990  8324.19  182.322  8336.54  185.383  169.692   1.8603  169.815   1.8902 -0.1228638 2.652121 
1 1 1    1   42   -4 o  167.852   1.9003  8146.78  184.219   0.0000   0.0000  8146.78  184.219  ?   ?   167.852   1.9003      ?      ? 
1 1 1    1   43   -4 o   36.295   5.3627  403.427  108.675  418.269  158.195  390.163  149.548   36.921   7.6694   35.669   7.4975 1.252426 10.72531 
1 1 1    1   44   -4 o  155.446   1.8815  7005.99  167.449  7003.73  222.650  7008.92  254.064  155.459   2.4798  155.433   2.8302 0.2572632E-01 3.762906 
1 1 1    1   45   -4 o   60.851   3.8701  1140.86  126.687  1249.81  158.084  945.286  211.802   65.365   4.1876   56.337   6.5095 9.027245 7.740118 
1 1 1    1   46   -4 o   97.951   2.4930  2732.35  130.388  2622.88  155.556  2990.96  239.087   94.939   2.8370  100.963   4.1002 -6.023941 4.986005 
1 1 1    1   47   -4 o   63.704   3.7315  1074.52  126.623  880.544  148.159  1600.07  243.874   54.475   4.7092   72.934   5.7896 -18.45921 7.463012 
1 1 1    1   48   -4 o   42.041   10.562  619.023  256.135   0.0000   0.0000  619.023  256.135  ?   ?    42.041   10.562      ?      ? 
1 1 1    1   49   -4 o   47.991   6.0277  916.731  134.318  1085.95  157.783  471.325  255.986   60.186   4.5392   35.795   11.168 24.39092 12.05543 
1 1 1    1   50   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1   -5 o  106.541   0.7135  3277.97   43.888  3279.90   61.287  3275.94   62.877  106.573   0.9957  106.508   1.0222 0.6442261E-01 1.426977 
1 1 1    1    2   -5 o  830.241   4.7285 199548.80  2068.68 199934.30  2465.71 198632.30  3801.56  831.796   5.1326  828.686   7.9430 3.109863 9.457041 
1 1 1    1    3   -5 o   76.677   0.7504  1693.76   31.743  1684.19   39.379  1711.52   53.639   76.368   0.8928   76.985   1.2064 -0.6163101 1.500850 
1 1 1    1    4   -5 o  334.942   1.3204 32397.58  255.400 32511.44  364.040 32287.22  358.407  335.521   1.8786  334.363   1.8560 1.158600 2.640827 
1 1 1    1    5   -5 o  226.644   0.9104 14848.88  118.072 14724.03  179.178 14944.71  156.975  225.800   1.3740  227.488   1.1948 -1.687256 1.820790 
1 1 1    1    6   -5 o  707.029   2.5984 144388.00  1060.85 143410.70  1484.05 145409.20  1517.04  704.585   3.6469  709.474   3.7023 -4.888428 5.196873 
1 1 1    1    7   -5 o  100.892   0.6709  2934.74   38.542  2967.83   59.905  2911.36   50.347  101.376   1.0232  100.407   0.8682 0.9686890 1.341872 
1 1 1    1    8   -5 o  845.413   4.6831 207557.20  2167.60 203795.70  3695.13 209530.59  2676.48  839.373   7.6224  851.452   5.4428 -12.07843 9.366107 
1 1 1    1    9   -5 o   71.433   0.9659  1472.26   39.774  1494.48   58.223  1452.82   54.463   71.937   1.4014   70.928   1.3295 1.009537 1.931722 
1 1 1    1   10   -5 o  365.570   1.4002 38595.14  295.604 38497.04  415.060 38696.11  421.102  365.099   1.9684  366.041   1.9919 -0.9422302 2.800420 
1 1 1    1   11   -5 o  181.060   1.2681  9440.65  123.312  9540.65  219.893  9394.78  148.935  181.754   2.0948  180.365   1.4297 1.388702 2.536204 
1 1 1    1   12   -5 o  581.832   2.4207 97800.59  791.285 97841.20  1008.41 97735.52  1276.47  582.011   3.0000  581.654   3.7998 0.3566895 4.841349 
1 1 1    1   13   -5 o   99.576   1.2831  2839.60   68.588  2928.02  123.008  2799.70   82.625  100.690   2.1153   98.462   1.4530 2.228264 2.566213 
1 1 1    1   14   -5 o  553.576   2.3559 88469.20  725.390 88347.15  910.241 88681.62  1200.81  553.071   2.8496  554.081   3.7525 -1.010254 4.711838 
1 1 1    1   15   -5 o  218.652   1.2364 13816.31  155.849 13978.51  214.753 13635.85  226.526  220.009   1.6901  217.295   1.8050 2.714157 2.472764 
1 1 1    1   16   -5 o  373.101   1.7908 40199.40  385.513 40127.74  533.409 40277.75  557.802  372.754   2.4777  373.448   2.5862 -0.6943359 3.581569 
1 1 1    1   17   -5 o  431.368   2.6308 53961.82  599.718 54284.33  717.009 53210.78  1094.19  433.542   2.8636  429.195   4.4142 4.347076 5.261666 
1 1 1    1   18   -5 f  628.915   3.0087 114352.00  1086.87 115234.30  1465.48 113273.60  1620.28  631.623   4.0173  626.207   4.4801 5.416077 6.017494 
1 1 1    1   19   -5 o  191.201   1.3843 10491.15  145.511 10772.67  248.707 10344.63  179.426  193.137   2.2296  189.265   1.6415 3.872467 2.768700 
1 1 1    1   20   -5 o  459.984   2.8130 61566.32  682.031 62230.20  814.902 60013.70  1246.21  464.181   3.0397  455.787   4.7342 8.394165 5.626042 
1 1 1    1   21   -5 o  687.375   4.7727 136689.30  1886.63 137986.30  2559.36 135145.80  2791.99  690.979   6.4133  683.771   7.0700 7.208374 9.545407 
1 1 1    1   22   -5 o  752.879   4.8160 163873.50  2093.51 164789.20  2931.12 162919.80  2991.14  755.037   6.7217  750.722   6.8988 4.314880 9.631960 
1 1 1    1   23   -5 o  563.388   3.6328 91681.37  1181.62 90385.91  1644.56 93063.85  1698.90  559.279   5.0914  567.497   5.1835 -8.217834 7.265697 
1 1 1    1   24   -5 o  258.340   1.9228 19278.05  286.857 18940.46  405.551 19616.06  405.803  256.076   2.7422  260.604   2.6962 -4.528015 3.845619 
1 1 1    1   25   -5 o  347.667   2.3839 34915.65  478.621 34697.93  671.631 35140.31  682.237  346.567   3.3555  348.768   3.3870 -2.200958 4.767718 
1 1 1    1   26   -5 o  552.479   3.1391 87844.44  961.718 89546.24  1609.63 86899.68  1199.32  556.559   5.0076  548.399   3.7866 8.159241 6.278114 
1 1 1    1   27   -5 f  118.133   1.8633  4009.39  121.487  3957.86  150.536  4105.62  205.730  117.057   2.2267  119.209   2.9881 -2.152588 3.726542 
1 1 1    1   28   -5 o  153.204   1.8798  6789.50  166.114  6525.05  237.739  7041.77  232.201  150.283   2.7391  156.125   2.5752 -5.841461 3.759534 
1 1 1    1   29   -5 o  102.395   2.0878  3036.46  123.151  2911.71  178.370  3150.09  170.238  100.378   3.0768  104.412   2.8231 -4.034096 4.175676 
1 1 1    1   30   -5 o  365.186   2.5240 38561.23  532.267 38944.80  748.865 38169.62  756.674  367.026   3.5328  363.346   3.6058 3.679810 5.048032 
1 1 1    1   31   -5 o   58.185   3.5286  986.923  117.541  1127.96  165.381  842.958  167.090   62.426   4.5871   53.943   5.3632 8.482693 7.057285 
1 1 1    1   32   -5 o  216.384   1.6065 13573.89  190.849 13387.95  323.858 13672.81  236.223  215.222   2.6054  217.546   1.8801 -2.323898 3.212978 
1 1 1    1   33   -5 o   89.209   2.0011  2280.96  101.468  2410.10  160.112  2194.29  131.171   91.292   3.0367   87.125   2.6068 4.166985 4.002135 
1 1 1    1   34   -5 o  254.548   1.7336 18689.28  241.176 18857.23  415.474 18603.93  296.186  255.366   2.8170  253.730   2.0212 1.636612 3.467129 
1 1 1    1   35   -5 o  285.636   2.1743 23602.64  358.618 23568.32  512.099 23635.66  502.366  285.427   3.1065  285.845   3.0430 -0.4178772 4.348610 
1 1 1    1   36   -5 o  101.358   2.2206  2979.34  129.323  2898.34  191.424  3047.36  175.405  100.076   3.3119  102.639   2.9590 -2.562683 4.441224 
1 1 1    1   37   -5 o  174.335   1.5263  8808.32  132.533  8738.24  266.149  8831.42  152.829  173.831   2.6510  174.839   1.5135 -1.007919 3.052642 
1 1 1    1   38   -5 o  120.578   2.0220  4202.21  140.811   0.0000   0.0000  4202.21  140.811  ?   ?   120.578   2.0220      ?      ? 
1 1 1    1   39   -5 o  130.404   2.0723  4915.71  156.071   0.0000   0.0000  4915.71  156.071  ?   ?   130.404   2.0723      ?      ? 
1 1 1    1   40   -5 o  167.177   2.0256  8079.67  195.576   0.0000   0.0000  8079.67  195.576  ?   ?   167.177   2.0256      ?      ? 
1 1 1    1   41   -5 o  221.782   1.6468 14181.38  201.241 14385.22  341.216 14072.66  249.195  222.943   2.6500  220.620   1.9557 2.323074 3.293546 
1 1 1    1   42   -5 o  142.457   1.8826  5880.81  154.770  6035.69  216.541  5719.05  221.293  144.386   2.5968  140.529   2.7266 3.856995 3.765274 
1 1 1    1   43   -5 o  115.552   1.9040  3884.25  115.676  3906.10  137.809  3832.11  212.827  116.188   2.0537  114.917   3.2067 1.270737 3.807959 
1 1 1    1   44   -5 o  125.608   1.9690  4483.00  122.565  4396.44  140.276  4762.33  251.990  123.244   1.9708  127.972   3.4094 -4.728271 3.938043 
1 1 1    1   45   -5 o   82.492   2.6531  1982.90  126.250  2123.36  182.510  1854.02  174.827   85.299   3.7047   79.684   3.7988 5.614792 5.306240 
1 1 1    1   46   -5 o   92.777   2.1834  2515.15  113.851  2483.42  182.796  2535.25  145.524   92.195   3.4330   93.360   2.6989 -1.164711 4.366883 
1 1 1    1   47   -5 o  112.622   2.0352  3702.24  132.305  3709.29  184.210  3694.73  190.148  112.753   2.8288  112.491   2.9268 0.2621155 4.070379 
1 1 1    1   48   -5 o   25.189   6.7012  171.341  131.990  245.287  204.343  118.403  172.897   27.830   9.9917   22.549   8.9327 5.281139 13.40249 
1 1 1    1   49   -5 o   28.201   5.9323  246.088  100.451  189.478  123.563  356.415  172.499   24.218   7.7848   32.184   8.9535 -7.966442 11.86460 
1 1 1    1   50   -5 o   66.934   4.6975  1353.88  181.590   0.0000   0.0000  1353.88  181.590  ?   ?    66.934   4.6975      ?      ? 
1 1 1    1   51   -5 o   25.788   4.8014   18.738  112.000 -342.9720  145.079  552.289  176.203   11.145   5.5604   40.430   7.8291 -29.28435 9.602722 
1 1 1    1   52   -5 o   47.621   6.5424  732.754  179.940   0.0000   0.0000  732.754  179.940  ?   ?    47.621   6.5424      ?      ? 
1 1 1    1    0   -6 o   62.864   0.9968  1142.72   36.138  1133.77   50.437  1152.16   51.804   62.612   1.3964   63.116   1.4228 -0.000000 0.000000 
1 1 1    1    1   -6 o  558.728   1.9441 90093.75  623.392 90805.66  937.319 89529.05  834.783  560.699   2.8945  556.756   2.5961 3.943115 3.888170 
1 1 1    1    2   -6 o   76.940   0.8703  1711.08   37.383  1703.51   61.228  1715.58   47.203   76.804   1.3803   77.076   1.0604 -0.2726212 1.740604 
1 1 1    1    3   -6 o  713.780   2.6911 147199.00  1109.11 146314.09  1582.95 148052.41  1554.47  711.669   3.8513  715.891   3.7597 -4.221741 5.382141 
1 1 1    1    4   -6 o  256.678   1.0047 19004.94  147.251 18885.47  193.895 19167.75  226.340  255.727   1.3128  257.629   1.5212 -1.901962 2.009351 
1 1 1    1    5   -6 o  373.940   2.0017 40383.95  432.301 40383.95  432.301   0.0000   0.0000  373.940   2.0017  ?   ?       ?      ? 
1 1 1    1    6   -6 o  162.118   1.1224  7552.46   89.928  7662.94  183.728  7517.65  103.126  162.891   1.9530  161.345   1.1067 1.545609 2.244729 
1 1 1    1    7   -6 f  262.892   1.6072 19956.67  232.239 19947.78  287.247 19973.45  394.632  262.813   1.8924  262.970   2.5984 -0.1569214 3.214479 
1 1 1    1    8   -6 o  345.758   1.3535 34526.13  270.273 34567.51  382.195 34484.73  382.252  345.966   1.9128  345.551   1.9154 0.4145508 2.706918 
1 1 1    1    9   -6 f  718.832   2.4608 149294.41  1008.19 149429.91  1323.16 149106.70  1556.74  719.243   3.1853  718.422   3.7519 0.8204346 4.921681 
1 1 1    1   10   -6 f  276.950   1.0544 22151.28  166.890 22145.99  255.095 22155.23  220.667  276.920   1.5950  276.980   1.3794 -0.6033325E-01 2.108768 
1 1 1    1   11   -6 o  380.937   1.4734 41910.41  324.024 41939.64  451.627 41879.40  465.151  381.074   2.0520  380.799   2.1150 0.2751160 2.946883 
1 1 1    1   12   -6 o  120.045   1.1239  4133.24   75.060  4058.34   93.837  4266.29  125.071  118.546   1.3706  121.543   1.7817 -2.997322 2.247887 
1 1 1    1   13   -6 o  380.796   1.6257 41888.57  351.542 41823.36  549.539 41933.74  457.367  380.541   2.5004  381.051   2.0782 -0.5101318 3.251333 
1 1 1    1   14   -6 o  181.641   1.0631  9524.39  111.430  9611.04  161.360  9445.40  154.065  182.430   1.5315  180.852   1.4750 1.578537 2.126292 
1 1 1    1   15   -6 o  234.440   1.8458 15874.27  249.430 15887.89  342.285 15858.85  364.233  234.548   2.5268  234.331   2.6913 0.2162628 3.691595 
1 1 1    1   16   -6 o  365.974   2.2141 38520.51  453.501 39337.57  742.762 38034.89  572.624  369.048   3.4848  362.900   2.7321 6.148224 4.428136 
1 1 1    1   17   -6 o  439.104   2.5812 55737.38  603.195 55811.17  724.200 55570.21  1089.97  439.597   2.8525  438.612   4.3028 0.9858704 5.162391 
1 1 1    1   18   -6 o  318.277   2.0084 29309.53  337.303 29387.28  402.496 29126.11  618.191  318.996   2.1847  317.559   3.3706 1.437378 4.016737 
1 1 1    1   19   -6 o  500.774   2.9370 72737.45  776.249 73181.27  927.245 71697.80  1419.19  503.367   3.1895  498.180   4.9325 5.187317 5.873911 
1 1 1    1   20   -6 o  438.813   2.5736 55467.61  634.851 56272.68  1026.31 54968.64  807.981  441.373   4.0261  436.253   3.2068 5.120270 5.147187 
1 1 1    1   21   -6 o  503.168   3.2318 73126.71  939.166 73126.71  939.166   0.0000   0.0000  503.168   3.2318  ?   ?       ?      ? 
1 1 1    1   22   -6 o  996.063   6.3079 287053.19  3628.58 284077.41  5135.73 290019.50  5127.46  990.897   8.9741  1001.23   8.8671 -10.33240 12.61586 
1 1 1    1   23   -6 o  326.800   2.2020 30847.13  415.503 30906.00  594.837 30791.03  580.641  327.103   3.1487  326.496   3.0792 0.6070557 4.404075 
1 1 1    1   24   -6 o  256.009   1.9346 18933.22  286.005 18686.06  405.804 19177.16  403.154  254.348   2.7625  257.670   2.7091 -3.321869 3.869176 
1 1 1    1   25   -6 o  412.047   2.6905 49065.02  640.061 48661.26  915.155 49451.63  895.529  410.384   3.8612  413.710   3.7480 -3.326172 5.381086 
1 1 1    1   26   -6 o  740.972   3.3763 158704.00  1444.71 158029.59  2027.34 159399.70  2059.29  739.377   4.7476  742.566   4.8017 -3.189331 6.752518 
1 1 1    1   27   -6 o  396.452   2.3541 45461.93  506.040 45550.70  617.550 45280.49  882.868  397.084   2.6928  395.819   3.8620 1.264160 4.708112 
1 1 1    1   28   -6 o  353.622   2.4714 36138.34  504.548 36068.69  703.404 36212.16  724.125  353.275   3.4475  353.970   3.5421 -0.6940613 4.942868 
1 1 1    1   29   -6 o  299.586   1.9268 25965.57  315.418 25834.24  541.770 26032.91  387.946  298.983   3.1375  300.189   2.2376 -1.206268 3.853688 
1 1 1    1   30   -6 o  325.833   2.0519 30778.71  362.825 30402.96  630.616 30964.66  443.602  324.295   3.3670  327.370   2.3462 -3.074860 4.103808 
1 1 1    1   31   -6 o  178.721   1.8492  9227.39  190.872  9227.39  190.872   0.0000   0.0000  178.721   1.8492  ?   ?       ?      ? 
1 1 1    1   32   -6 o  211.172   1.8714 12888.94  228.191 12926.17  326.429 12853.35  319.118  211.468   2.6727  210.876   2.6202 0.5924530 3.742889 
1 1 1    1   33   -6 f  172.515   1.5531  8530.78  147.924  8837.36  251.008  8367.65  183.096  174.852   2.4856  170.178   1.8629 4.673569 3.106225 
1 1 1    1   34   -6 o  102.132   2.3038  3016.05  135.843  3085.25  195.290  2951.19  189.082  103.265   3.2745  100.999   3.2415 2.266556 4.607560 
1 1 1    1   35   -6 o  175.428   1.8611  8881.03  188.065  8668.87  255.579  9131.55  277.729  173.155   2.5557  177.702   2.7061 -4.547363 3.722154 
1 1 1    1   36   -6 o  134.505   1.9761  5228.35  153.506   0.0000   0.0000  5228.35  153.506  ?   ?   134.505   1.9761      ?      ? 
1 1 1    1   37   -6 o  182.357   1.6932  9570.53  167.114  9738.97  294.141  9490.25  203.071  183.500   2.7755  181.215   1.9403 2.285309 3.386430 
1 1 1    1   38   -6 o  254.710   2.1009 18771.52  309.049 18815.01  435.544 18727.42  438.595  255.009   2.9573  254.410   2.9850 0.5989075 4.201865 
1 1 1    1   39   -6 o  165.136   2.0916  7897.56  197.229  7931.01  260.416  7852.58  302.035  165.574   2.7233  164.699   3.1753 0.8745575 4.183135 
1 1 1    1   40   -6 o  106.231   2.5015  3264.57  153.474   0.0000   0.0000  3264.57  153.474  ?   ?   106.231   2.5015      ?      ? 
1 1 1    1   41   -6 o  134.798   2.1066  5273.80  163.628  5037.13  235.995  5492.91  227.072  131.863   3.0988  137.733   2.8546 -5.869659 4.213220 
1 1 1    1   42   -6 o  130.180   2.3751  4904.84  178.568   0.0000   0.0000  4904.84  178.568  ?   ?   130.180   2.3751      ?      ? 
1 1 1    1   43   -6 o   99.771   1.8294  2856.57  102.621  2768.30  130.023  3002.40  167.114   97.781   2.3024  101.761   2.8435 -3.979988 3.658736 
1 1 1    1   44   -6 o   51.813   4.5749  781.187  134.745  718.213  173.202  877.730  214.455   49.295   6.0837   54.332   6.8344 -5.036739 9.149821 
1 1 1    1   45   -6 o  108.547   1.7404  3416.16  108.296  3394.61  144.419  3443.85  163.693  108.187   2.3113  108.906   2.6025 -0.7187195 3.480705 
1 1 1    1   46   -6 o   79.067   2.5238  1811.39  111.860  1756.47  141.098  1904.30  183.528   77.586   3.1488   80.548   3.9451 -2.962082 5.047675 
1 1 1    1   47   -6 o   81.217   2.8782  1926.22  135.005  1926.22  135.005   0.0000   0.0000   81.217   2.8782  ?   ?       ?      ? 
1 1 1    1   48   -6 o   91.696   3.3478  2473.43  177.295  2473.43  177.295   0.0000   0.0000   91.696   3.3478  ?   ?       ?      ? 
1 1 1    1   49   -6 o   39.890   8.0779  530.385  179.721  530.385  179.721   0.0000   0.0000   39.890   8.0779  ?   ?       ?      ? 
1 1 1    1   50   -6 o   50.545   6.1561  797.924  179.709  797.924  179.709   0.0000   0.0000   50.545   6.1561  ?   ?       ?      ? 
1 1 1    1   51   -6 o   49.119   5.5947  750.014  158.711  750.014  158.711   0.0000   0.0000   49.119   5.5947  ?   ?       ?      ? 
1 1 1    1   52   -6 o   72.814   3.2312  1576.82  135.882  1576.82  135.882   0.0000   0.0000   72.814   3.2312  ?   ?       ?      ? 
1 1 1    1    0   -7 o  596.729   2.6745 102859.10  921.633 103253.10  1306.01 102468.30  1300.77  597.867   3.7827  595.590   3.7819 -0.000000 0.000000 
1 1 1    1    1   -7 o   66.360   0.7660  1270.73   29.113  1264.34   38.697  1279.07   44.193   66.168   1.0126   66.552   1.1497 -0.3838501 1.532089 
1 1 1    1    2   -7 o  181.713   0.8013  9538.24   83.430  9557.46  111.265  9513.55  126.097  181.923   1.0590  181.503   1.2029 0.4191742 1.602635 
1 1 1    1    3   -7 o  137.459   0.9220  5456.75   73.193  5475.33  103.125  5437.89  103.901  137.695   1.2968  137.223   1.3110 0.4717102 1.844010 
1 1 1    1    4   -7 o  129.494   1.0383  4850.31   62.268  4829.78  138.652  4855.50   69.691  129.320   1.8564  129.668   0.9306 -0.3486633 2.076607 
1 1 1    1    5   -7 o   35.716   1.8663  368.961   38.348  362.314   56.504  374.637   52.215   35.417   2.7623   36.015   2.5103 -0.5979843 3.732550 
1 1 1    1    6   -7 o  173.744   0.9096  8708.47   85.928  8744.61  149.423  8690.61  105.032  174.012   1.4868  173.476   1.0483 0.5352173 1.819222 
1 1 1    1    7   -7 o  356.459   1.1901 36688.35  244.928 36949.79  351.619 36441.92  341.371  357.692   1.7021  355.226   1.6639 2.465973 2.380275 
1 1 1    1    8   -7 o  176.254   1.1600  9053.59  103.124  9141.68  119.888  8803.04  202.198  177.921   1.1667  174.587   2.0053 3.333420 2.320005 
1 1 1    1    9   -7 o  359.327   1.1894 37295.34  246.727 37007.17  353.156 37570.10  344.841  357.970   1.7082  360.684   1.6554 -2.713226 2.378716 
1 1 1    1   10   -7 f  186.491   1.0762 10043.85  115.913 10002.16  163.858 10085.61  163.993  186.104   1.5245  186.879   1.5194 -0.7747803 2.152387 
1 1 1    1   11   -7 o  395.138   1.6069 45056.82  345.336 45200.76  599.973 44985.51  422.304  395.601   2.6260  394.675   1.8527 0.9259644 3.213735 
1 1 1    1   12   -7 o  493.793   1.8224 70415.23  519.551 70145.61  725.180 70699.59  744.723  492.823   2.5478  494.763   2.6062 -1.940521 3.644699 
1 1 1    1   13   -7 o  301.707   1.7651 26224.10  292.950 26076.64  362.214 26502.97  498.114  300.489   2.0871  302.924   2.8471 -2.434845 3.530211 
1 1 1    1   14   -7 o  262.345   1.5660 20017.69  202.724 20150.02  232.962 19604.87  411.464  264.150   1.5270  260.540   2.7345 3.609924 3.131951 
1 1 1    1   15   -7 o  673.271   2.7858 131321.50  1051.17 132569.41  1337.43 129304.90  1700.15  677.489   3.4181  669.052   4.3999 8.436035 5.571574 
1 1 1    1   16   -7 o  388.837   2.1066 43723.68  452.896 43864.55  564.617 43469.50  758.430  389.724   2.5085  387.949   3.3850 1.774811 4.213135 
1 1 1    1   17   -7 o  166.338   1.5792  7990.17  151.709  7990.17  151.709   0.0000   0.0000  166.338   1.5792  ?   ?       ?      ? 
1 1 1    1   18   -7 o  247.701   1.6683 17749.21  228.564 17615.99  382.316 17823.31  285.130  246.973   2.6803  248.429   1.9873 -1.455612 3.336663 
1 1 1    1   19   -7 o  233.487   1.6148 15740.66  207.015 15755.48  352.558 15732.86  255.746  233.567   2.6136  233.406   1.8972 0.1610565 3.229561 
1 1 1    1   20   -7 o  300.410   1.8886 26085.30  311.825 25995.27  529.327 26133.15  385.893  300.006   3.0550  300.813   2.2212 -0.8075562 3.777114 
1 1 1    1   21   -7 o  216.921   1.8593 13588.82  232.791 13552.29  323.314 13628.15  335.453  216.619   2.5843  217.223   2.6739 -0.6043091 3.718628 
1 1 1    1   22   -7 o  263.738   1.9793 20084.28  301.429 20409.25  431.251 19773.86  421.486  265.823   2.8090  261.653   2.7892 4.170227 3.958518 
1 1 1    1   23   -7 o  597.998   3.3710 103684.90  1096.36 104386.40  1343.53 102286.50  1896.77  601.104   3.8700  594.892   5.5207 6.211792 6.742010 
1 1 1    1   24   -7 o  277.906   2.0681 22305.71  331.942   0.0000   0.0000 22305.71  331.942  ?   ?   277.906   2.0681      ?      ? 
1 1 1    1   25   -7 o  438.421   2.8368 55543.41  718.289 55325.57  1016.77 55760.43  1014.86  437.561   4.0234  439.280   4.0002 -1.717957 5.673592 
1 1 1    1   26   -7 o  163.141   1.8852  7692.52  177.525  7433.81  252.011  7947.36  250.117  160.416   2.7201  165.867   2.6109 -5.450867 3.770416 
1 1 1    1   27   -7 o  454.951   2.6519 59830.76  649.424 59848.33  786.940 59793.25  1149.91  455.125   2.9938  454.776   4.3780 0.3491821 5.303782 
1 1 1    1   28   -7 o  370.228   2.5862 39634.08  552.785 38556.41  784.257 40698.10  779.278  365.219   3.7181  375.237   3.5958 -10.01849 5.172456 
1 1 1    1   29   -7 o  114.483   2.0835  3786.91  137.700  3809.84  197.925  3765.40  191.699  114.817   2.9848  114.148   2.9078 0.6693726 4.167022 
1 1 1    1   30   -7 o  216.538   1.6552 13575.26  196.231 13461.59  335.382 13634.44  241.974  215.828   2.6906  217.249   1.9285 -1.420959 3.310361 
1 1 1    1   31   -7 o  146.695   1.8702  6219.71  158.426  6213.50  225.875  6225.72  222.266  146.622   2.6674  146.769   2.6221 -0.1462097 3.740376 
1 1 1    1   32   -7 o  157.354   1.8824  7157.45  171.073  7119.77  241.921  7195.14  241.946  156.939   2.6691  157.769   2.6553 -0.8293610 3.764896 
1 1 1    1   33   -7 o  242.135   1.7408 16942.98  227.611 16934.77  276.534 16960.24  400.781  242.087   1.9778  242.183   2.8654 -0.9594727E-01 3.481686 
1 1 1    1   34   -7 o  118.376   1.9381  4087.23  122.877  3957.39  217.819  4147.83  148.817  116.954   3.2247  119.798   2.1509 -2.843910 3.876241 
1 1 1    1   35   -7 o  261.214   2.0844 19736.83  314.461 19812.10  444.680 19661.54  444.751  261.713   2.9420  260.715   2.9537 0.9980469 4.168859 
1 1 1    1   36   -7 o  118.640   2.4672  4069.52  169.052   0.0000   0.0000  4069.52  169.052  ?   ?   118.640   2.4672      ?      ? 
1 1 1    1   37   -7 f  313.326   2.2880 28380.57  414.043   0.0000   0.0000 28380.57  414.043  ?   ?   313.326   2.2880      ?      ? 
1 1 1    1   38   -7 o  108.156   2.2126  3399.64  133.464  3330.15  218.180  3441.19  168.712  107.237   3.5228  109.074   2.6782 -1.837898 4.425229 
1 1 1    1   39   -7 o  108.770   2.5689  3417.81  157.942  3379.38  202.940  3476.83  251.527  108.033   3.2526  109.507   3.9770 -1.473625 5.137700 
1 1 1    1   40   -7 o  312.329   2.4241 28266.93  437.264 28159.71  617.964 28374.44  618.807  311.735   3.4324  312.924   3.4240 -1.188904 4.848164 
1 1 1    1   41   -7 o   77.328   3.2696  1801.61  133.184  1582.46  236.356  1903.58  161.216   73.632   5.5580   81.024   3.4452 -7.391853 6.539119 
1 1 1    1   42   -7 o  224.729   3.2519 14649.21  422.072 14649.21  422.072   0.0000   0.0000  224.729   3.2519  ?   ?       ?      ? 
1 1 1    1   43   -7 o   99.206   4.5254  2872.97  259.287  2872.97  259.287   0.0000   0.0000   99.206   4.5254  ?   ?       ?      ? 
1 1 1    1   44   -7 o   63.348   5.9289  1186.33  216.914  1186.33  216.914   0.0000   0.0000   63.348   5.9289  ?   ?       ?      ? 
1 1 1    1   45   -7 o  156.171   2.0791  7069.31  187.524  7069.31  187.524   0.0000   0.0000  156.171   2.0791  ?   ?       ?      ? 
1 1 1    1   46   -7 o   57.973   4.3321  990.949  145.046  990.949  145.046   0.0000   0.0000   57.973   4.3321  ?   ?       ?      ? 
1 1 1    1   47   -7 o   47.521   6.5870  692.598  180.782  692.598  180.782   0.0000   0.0000   47.521   6.5870  ?   ?       ?      ? 
1 1 1    1   48   -7 o   52.080   5.9998  921.760  167.701  1165.80  229.382  641.548  245.797   61.346   6.4742   42.814   10.103 18.53148 11.99965 
1 1 1    1   49   -7 o   41.722   5.3574  580.276  119.127  518.772  198.250  615.033  149.034   38.750   9.0262   44.693   5.7737 -5.942963 10.71489 
1 1 1    1   50   -7 o   39.460   7.1458  510.647  156.855   0.0000   0.0000  510.647  156.855  ?   ?    39.460   7.1458      ?      ? 
1 1 1    1   51   -7 o   77.731   3.6246  1802.62  162.720   0.0000   0.0000  1802.62  162.720  ?   ?    77.731   3.6246      ?      ? 
1 1 1    1   52   -7 o   35.345   7.7693  436.247  154.273   0.0000   0.0000  436.247  154.273  ?   ?    35.345   7.7693      ?      ? 
1 1 1    1    0   -8 o   83.197   1.3748  1999.78   65.745  2029.98   97.445  1974.56   89.073   83.768   2.0168   82.625   1.8687 -0.000000 0.000000 
1 1 1    1    1   -8 o  350.311   1.2710 35456.82  254.936 35564.26  339.286 35317.51  386.349  350.923   1.6741  349.699   1.9129 1.223907 2.542002 
1 1 1    1    2   -8 o  200.263   0.7918 11583.89   91.553 11490.62  130.915 11673.17  128.081  199.474   1.1364  201.052   1.1030 -1.578491 1.583676 
1 1 1    1    3   -8 o  437.436   1.6636 55271.54  420.043 55093.64  604.036 55438.10  584.507  436.754   2.3946  438.119   2.3100 -1.365753 3.327223 
1 1 1    1    4   -8 o  229.945   1.3931 15276.25  145.515 15261.24  332.680 15279.80  161.815  229.867   2.5059  230.023   1.2180 -0.1561584 2.786251 
1 1 1    1    5   -8 o  648.049   2.0757 121280.80  776.540 122112.30  1116.75 120502.40  1080.53  650.196   2.9739  645.901   2.8966 4.295837 4.151421 
1 1 1    1    6   -8 o   94.821   0.9844  2596.32   53.902  2535.15   75.889  2658.60   76.574   93.694   1.4024   95.948   1.3818 -2.254158 1.968835 
1 1 1    1    7   -8 f  175.406   0.9608  8862.29   95.503  8768.66  123.334  9002.52  150.929  174.253   1.2255  176.559   1.4801 -2.306595 1.921624 
1 1 1    1    8   -8 o  308.185   1.0694 27433.05  190.174 27322.43  274.418 27535.26  263.790  307.587   1.5448  308.783   1.4792 -1.196472 2.138745 
1 1 1    1    9   -8 o  487.086   1.9443 68585.51  503.825 68371.98  910.981 68679.60  604.728  486.520   3.2421  487.652   2.1472 -1.131378 3.888621 
1 1 1    1   10   -8 o  198.073   1.0313 11367.32  115.380 11148.28  182.507 11513.15  148.914  196.477   1.6084  199.669   1.2913 -3.191544 2.062608 
1 1 1    1   11   -8 o  256.294   1.3509 18969.66  199.959 19093.13  283.394 18847.25  282.180  257.124   1.9084  255.463   1.9125 1.661041 2.701798 
1 1 1    1   12   -8 o  192.359   1.3480 10671.98  138.786 10722.85  248.708 10648.97  167.247  192.688   2.2349  192.029   1.5080 0.6596680 2.696056 
1 1 1    1   13   -8 o  304.789   1.3647 26841.46  235.739 26756.13  370.696 26899.40  305.463  304.380   2.1087  305.198   1.7330 -0.8178711 2.729437 
1 1 1    1   14   -8 o  572.437   2.5465 94691.99  841.376 93084.53  1204.93 96221.60  1175.39  567.692   3.6751  577.183   3.5260 -9.491882 5.093012 
1 1 1    1   15   -8 o  886.141   4.3692 226371.91  1975.51 225781.00  2304.05 228012.30  3838.61  884.088   4.5124  888.193   7.4831 -4.105408 8.738356 
1 1 1    1   16   -8 o  302.007   1.3448 26309.10  229.174 26484.06  365.960 26196.22  293.948  302.831   2.0924  301.184   1.6899 1.646545 2.689584 
1 1 1    1   17   -8 o  467.588   1.9321 63092.48  511.379 63404.88  808.823 62884.43  660.045  468.546   2.9889  466.630   2.4492 1.915894 3.864201 
1 1 1    1   18   -8 o  214.303   1.7113 13263.41  211.807 13268.13  300.617 13258.75  298.476  214.341   2.4284  214.265   2.4120 0.7563782E-01 3.422692 
1 1 1    1   19   -8 o  551.592   2.5308 87920.73  804.819 88576.91  1108.12 87188.16  1170.83  553.775   3.4647  549.408   3.6899 4.366699 5.061594 
1 1 1    1   20   -8 o  596.927   2.6853 102944.50  925.282 103493.70  1289.92 102362.50  1328.01  598.571   3.7313  595.284   3.8627 3.286438 5.370578 
1 1 1    1   21   -8 o  272.391   2.0572 21430.34  323.638 21411.23  458.039 21449.39  457.348  272.270   2.9128  272.512   2.9059 -0.2427063 4.114456 
1 1 1    1   22   -8 o  532.607   3.7667 81947.92  1158.66   0.0000   0.0000 81947.92  1158.66  ?   ?   532.607   3.7667      ?      ? 
1 1 1    1   23   -8 o  518.499   3.3904 77669.15  1014.81 77007.01  1411.34 78377.95  1460.21  516.216   4.7339  520.781   4.8548 -4.565125 6.780770 
1 1 1    1   24   -8 o  334.042   2.0177 32270.63  368.463 32113.16  632.289 32351.60  453.407  333.407   3.2836  334.676   2.3457 -1.269073 4.035436 
1 1 1    1   25   -8 o  215.653   1.8141 13435.31  225.913 13265.19  320.489 13603.32  318.499  214.295   2.5895  217.010   2.5412 -2.715210 3.628121 
1 1 1    1   26   -8 o  185.039   1.8519  9889.27  197.905  9889.27  197.905   0.0000   0.0000  185.039   1.8519  ?   ?       ?      ? 
1 1 1    1   27   -8 o  149.493   1.7509  6453.21  137.147  6449.21  162.705  6463.02  254.901  149.426   1.8853  149.560   2.9510 -0.1345215 3.501854 
1 1 1    1   28   -8 o  188.938   1.8837 10306.78  205.469 10038.50  285.823 10593.68  295.575  186.396   2.6551  191.480   2.6728 -5.084198 3.767363 
1 1 1    1   29   -8 o  200.413   1.9250 11597.65  222.722 11286.57  309.568 11931.46  320.679  197.630   2.7122  203.197   2.7326 -5.566620 3.850030 
1 1 1    1   30   -8 f  195.520   1.8828 11043.87  212.463 11152.22  306.854 10944.08  294.465  196.438   2.7047  194.601   2.6200 1.836807 3.765624 
1 1 1    1   31   -8 o  173.111   1.6961  8695.51  159.026  8762.68  194.151  8558.58  277.208  174.154   1.9303  172.068   2.7895 2.086075 3.392206 
1 1 1    1   32   -8 o   33.178   6.1501  332.742  121.667  423.203  171.868  241.872  172.258   37.377   8.1882   28.979   9.1786 8.397959 12.30013 
1 1 1    1   33   -8 o  124.354   2.1810  4469.19  156.641   0.0000   0.0000  4469.19  156.641  ?   ?   124.354   2.1810      ?      ? 
1 1 1    1   34   -8 o   87.415   2.3603  2203.63  114.467  2184.27  142.907  2238.28  191.199   86.905   2.8472   87.924   3.7653 -1.018112 4.720573 
1 1 1    1   35   -8 o  152.802   1.7707  6795.16  149.765  6592.44  248.570  6910.70  187.648  150.974   2.8508  154.631   2.1012 -3.657242 3.541446 
1 1 1    1   36   -8 o  270.151   2.2543 21140.99  351.250 20575.21  505.798 21667.98  488.156  266.639   3.2845  273.663   3.0886 -7.023407 4.508566 
1 1 1    1   37   -8 o  135.406   2.2252  5306.90  173.859  5332.23  241.139  5279.48  250.897  135.749   3.0757  135.064   3.2164 0.6858978 4.450315 
1 1 1    1   38   -8 o  256.520   2.2737 19020.93  335.271 19321.35  500.738 18776.81  451.383  258.325   3.3563  254.714   3.0684 3.611038 4.547477 
1 1 1    1   39   -8 o  215.917   2.1277 13427.05  264.468 14325.30  393.885 12689.67  356.875  222.449   3.0659  209.385   2.9511 13.06500 4.255421 
1 1 1    1   40   -8 o  146.700   2.4346  6158.05  203.625  6717.88  319.464  5774.96  264.264  152.214   3.6340  141.186   3.2409 11.02719 4.869195 
1 1 1    1   41   -8 o  200.555   2.1804 11662.00  252.247 11518.70  364.529 11793.67  349.414  199.353   3.1661  201.757   2.9987 -2.403763 4.360748 
1 1 1    1   42   -8 o   92.741   4.5673  2507.12  244.635   0.0000   0.0000  2507.12  244.635  ?   ?    92.741   4.5673      ?      ? 
1 1 1    1   43   -8 o   86.535   3.3703  2176.40  168.439   0.0000   0.0000  2176.40  168.439  ?   ?    86.535   3.3703      ?      ? 
1 1 1    1   44   -8 o   45.846   5.2513  619.092  139.044   0.0000   0.0000  619.092  139.044  ?   ?    45.846   5.2513      ?      ? 
1 1 1    1   45   -8 o   73.598   3.3873  1580.88  143.981   0.0000   0.0000  1580.88  143.981  ?   ?    73.598   3.3873      ?      ? 
1 1 1    1   46   -8 o   72.296   3.5814  1532.64  149.538   0.0000   0.0000  1532.64  149.538  ?   ?    72.296   3.5814      ?      ? 
1 1 1    1   47   -8 o   34.041   8.2839  382.224  161.317   0.0000   0.0000  382.224  161.317  ?   ?    34.041   8.2839      ?      ? 
1 1 1    1   48   -8 o   96.575   2.8136  2731.87  156.930   0.0000   0.0000  2731.87  156.930  ?   ?    96.575   2.8136      ?      ? 
1 1 1    1   49   -8 o   12.980   6.3144 -229.9087  150.941   0.0000   0.0000 -229.9087  150.941  ?   ?    12.980   6.3144      ?      ? 
1 1 1    1   50   -8 o   28.569   6.8033  222.743  167.877  538.091  231.365 -127.8847  243.964   38.075   10.281   19.062   8.9134 19.01302 13.60664 
1 1 1    1   51   -8 o   19.106   6.3586 -154.7336  177.038 -253.3274  231.193 -14.9557  275.277   16.536   7.9897   21.676   9.8940 -5.139330 12.71722 
1 1 1    1   52   -8 o   70.980   3.8163  1583.08  153.553  1604.94  241.167  1568.17  199.134   70.821   5.8962   71.139   4.8468 -0.3186264 7.632584 
1 1 1    1    0   -9 o  133.485   1.4466  5155.81  111.277  5015.42  160.738  5285.02  154.205  131.733   2.1139  135.237   1.9753 -0.000000 0.000000 
1 1 1    1    1   -9 o  111.995   0.9428  3629.05   59.440  3591.35   95.144  3653.19   76.125  111.516   1.4773  112.473   1.1719 -0.9573669 1.885644 
1 1 1    1    2   -9 o  653.000   2.4007 123178.70  905.318 123098.10  1289.35 123257.10  1271.47  652.788   3.4199  653.213   3.3703 -0.4248657 4.801500 
1 1 1    1    3   -9 o   76.101   0.9000  1669.72   39.414  1641.51   53.304  1703.75   58.544   75.394   1.2242   76.809   1.3197 -1.415749 1.800066 
1 1 1    1    4   -9 o  173.822   1.0789  8723.88  108.294  8636.83  151.515  8814.79  154.840  172.936   1.5170  174.708   1.5346 -1.772415 2.157819 
1 1 1    1    5   -9 o  240.118   1.1569 16633.70  155.865 16723.67  252.689 16578.45  198.025  240.640   1.8182  239.597   1.4310 1.042694 2.313787 
1 1 1    1    6   -9 o  302.824   1.6834 26607.63  255.923 26237.73  507.201 26733.98  296.425  301.393   2.9138  304.254   1.6869 -2.860870 3.366890 
1 1 1    1    7   -9 f  137.089   1.1821  5453.31   72.751  5386.37  168.410  5468.67   80.666  136.566   2.1352  137.612   1.0150 -1.045868 2.364158 
1 1 1    1    8   -9 o  213.190   1.5022 13138.89  174.682 13087.53  301.221 13164.91  214.418  212.872   2.4501  213.508   1.7388 -0.6364594 3.004421 
1 1 1    1    9   -9 o  227.441   1.4165 15006.40  159.099 14810.21  323.182 15069.16  182.781  226.450   2.4711  228.432   1.3854 -1.982376 2.832980 
1 1 1    1   10   -9 o  729.957   2.5907 153954.70  1091.72 152284.50  1561.78 155550.59  1526.67  726.081   3.7243  733.833   3.6022 -7.752014 5.181347 
1 1 1    1   11   -9 o  253.807   1.5117 18615.13  175.397 18622.38  195.443 18585.13  397.593  253.941   1.3326  253.673   2.7138 0.2681580 3.023348 
1 1 1    1   12   -9 o  539.205   2.0956 84169.98  608.590 83419.81  1074.24 84524.56  738.545  537.416   3.4610  540.994   2.3637 -3.577637 4.191177 
1 1 1    1   13   -9 o  283.553   1.0837 23241.92  175.506 23375.50  231.920 23062.90  268.478  284.509   1.4114  282.598   1.6450 1.910400 2.167487 
1 1 1    1   14   -9 o  590.325   2.0023 100627.80  677.203 100506.60  902.210 100784.00  1024.90  589.923   2.6481  590.727   3.0041 -0.8040771 4.004571 
1 1 1    1   15   -9 o  179.737   1.1462  9329.97  118.930  9355.01  165.944  9303.52  170.537  179.985   1.5964  179.489   1.6451 0.4962006 2.292349 
1 1 1    1   16   -9 o  249.180   1.3142 17931.05  189.130 18110.39  267.845 17752.70  267.098  250.423   1.8519  247.938   1.8653 2.485413 2.628477 
1 1 1    1   17   -9 o  432.390   1.7826 54029.04  438.600 54195.34  573.667 53795.05  680.466  433.196   2.2929  431.585   2.7300 1.610870 3.565132 
1 1 1    1   18   -9 o  324.067   1.9369 30305.47  341.337 30255.64  417.337 30406.15  593.250  323.672   2.2325  324.461   3.1658 -0.7890015 3.873850 
1 1 1    1   19   -9 o  421.282   2.4754 51219.66  573.691 51408.61  973.665 51119.17  710.030  421.861   3.9963  420.704   2.9222 1.157227 4.950720 
1 1 1    1   20   -9 o  382.194   2.5510 42189.71  562.501 42097.85  777.466 42290.63  814.841  381.760   3.5262  382.628   3.6873 -0.8679810 5.102000 
1 1 1    1   21   -9 o  932.523   4.2135 251478.30  2266.02 253917.70  3130.67 248793.80  3284.10  937.301   5.7833  927.745   6.1292 9.555420 8.426924 
1 1 1    1   22   -9 o  541.283   3.1085 84633.30  928.354 84732.84  1564.59 84579.21  1153.32  541.482   5.0030  541.084   3.6906 0.3977661 6.216969 
1 1 1    1   23   -9 o  224.565   1.8911 14564.45  245.264 14564.45  245.264   0.0000   0.0000  224.565   1.8911  ?   ?       ?      ? 
1 1 1    1   24   -9 o   60.486   3.8771  1055.69  135.262  1017.56  185.594  1098.90  197.545   59.324   5.4168   61.648   5.5483 -2.323627 7.754112 
1 1 1    1   25   -9 o  200.917   1.8076 11659.57  209.743 11527.51  294.796 11794.95  298.481  199.764   2.5552  202.068   2.5576 -2.303955 3.615268 
1 1 1    1   26   -9 o  234.238   1.9501 15846.20  263.763 16140.33  377.341 15565.17  368.838  236.362   2.7642  232.113   2.7514 4.249100 3.900118 
1 1 1    1   27   -9 o  171.644   1.8512  8509.80  183.512   0.0000   0.0000  8509.80  183.512  ?   ?   171.644   1.8512      ?      ? 
1 1 1    1   28   -9 o   57.633   3.2430  932.452  102.910  872.390  125.833  1053.76  178.829   54.927   3.9667   60.339   5.1316 -5.412678 6.485967 
1 1 1    1   29   -9 o  105.486   2.4624  3182.06  146.454  3062.72  186.214  3375.59  237.130  102.934   3.1323  108.038   3.8004 -5.104111 4.924876 
1 1 1    1   30   -9 o  191.517   1.9039 10596.46  210.584   0.0000   0.0000 10596.46  210.584  ?   ?   191.517   1.9039      ?      ? 
1 1 1    1   31   -9 o  223.081   1.7272 14337.07  209.032 14250.02  254.713 14516.63  365.812  222.080   1.9859  224.083   2.8266 -2.003693 3.454478 
1 1 1    1   32   -9 o   79.814   2.5873  1847.22  113.715  1831.37  191.952  1855.79  141.150   79.523   4.1794   80.105   3.0510 -0.5814133 5.174509 
1 1 1    1   33   -9 o  169.391   1.8258  8197.03  164.739  8550.22  300.447  8045.19  196.992  171.931   3.0257  166.851   2.0443 5.080643 3.651563 
1 1 1    1   34   -9 o   41.928   6.2983  566.972  152.734  271.753  229.569  801.421  204.581   31.403   10.633   52.453   6.7532 -21.05017 12.59668 
1 1 1    1   35   -9 o  126.970   2.4864  4656.00  181.555  4779.40  271.019  4555.54  244.535  128.481   3.6524  125.460   3.3748 3.020958 4.972851 
1 1 1    1   36   -9 o  152.515   2.2952  6696.16  201.552  7186.64  299.761  6291.45  272.291  157.580   3.2937  147.449   3.1975 10.13116 4.590471 
1 1 1    1   37   -9 o  285.468   2.3695 23580.93  389.951 23754.47  569.941 23428.18  534.693  286.435   3.4452  284.501   3.2541 1.933899 4.739094 
1 1 1    1   38   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   39   -9 o  101.442   4.5521  2988.88  266.695   0.0000   0.0000  2988.88  266.695  ?   ?   101.442   4.5521      ?      ? 
1 1 1    1   40   -9 o  190.386   3.1977 10502.28  351.613   0.0000   0.0000 10502.28  351.613  ?   ?   190.386   3.1977      ?      ? 
1 1 1    1   41   -9 o  284.722   3.2800 23509.15  539.370   0.0000   0.0000 23509.15  539.370  ?   ?   284.722   3.2800      ?      ? 
1 1 1    1   42   -9 o  140.055   3.5122  5698.50  284.097   0.0000   0.0000  5698.50  284.097  ?   ?   140.055   3.5122      ?      ? 
1 1 1    1   43   -9 o   50.329   5.0749  743.085  147.514   0.0000   0.0000  743.085  147.514  ?   ?    50.329   5.0749      ?      ? 
1 1 1    1   44   -9 o   58.512   4.5843  1011.26  154.153  909.846  206.378  1139.25  231.850   55.230   6.4699   61.794   6.4964 -6.563660 9.168638 
1 1 1    1   45   -9 o   98.365   2.9727  2793.20  163.196  3039.47  272.603  2655.64  203.738  101.491   4.6507   95.240   3.7040 6.251305 5.945469 
1 1 1    1   46   -9 o   38.410   6.2454  530.899  146.087  223.605  234.123  726.825  186.945   28.030   10.583   48.791   6.6343 -20.76096 12.49085 
1 1 1    1   47   -9 o   23.743   8.5881  165.677  151.299   0.0000   0.0000  165.677  151.299  ?   ?    23.743   8.5881      ?      ? 
1 1 1    1   48   -9 o   67.744   4.1390  1368.06  161.941   0.0000   0.0000  1368.06  161.941  ?   ?    67.744   4.1390      ?      ? 
1 1 1    1   49   -9 o   92.291   2.0877  2510.80  110.840  2586.86  151.662  2423.59  162.391   93.880   2.7972   90.702   3.1000 3.178040 4.175418 
1 1 1    1   50   -9 o   82.053   2.4127  1994.89  114.225  2061.11  166.030  1935.38  157.393   83.319   3.4503   80.787   3.3734 2.532471 4.825362 
1 1 1    1   51   -9 o   20.484   5.8268  103.866  106.932   62.148  155.847  140.978  146.991   19.239   8.1372   21.730   8.3421 -2.490992 11.65354 
1 1 1    1    0  -10 f   39.611   2.4924  458.497   56.501  458.497   56.501   0.0000   0.0000   39.611   2.4924   39.611   2.4924 -0.000000 0.000000 
1 1 1    1    1  -10 o  741.180   2.4982 158568.80  1056.80 159496.30  1626.16 157890.80  1390.45  743.035   3.7894  739.325   3.2564 3.709839 4.996346 
1 1 1    1    2  -10 o  136.630   1.2831  5401.30   97.003  5356.01  162.066  5426.58  121.088  136.181   2.0606  137.079   1.5295 -0.8977966 2.566185 
1 1 1    1    3  -10 o  266.362   1.3547 20490.43  208.394 20440.73  295.409 20539.66  294.022  266.041   1.9226  266.684   1.9090 -0.6432190 2.709346 
1 1 1    1    4  -10 o   71.649   1.1080  1487.04   45.106  1456.72   70.034  1508.54   58.965   71.022   1.7074   72.275   1.4126 -1.252914 2.215975 
1 1 1    1    5  -10 o  178.249   0.8341  9171.31   84.926  9203.30  130.190  9147.62  112.049  178.519   1.2627  177.979   1.0901 0.5398712 1.668145 
1 1 1    1    6  -10 o  150.670   1.2015  6631.60   84.299  6684.75   94.692  6428.56  185.076  152.145   1.0776  149.195   2.1479 2.950302 2.403052 
1 1 1    1    7  -10 o  292.952   1.2778 24685.85  200.716 25049.78  359.387 24520.87  241.970  294.511   2.1129  291.393   1.4378 3.117615 2.555687 
1 1 1    1    8  -10 o  246.772   1.1891 17542.31  166.923 17337.10  217.384 17837.16  260.572  245.019   1.5362  248.525   1.8154 -3.505905 2.378141 
1 1 1    1    9  -10 o  405.025   1.7226 47353.25  396.341 47244.31  515.597 47510.60  619.663  404.460   2.2072  405.589   2.6454 -1.129425 3.445258 
1 1 1    1   10  -10 o  113.973   0.8667  3749.58   57.024  3702.01   79.222  3800.73   82.147  113.223   1.2115  114.723   1.2398 -1.499481 1.733459 
1 1 1    1   11  -10 o  659.839   2.0950 125776.00  797.570 125083.20  1152.56 126412.50  1104.82  658.093   3.0324  661.585   2.8915 -3.492310 4.190030 
1 1 1    1   12  -10 o  584.652   1.8572 98737.11  626.526 98280.31  904.625 99158.22  868.558  583.351   2.6851  585.954   2.5666 -2.602661 3.714395 
1 1 1    1   13  -10 o  178.939   1.3378  9232.36  129.925  9288.99  226.851  9204.71  158.495  179.345   2.1901  178.533   1.5371 0.8119965 2.675693 
1 1 1    1   14  -10 o  304.166   1.2294 26718.23  215.956 26823.52  304.735 26612.00  306.087  304.768   1.7313  303.564   1.7459 1.204132 2.458727 
1 1 1    1   15  -10 o  434.667   1.4004 54562.79  351.566 54654.80  497.145 54470.73  497.235  435.034   1.9787  434.300   1.9824 0.7332458 2.800889 
1 1 1    1   16  -10 o  160.215   1.0617  7416.51   96.467  7392.61  151.363  7432.86  125.185  159.997   1.6380  160.433   1.3511 -0.4360962 2.123322 
1 1 1    1   17  -10 o  499.308   1.8188 72010.70  524.334 71614.32  749.379 72390.88  733.905  497.961   2.6057  500.655   2.5381 -2.694122 3.637543 
1 1 1    1   18  -10 o  316.039   1.9999 28875.93  347.263 28754.51  589.827 28940.35  429.615  315.522   3.2368  316.556   2.3499 -1.033783 3.999810 
1 1 1    1   19  -10 o  194.240   1.6519 10893.63  184.624 10929.41  273.384 10863.63  250.331  194.532   2.4333  193.948   2.2348 0.5842590 3.303848 
1 1 1    1   20  -10 o  158.483   1.3090  7249.34  119.716  7356.67  173.324  7151.43  165.551  159.604   1.8803  157.362   1.8216 2.241669 2.617957 
1 1 1    1   21  -10 o  226.925   1.3774 14872.63  180.492 15246.13  255.813 14502.37  254.701  229.762   1.9278  224.087   1.9680 5.674927 2.754889 
1 1 1    1   22  -10 o  115.514   1.6840  3869.73  110.146  3936.81  143.032  3771.97  172.658  116.751   2.1212  114.276   2.6160 2.475029 3.367982 
1 1 1    1   23  -10 f  447.254   3.1867 57788.46  823.153   0.0000   0.0000 57788.46  823.153  ?   ?   447.254   3.1867      ?      ? 
1 1 1    1   24  -10 o  352.845   2.1441 36005.94  407.627 36073.96  494.555 35861.84  719.864  353.393   2.4231  352.297   3.5380 1.096252 4.288207 
1 1 1    1   25  -10 o  250.441   2.0819 18116.41  301.127   0.0000   0.0000 18116.41  301.127  ?   ?   250.441   2.0819      ?      ? 
1 1 1    1   26  -10 f  238.651   1.9850 16411.25  273.170 17248.89  400.277 15681.03  373.730  244.335   2.8366  232.968   2.7776 11.36647 3.970054 
1 1 1    1   27  -10 o   65.488   2.5500  1242.71   96.084  1367.69  135.970  1118.05  135.798   68.788   3.4225   62.188   3.7810 6.600067 5.099935 
1 1 1    1   28  -10 o   95.778   2.7934  2651.03  154.521  2651.03  154.521   0.0000   0.0000   95.778   2.7934  ?   ?       ?      ? 
1 1 1    1   29  -10 o  173.201   2.1560  8677.38  215.426  9168.00  305.077  8189.44  304.242  178.092   2.9661  168.310   3.1298 9.782043 4.312013 
1 1 1    1   30  -10 o   37.084   6.3294  375.615  133.495  616.502  224.426  243.714  166.069   45.201   8.9136   28.967   8.9885 16.23429 12.65883 
1 1 1    1   31  -10 o   82.404   3.0938  1964.42  146.538  2237.07  211.673  1713.48  203.066   87.900   4.1696   76.908   4.5717 10.99178 6.187594 
1 1 1    1   32  -10 o  272.777   2.2291 21481.88  350.084 22026.19  518.632 21026.27  474.495  275.929   3.2544  269.624   3.0471 6.305725 4.458277 
1 1 1    1   33  -10 o   91.747   4.1435  2438.49  219.555   0.0000   0.0000  2438.49  219.555  ?   ?    91.747   4.1435      ?      ? 
1 1 1    1   34  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   35  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   36  -10 o  190.150   2.1394 10462.37  233.782 10472.20  315.374 10450.38  348.308  190.267   2.8700  190.032   3.1736 0.2350311 4.278837 
1 1 1    1   37  -10 o  209.324   2.0940 12701.33  252.621 13126.22  349.901 12238.72  365.104  213.004   2.8443  205.645   3.0741 7.359131 4.188060 
1 1 1    1   38  -10 o  327.749   2.4467 31128.10  462.611 31389.64  640.730 30843.28  668.622  329.214   3.3699  326.284   3.5481 2.929657 4.893385 
1 1 1    1   39  -10 o  156.043   2.4571  7044.14  221.443  7044.14  221.443   0.0000   0.0000  156.043   2.4571  ?   ?       ?      ? 
1 1 1    1   40  -10 o   92.265   3.4261  2478.38  180.852  2480.35  275.257  2476.88  239.900   92.246   5.1666   92.285   4.5011 -0.3923035E-01 6.852271 
1 1 1    1   41  -10 f  102.462   3.2268  3055.89  190.661  3297.55  273.870  2828.61  265.591  106.410   4.4563   98.513   4.6680 7.896492 6.453633 
1 1 1    1   42  -10 o   74.816   3.7983  1724.40  149.328  1425.88  260.784  1870.03  182.145   69.491   6.4978   80.142   3.9353 -10.65099 7.596553 
1 1 1    1   43  -10 o   36.210   7.6340  412.654  173.790  506.763  250.473  325.285  241.335   39.687   10.689   32.732   10.902 6.954399 15.26799 
1 1 1    1   44  -10 o   65.354   3.9566  1258.62  137.189  1287.05  249.963  1246.36  164.116   65.543   6.6034   65.166   4.3606 0.3767242 7.913220 
1 1 1    1   45  -10 o   10.936   5.4801 -406.1781  148.179   0.0000   0.0000 -406.1781  148.179  ?   ?    10.936   5.4801      ?      ? 
1 1 1    1   46  -10 o   19.150   6.1578 -79.4983  148.987 -179.2176  240.236 -17.1752  189.921   18.789   8.8045   19.512   8.6113 -0.7225895 12.31561 
1 1 1    1   47  -10 o   40.585   6.1065  481.738  115.105  667.002  266.857  439.391  127.583   43.248   10.734   37.923   5.8252 5.325619 12.21291 
1 1 1    1   48  -10 o   39.236   6.7261  522.524  148.960  652.262  237.105  437.928  191.462   43.051   9.7610   35.420   9.2565 7.631004 13.45215 
1 1 1    1   49  -10 o   33.072   6.7775  377.707  129.848  438.143  233.248  350.566  156.309   34.243   10.657   31.900   8.3767 2.342386 13.55507 
1 1 1    1   50  -10 o   13.963   6.7231 -192.3246  160.361   0.0000   0.0000 -192.3246  160.361  ?   ?    13.963   6.7231      ?      ? 
1 1 1    1   51  -10 o   40.861   6.6680  544.149  157.359   0.0000   0.0000  544.149  157.359  ?   ?    40.861   6.6680      ?      ? 
1 1 1    1    0  -11 o  363.244   2.1270 38182.26  419.499 37915.38  729.170 38314.29  512.876  362.274   3.4858  364.215   2.4384 -0.000000 0.000000 
1 1 1    1    1  -11 o   57.991   1.4568  960.515   48.390  1052.91   74.432  892.877   63.684   60.380   2.1344   55.603   1.9831 4.777203 2.913518 
1 1 1    1    2  -11 o  473.766   1.6473 64843.99  445.654 64694.67  683.131 64954.63  588.010  473.286   2.4992  474.245   2.1468 -0.9594116 3.294646 
1 1 1    1    3  -11 o  136.395   1.0443  5371.33   82.234  5414.43  118.084  5330.74  114.587  136.926   1.4932  135.864   1.4603 1.062149 2.088583 
1 1 1    1    4  -11 o  270.499   1.2723 21145.70  194.205 21061.52  309.251 21200.51  249.549  270.052   1.9828  270.946   1.5947 -0.8940430 2.544536 
1 1 1    1    5  -11 o  344.313   2.0731 34237.00  394.536 34227.48  491.228 34254.30  662.242  344.255   2.4707  344.371   3.3297 -0.1156311 4.146227 
1 1 1    1    6  -11 f  188.405   1.0307 10242.00  109.709 10293.26  174.494 10208.48  141.082  188.794   1.6003  188.016   1.2992 0.7773132 2.061328 
1 1 1    1    7  -11 o   76.744   1.1325  1716.27   45.476  1737.81   54.081  1664.27   84.025   77.574   1.2071   75.913   1.9165 1.660812 2.264939 
1 1 1    1    8  -11 o  179.769   1.0265  9346.29  103.694  9272.79  166.907  9392.50  132.330  179.191   1.6128  180.346   1.2705 -1.154587 2.053079 
1 1 1    1    9  -11 o  293.871   1.2889 24909.09  203.480 25023.88  362.144 24856.13  245.980  294.362   2.1302  293.380   1.4517 0.9820862 2.577810 
1 1 1    1   10  -11 o  296.772   1.3046 25553.58  208.603 25102.99  367.134 25768.41  253.499  294.828   2.1561  298.716   1.4694 -3.888214 2.609192 
1 1 1    1   11  -11 o  123.165   1.0296  4369.15   71.166  4332.33   90.337  4429.36  115.539  122.483   1.2770  123.846   1.6153 -1.363007 2.059152 
1 1 1    1   12  -11 o  1103.17   3.4423 351731.41  2190.88 347642.81  3161.81 355507.69  3038.61  1096.99   4.9905  1109.35   4.7426 -12.36060 6.884621 
1 1 1    1   13  -11 o  283.477   1.0926 23235.85  175.950 23041.48  274.211 23371.88  229.404  282.467   1.6809  284.487   1.3962 -2.019989 2.185109 
1 1 1    1   14  -11 o  258.828   1.4194 19353.92  211.601 19246.40  310.486 19447.16  289.151  258.156   2.0825  259.500   1.9293 -1.344238 2.838808 
1 1 1    1   15  -11 o  200.619   1.0406 11599.91  118.431 11501.75  153.388 11744.80  186.357  199.571   1.3308  201.667   1.6000 -2.096222 2.081122 
1 1 1    1   16  -11 o  180.749   1.3542  9480.82  110.179  9508.39  122.265  9361.68  254.153  181.456   1.1667  180.043   2.4442 1.412949 2.708355 
1 1 1    1   17  -11 o  173.457   1.1602  8687.55  116.216  8591.03  163.066  8787.19  165.674  172.478   1.6370  174.436   1.6445 -1.957977 2.320370 
1 1 1    1   18  -11 o  264.388   2.1051 20187.49  321.447   0.0000   0.0000 20187.49  321.447  ?   ?   264.388   2.1051      ?      ? 
1 1 1    1   19  -11 o  221.698   1.6781 14256.92  200.939 14371.37  244.703 14019.99  352.086  223.075   1.8993  220.320   2.7670 2.755188 3.356156 
1 1 1    1   20  -11 o  470.808   2.8011 64021.31  725.472 64093.00  1230.60 63983.13  898.141  470.978   4.5241  470.638   3.3042 0.3394470 5.602271 
1 1 1    1   21  -11 o  250.296   1.7848 18149.64  244.419 17922.98  417.901 18267.49  301.334  249.096   2.9048  251.496   2.0746 -2.399826 3.569591 
1 1 1    1   22  -11 o  285.307   1.8478 23525.39  279.865 23545.47  335.310 23479.26  508.119  285.523   2.0334  285.092   3.0860 0.4315186 3.695681 
1 1 1    1   23  -11 o  399.375   2.7922 46094.50  644.000 46729.96  910.638 45458.73  910.868  402.131   3.9210  396.619   3.9765 5.511414 5.584458 
1 1 1    1   24  -11 o  417.573   2.5533 50301.97  576.794 50143.02  701.483 50633.76  1013.47  416.608   2.9154  418.539   4.1927 -1.930878 5.106694 
1 1 1    1   25  -11 o   61.127   4.3650  1080.31  154.101   0.0000   0.0000  1080.31  154.101  ?   ?    61.127   4.3650      ?      ? 
1 1 1    1   26  -11 o  132.788   2.1931  5133.45  166.900  5540.07  228.623  4669.48  244.212  138.467   2.8588  127.108   3.3266 11.35837 4.386293 
1 1 1    1   27  -11 o  394.056   2.7551 44875.61  626.826 46293.15  898.565 43531.92  874.843  400.115   3.8885  387.997   3.9041 12.11835 5.510163 
1 1 1    1   28  -11 o   38.378   4.7483  534.211  141.687 -395.2750  237.278  1049.31  176.637   16.559   8.0232   60.198   5.0806 -43.63885 9.496568 
1 1 1    1   29  -11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   30  -11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   31  -11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   32  -11 o  122.891   2.6380  4359.17  186.904  4026.16  257.143  4732.16  272.137  117.926   3.7755  127.856   3.6854 -9.929680 5.276045 
1 1 1    1   33  -11 o  126.344   2.4985  4621.90  182.117  4592.29  263.274  4649.07  252.188  125.949   3.6193  126.740   3.4453 -0.7910156 4.996967 
1 1 1    1   34  -11 f   57.550   5.2938  967.842  175.397  978.761  239.527  955.218  257.550   57.927   7.1596   57.173   7.7999 0.7542763 10.58764 
1 1 1    1   35  -11 o  266.738   2.2490 20590.14  346.415 20706.89  486.701 20470.26  493.171  267.509   3.1502  265.966   3.2106 1.543365 4.497970 
1 1 1    1   36  -11 o   58.799   5.2737  1019.33  177.481  897.343  257.149  1130.31  245.264   55.352   8.0439   62.246   6.8224 -6.893646 10.54746 
1 1 1    1   37  -11 o  114.041   2.6522  3694.05  162.004  3575.70  194.029  3966.49  294.378  111.153   3.0225  116.930   4.3591 -5.776794 5.304413 
1 1 1    1   38  -11 o  260.645   1.9717 19623.04  281.859 19777.87  481.876 19542.53  347.507  261.338   3.1926  259.951   2.3147 1.386627 3.943409 
1 1 1    1   39  -11 o  197.418   2.2059 11248.32  248.665 11559.75  383.812 11023.02  326.444  199.722   3.3274  195.114   2.8969 4.608154 4.411774 
1 1 1    1   40  -11 o   67.003   4.7235  1307.50  182.786   0.0000   0.0000  1307.50  182.786  ?   ?    67.003   4.7235      ?      ? 
1 1 1    1   41  -11 f   67.758   3.2984  1344.74  128.521  1256.69  186.430  1424.47  177.417   65.597   4.9209   69.919   4.3936 -4.321396 6.596876 
1 1 1    1   42  -11 o  102.770   3.1757  3068.02  188.493  3068.02  188.493   0.0000   0.0000  102.770   3.1757  ?   ?       ?      ? 
1 1 1    1   43  -11 o   58.464   5.1238  1018.76  171.974  1087.51  260.673  965.773  228.841   60.118   7.5077   56.810   6.9746 3.307449 10.24751 
1 1 1    1   44  -11 o   24.852   6.7902  146.070  138.818   11.337  252.679  204.316  166.136   23.371   10.131   26.332   9.0443 -2.961576 13.58039 
1 1 1    1   45  -11 o  137.825   2.4120  5524.49  191.997   0.0000   0.0000  5524.49  191.997  ?   ?   137.825   2.4120      ?      ? 
1 1 1    1   46  -11 o   40.303   6.6084  508.591  144.215  695.736  253.969  419.529  175.202   45.091   10.013   35.516   8.6270 9.574677 13.21690 
1 1 1    1   47  -11 o   51.631   5.5867  807.716  157.440  1016.85  282.430  713.427  189.638   55.565   8.8008   47.697   6.8842 7.868561 11.17346 
1 1 1    1   48  -11 o   72.108   4.6185  1620.03  191.258  1520.98  254.726  1748.04  289.571   69.784   6.3202   74.431   6.7362 -4.647263 9.236939 
1 1 1    1   49  -11 o   45.449   6.3500  651.128  166.682   0.0000   0.0000  651.128  166.682  ?   ?    45.449   6.3500      ?      ? 
1 1 1    1   50  -11 o   26.125   6.8928  170.488  135.768  424.990  246.424   59.562  162.687   32.739   11.017   19.511   8.2865 13.22786 13.78569 
1 1 1    1   51  -11 o   24.327   6.7989  172.457  157.690 -43.7627  244.486  326.482  206.349   19.782   9.1371   28.872   10.070 -9.090160 13.59771 
1 1 1    1    0  -12 o   85.408   1.5349  2101.83   73.457  2074.11   93.143  2147.44  119.471   84.684   1.9066   86.132   2.4059 -0.000000 0.000000 
1 1 1    1    1  -12 o  582.695   1.8525 98057.78  623.410 98595.69  885.614 97529.43  877.709  584.279   2.6245  581.111   2.6152 3.167664 3.705006 
1 1 1    1    2  -12 o  139.025   0.9998  5602.72   78.916  5463.17  122.679  5701.23  103.073  137.542   1.5444  140.507   1.2702 -2.965744 1.999596 
1 1 1    1    3  -12 o  174.357   1.0757  8778.60  108.312  8840.55  154.061  8718.06  152.308  174.965   1.5246  173.749   1.5178 1.216339 2.151307 
1 1 1    1    4  -12 o   45.628   1.6572  598.438   43.520  569.343   58.660  634.060   64.906   44.400   2.2876   46.856   2.3985 -2.455341 3.314461 
1 1 1    1    5  -12 o  477.227   2.4658 65204.75  537.849 66727.10  1226.97 64842.65  598.406  480.612   4.4203  473.842   2.1866 6.769806 4.931618 
1 1 1    1    6  -12 o  333.864   1.3784 32092.18  250.102 32478.81  436.164 31902.78  305.275  335.353   2.2520  332.374   1.5903 2.979584 2.756886 
1 1 1    1    7  -12 o  863.339   2.7274 215319.50  1358.77 214621.59  1960.77 215964.09  1884.68  861.989   3.9386  864.690   3.7739 -2.701111 5.454799 
1 1 1    1    8  -12 o  145.243   1.0882  6094.96   91.155  6032.51  132.038  6151.84  126.000  144.531   1.5818  145.954   1.4948 -1.422821 2.176319 
1 1 1    1    9  -12 o  317.319   1.3785 29202.40  233.205 28756.03  418.774 29403.05  280.768  315.550   2.2979  319.088   1.5235 -3.537872 2.757059 
1 1 1    1   10  -12 o  247.929   1.4913 17751.07  213.535   0.0000   0.0000 17751.07  213.535  ?   ?   247.929   1.4913      ?      ? 
1 1 1    1   11  -12 o  377.425   1.5487 41036.70  320.949 40812.05  396.028 41466.60  547.835  375.928   1.8240  378.922   2.5033 -2.993805 3.097368 
1 1 1    1   12  -12 o  179.249   0.8892  9270.40   90.969  9331.34  140.012  9225.88  119.669  179.758   1.3486  178.740   1.1592 1.017990 1.778383 
1 1 1    1   13  -12 o  1141.00   4.3767 376474.31  2751.37 377151.69  3414.42 375220.09  4646.20  1142.57   5.1743  1139.43   7.0604 3.147461 8.753370 
1 1 1    1   14  -12 o  215.179   1.0049 13370.75  124.865 13346.70  174.847 13395.77  178.378  214.982   1.4082  215.376   1.4340 -0.3946686 2.009856 
1 1 1    1   15  -12 o  495.706   1.7336 71007.87  492.827 71320.34  659.764 70613.44  741.258  496.944   2.2988  494.468   2.5956 2.475708 3.467237 
1 1 1    1   16  -12 o  727.600   2.8146 152709.59  1122.73 152239.20  1383.81 153615.70  1920.57  726.000   3.3003  729.201   4.5604 -3.200317 5.629284 
1 1 1    1   17  -12 o  294.661   1.4769 25072.73  251.264 24977.34  350.870 25173.14  359.989  294.086   2.0658  295.236   2.1112 -1.149780 2.953771 
1 1 1    1   18  -12 o  635.121   2.8957 116544.50  1062.07 115441.80  1507.50 117631.20  1496.54  632.135   4.1292  638.106   4.0608 -5.970764 5.791370 
1 1 1    1   19  -12 o  399.348   2.2426 46108.36  488.389 45938.33  842.583 46194.39  599.340  398.774   3.6585  399.922   2.5949 -1.147919 4.485281 
1 1 1    1   20  -12 o  486.592   2.0690 68345.31  564.024 68585.82  917.510 68199.22  715.099  487.263   3.2603  485.921   2.5481 1.342255 4.137937 
1 1 1    1   21  -12 o  221.654   1.2634 14155.94  159.004 14010.42  206.230 14369.23  249.679  220.255   1.6212  223.053   1.9382 -2.797791 2.526813 
1 1 1    1   22  -12 o   83.932   2.6835  2044.47  123.823  2064.97  153.603  2006.43  209.247   84.544   3.1458   83.320   4.3483 1.223785 5.366960 
1 1 1    1   23  -12 o  129.268   2.1383  4883.28  154.352  4601.82  248.916  5059.12  196.745  126.199   3.4152  132.338   2.5742 -6.139465 4.276649 
1 1 1    1   24  -12 o  235.460   2.0488 16014.13  278.613 16014.13  278.613   0.0000   0.0000  235.460   2.0488  ?   ?       ?      ? 
1 1 1    1   25  -12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   26  -12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   27  -12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   28  -12 o  307.425   3.3689 27328.56  598.153   0.0000   0.0000 27328.56  598.153  ?   ?   307.425   3.3689      ?      ? 
1 1 1    1   29  -12 o  142.262   2.4601  5854.29  201.967  5861.07  280.190  5846.95  291.387  142.353   3.4080  142.171   3.5487 0.1811829 4.920175 
1 1 1    1   30  -12 f  391.737   3.9598 44423.54  895.889   0.0000   0.0000 44423.54  895.889  ?   ?   391.737   3.9598      ?      ? 
1 1 1    1   31  -12 o   96.141   3.1121  2682.28  165.831  2663.43  276.021  2692.92  207.444   95.830   4.9872   96.452   3.7240 -0.6212997 6.224132 
1 1 1    1   32  -12 o  202.009   2.0902 11795.36  243.731 12033.71  351.776 11575.30  338.011  203.967   2.9862  200.051   2.9255 3.915909 4.180458 
1 1 1    1   33  -12 o  136.861   1.9979  5393.83  148.669  5487.19  259.315  5348.12  181.451  137.704   3.2606  136.018   2.3098 1.686035 3.995827 
1 1 1    1   34  -12 o  307.208   2.0781 27185.46  349.399 26943.70  429.291 27659.88  601.365  305.276   2.4349  309.139   3.3682 -3.863129 4.156118 
1 1 1    1   35  -12 o  155.938   2.1855  7126.12  180.485  7267.43  216.945  6808.45  325.275  158.546   2.3693  153.329   3.6732 5.216141 4.370973 
1 1 1    1   36  -12 o  125.545   2.3193  4614.71  157.154  4712.98  191.957  4414.94  273.681  127.653   2.6037  123.437   3.8390 4.215553 4.638612 
1 1 1    1   37  -12 o   29.247   7.2218  230.677  153.490   87.377  263.596  304.190  188.799   26.620   10.859   31.874   9.5239 -5.254148 14.44357 
1 1 1    1   38  -12 o  444.629   2.2082 57256.08  566.925 57160.79  809.801 57347.67  793.940  444.252   3.1562  445.006   3.0891 -0.7532349 4.416366 
1 1 1    1   39  -12 o   53.794   6.0552  846.335  188.123   0.0000   0.0000  846.335  188.123  ?   ?    53.794   6.0552      ?      ? 
1 1 1    1   40  -12 o  179.518   2.0452  9367.33  200.379  9251.41  344.231  9426.74  246.434  178.571   3.3377  180.465   2.3644 -1.894012 4.090354 
1 1 1    1   41  -12 o   94.857   2.4261  2614.55  132.897  2634.87  187.037  2593.83  188.866   95.235   3.4005   94.480   3.4612 0.7547150 4.852175 
1 1 1    1   42  -12 o  128.151   1.9628  4763.62  145.194  4847.53  209.398  4685.92  201.499  129.230   2.8056  127.072   2.7456 2.158638 3.925517 
1 1 1    1   43  -12 o  100.150   2.9492  2988.46  159.499  3088.44  195.733  2790.84  275.171  102.955   3.2918   97.345   4.8945 5.610115 5.898439 
1 1 1    1   44  -12 o   39.784   6.4801  531.819  142.963  420.666  248.240  586.981  174.875   35.577   10.981   43.990   6.8832 -8.412800 12.96018 
1 1 1    1   45  -12 o   76.933   3.6695  1775.37  162.108  1812.24  219.396  1731.04  240.577   77.975   4.8718   75.890   5.4889 2.084709 7.339074 
1 1 1    1   46  -12 o   20.335   6.1449   19.481  136.209 -285.6359  263.413  130.840  159.136   18.156   8.7097   22.514   8.6706 -4.358063 12.28979 
1 1 1    1   47  -12 o   64.451   4.5118  1321.00  154.365  1209.58  270.429  1374.85  188.002   61.389   7.6274   67.513   4.8216 -6.124046 9.023600 
1 1 1    1   48  -12 o   42.235   6.5690  643.720  151.019  541.247  262.389  694.480  184.672   37.694   11.220   46.777   6.8357 -9.083084 13.13804 
1 1 1    1   49  -12 o   55.459   6.1000  1112.77  166.457  872.339  294.250  1225.92  201.861   48.042   10.860   62.876   5.5588 -14.83336 12.20009 
1 1 1    1   50  -12 o   65.950   4.2868  1397.52  148.759  1339.64  267.174  1423.52  179.086   63.612   7.2723   68.288   4.5408 -4.676743 8.573519 
1 1 1    1    0  -13 o  727.089   3.2110 152700.00  1348.18 153335.30  1919.06 152080.91  1894.40  728.582   4.5610  725.597   4.5209 -0.000000 0.000000 
1 1 1    1    1  -13 o   65.812   1.4781  1250.58   55.716  1248.82   74.148  1252.87   84.439   65.759   1.9524   65.865   2.2197 -0.1060028 2.956171 
1 1 1    1    2  -13 o  566.041   1.7903 92541.42  585.225 91889.77  832.055 93179.41  823.280  564.068   2.5541  568.013   2.5096 -3.945557 3.580700 
1 1 1    1    3  -13 o  167.222   1.1524  8075.16  111.291  8055.84  156.378  8094.97  158.422  167.020   1.6211  167.425   1.6384 -0.4050751 2.304850 
1 1 1    1    4  -13 o  1202.80   4.0611 417698.50  2796.15 415740.31  3711.23 420269.69  4252.50  1199.58   5.3568  1206.01   6.1053 -6.430664 8.122181 
1 1 1    1    5  -13 o  172.332   1.4036  8558.82  131.166  8525.25  159.841  8628.03  229.511  171.817   1.6108  172.846   2.2991 -1.028809 2.807224 
1 1 1    1    6  -13 o  670.269   2.1454 129802.00  829.840 128416.80  1193.86 131096.91  1154.28  666.806   3.1001  673.733   2.9665 -6.926819 4.290716 
1 1 1    1    7  -13 o  193.666   1.0807 10847.63  118.286 10751.30  187.291 10911.55  152.564  192.949   1.6807  194.383   1.3590 -1.434189 2.161368 
1 1 1    1    8  -13 o  621.353   2.1170 111653.00  749.948 110566.10  1154.16 112447.20  986.615  618.725   3.2298  623.980   2.7377 -5.255432 4.234038 
1 1 1    1    9  -13 o  269.485   1.2223 20940.38  181.234 20867.77  224.246 21077.13  307.740  268.815   1.4444  270.156   1.9723 -1.341217 2.444674 
1 1 1    1   10  -13 o  364.182   1.3364 38257.09  276.647 38552.03  432.057 38052.14  360.160  365.369   2.0475  362.996   1.7179 2.372925 2.672749 
1 1 1    1   11  -13 o  150.997   1.0664  6575.31   90.604  6623.94  145.871  6544.77  115.610  151.451   1.6677  150.544   1.3297 0.9065552 2.132883 
1 1 1    1   12  -13 o  584.345   2.0004 98809.72  664.363 97520.69  1032.67 99720.01  867.796  581.080   3.0771  587.610   2.5571 -6.530518 4.000883 
1 1 1    1   13  -13 o  296.873   1.1379 25451.53  192.589 25452.88  297.194 25450.56  252.867  296.879   1.7333  296.867   1.4748 0.1126099E-01 2.275851 
1 1 1    1   14  -13 o  983.393   3.5910 279448.59  2038.69 277663.91  2920.55 281144.81  2847.14  980.322   5.1583  986.464   4.9974 -6.141602 7.182086 
1 1 1    1   15  -13 o  365.649   2.2176 38763.21  433.099 38230.82  775.417 39004.61  522.134  363.803   3.6905  367.496   2.4601 -3.692871 4.435265 
1 1 1    1   16  -13 o  463.401   2.0220 61856.25  519.625 62618.04  868.158 61430.98  648.644  465.607   3.2285  461.196   2.4352 4.410126 4.043900 
1 1 1    1   17  -13 o  1223.50   5.5415 432961.81  3909.20 433045.31  5695.60 432887.41  5375.19  1223.56   8.0599  1223.44   7.6072 0.1107178 11.08294 
1 1 1    1   18  -13 o  731.321   3.9426 154687.50  1391.93 154395.50  2929.01 154772.70  1581.97  730.693   6.9407  731.949   3.7422 -1.256042 7.885249 
1 1 1    1   19  -13 o  476.054   2.0447 65494.75  552.026 65288.16  866.293 65635.99  716.289  475.409   3.1551  476.699   2.6017 -1.289978 4.089434 
1 1 1    1   20  -13 o  435.324   2.4969 54867.25  605.283 55194.84  762.163 54307.79  996.017  437.115   3.0190  433.532   3.9780 3.582550 4.993863 
1 1 1    1   21  -13 o  105.754   1.9109  3228.69  116.612  3186.38  161.139  3275.22  168.967  105.027   2.6565  106.480   2.7476 -1.452827 3.821801 
1 1 1    1   22  -13 o   97.117   2.0223  2725.65  112.619  3173.45  162.349  2310.29  156.354  104.811   2.6820   89.424   3.0274 15.38737 4.044537 
1 1 1    1   23  -13 o  163.759   1.7273  7758.97  162.915  7930.49  223.697  7565.25  237.735  165.691   2.3376  161.826   2.5437 3.865479 3.454667 
1 1 1    1   24  -13 o  212.214   1.7386 13011.08  213.083 12876.10  301.672 13145.48  301.018  211.115   2.4742  213.313   2.4434 -2.198090 3.477298 
1 1 1    1   25  -13 o  257.914   1.8321 19357.18  248.382 19555.34  296.148 18887.16  456.097  260.186   1.9708  255.642   3.0892 4.544327 3.664271 
1 1 1    1   26  -13 o  203.593   1.8996 11973.89  223.358   0.0000   0.0000 11973.89  223.358  ?   ?   203.593   1.8996      ?      ? 
1 1 1    1   27  -13 o  201.414   2.0131 11709.24  233.558 11509.72  317.777 11943.63  344.432  199.557   2.7572  203.272   2.9339 -3.715088 4.026151 
1 1 1    1   28  -13 o  229.606   2.0904 15232.50  277.203 15232.50  277.203   0.0000   0.0000  229.606   2.0904  ?   ?       ?      ? 
1 1 1    1   29  -13 o  151.546   2.4303  6652.63  211.259  6567.26  316.778  6721.01  283.513  150.653   3.6408  152.440   3.2203 -1.786514 4.860570 
1 1 1    1   30  -13 o  227.736   2.2437 15004.16  295.065 14762.33  417.986 15244.38  416.589  225.903   3.2037  229.569   3.1420 -3.666306 4.487323 
1 1 1    1   31  -13 o   29.697   6.2263  207.318  152.275 -222.8254  241.064  492.907  196.425   19.113   8.9114   40.281   8.6978 -21.16827 12.45254 
1 1 1    1   32  -13 o   92.459   2.2236  2464.84  118.532  2633.61  173.798  2318.08  162.074   95.407   3.1541   89.511   3.1351 5.896576 4.447179 
1 1 1    1   33  -13 o  120.267   2.6167  4182.49  181.751   0.0000   0.0000  4182.49  181.751  ?   ?   120.267   2.6167      ?      ? 
1 1 1    1   34  -13 o   62.058   3.9371  1102.99  140.026  986.638  184.702  1260.24  214.727   58.271   5.4882   65.845   5.6465 -7.573940 7.874228 
1 1 1    1   35  -13 f  217.245   1.5802 13655.19  197.611 13500.57  290.708 13788.01  269.432  216.091   2.3294  218.400   2.1360 -2.309280 3.160472 
1 1 1    1   36  -13 o  112.400   3.3405  3682.08  215.778  3837.92  294.889  3502.49  316.575  115.006   4.4397  109.795   4.9924 5.210640 6.680947 
1 1 1    1   37  -13 o  109.882   2.8124  3524.16  171.904  3587.00  216.876  3417.94  281.952  111.275   3.3746  108.488   4.5000 2.787666 5.624752 
1 1 1    1   38  -13 o  203.521   1.6552 11982.40  194.558 11914.66  274.923 12050.36  275.370  202.944   2.3456  204.098   2.3361 -1.153885 3.310458 
1 1 1    1   39  -13 o  154.792   1.8073  6934.24  161.139  6968.15  237.021  6905.08  219.729  155.130   2.6455  154.454   2.4632 0.6760559 3.614695 
1 1 1    1   40  -13 o  140.092   2.2437  5729.05  171.215  5801.28  210.511  5587.88  294.284  141.517   2.5756  138.667   3.6746 2.849808 4.487350 
1 1 1    1   41  -13 o   85.654   3.1097  2105.74  148.730  2005.09  185.832  2285.09  248.073   82.963   3.8784   88.346   4.8619 -5.382889 6.219347 
1 1 1    1   42  -13 o  213.481   1.8933 13199.09  221.501 13132.07  272.837 13328.68  379.364  212.863   2.2193  214.098   3.0680 -1.234634 3.786566 
1 1 1    1   43  -13 o   63.708   3.2362  1194.99  119.058  1191.28  166.865  1198.84  169.924   63.617   4.5416   63.800   4.6116 -0.1829071 6.472449 
1 1 1    1   44  -13 o   77.408   4.0216  1792.28  179.398  1966.11  260.759  1636.05  247.199   81.019   5.5727   73.797   5.7999 7.222816 8.043269 
1 1 1    1   45  -13 o   79.066   3.9293  1846.95  179.428  1846.95  179.428   0.0000   0.0000   79.066   3.9293  ?   ?       ?      ? 
1 1 1    1   46  -13 o   91.743   3.4886  2536.26  184.707  2525.78  265.978  2546.01  256.698   91.481   5.0342   92.004   4.8309 -0.5230713 6.977164 
1 1 1    1   47  -13 o   25.714   9.3617  210.821  180.206   0.0000   0.0000  210.821  180.206  ?   ?    25.714   9.3617      ?      ? 
1 1 1    1   48  -13 o   21.886   6.9154 -84.8524  194.411  191.924  272.417 -372.1223  277.533   26.420   10.936   17.352   8.4678 9.068249 13.83082 
1 1 1    1   49  -13 o   44.674   8.2723  687.685  205.576   0.0000   0.0000  687.685  205.576  ?   ?    44.674   8.2723      ?      ? 
1 1 1    1   50  -13 o   26.649   7.7002  232.647  196.908  380.505  272.706   71.594  284.615   30.270   11.424   23.029   10.328 7.240845 15.40045 
1 1 1    1    0  -14 o  279.635   1.7125 22493.61  261.269 22870.38  452.389 22305.05  320.038  281.373   2.7845  277.897   1.9943 -0.000000 0.000000 
1 1 1    1    1  -14 o  923.464   3.0790 246316.91  1624.34 246461.30  2487.38 246209.59  2144.83  923.680   4.6627  923.249   4.0224 0.4307861 6.157971 
1 1 1    1    2  -14 o  196.295   0.9900 11129.14  112.212 11256.00  157.724 10999.13  159.677  197.428   1.3833  195.162   1.4166 2.265884 1.979975 
1 1 1    1    3  -14 o  918.938   3.0904 244203.20  1620.50 242114.30  2486.55 245745.41  2136.53  915.496   4.7028  922.380   4.0106 -6.883484 6.180727 
1 1 1    1    4  -14 o   74.734   1.8700  1601.68   78.849  1665.04  126.892  1561.82  100.637   75.929   2.8936   73.539   2.3695 2.389549 3.739985 
1 1 1    1    5  -14 o  656.910   2.6772 124952.10  989.488 123257.20  1584.81 126034.90  1266.72  653.233   4.2007  660.587   3.3202 -7.353882 5.354431 
1 1 1    1    6  -14 o  215.131   1.0324 13366.69  128.238 13303.96  183.420 13426.68  179.361  214.637   1.4796  215.625   1.4403 -0.9878845 2.064876 
1 1 1    1    7  -14 o  332.811   1.6552 32001.12  317.936 31589.05  456.425 32389.53  443.128  330.728   2.3895  334.893   2.2911 -4.165405 3.310415 
1 1 1    1    8  -14 o  172.466   0.8394  8587.99   83.604  8432.43  117.374  8748.19  119.113  170.881   1.1893  174.051   1.1849 -3.169937 1.678855 
1 1 1    1    9  -14 o  297.484   1.7812 25526.28  289.656 25656.25  498.385 25459.98  355.944  298.050   2.8953  296.918   2.0757 1.132202 3.562462 
1 1 1    1   10  -14 o  257.680   1.7224 19136.89  244.859 19044.26  303.830 19308.51  413.582  256.796   2.0486  258.564   2.7695 -1.767700 3.444872 
1 1 1    1   11  -14 o  241.666   1.3765 16866.03  192.119 16735.02  271.246 16997.91  272.151  240.725   1.9510  242.608   1.9423 -1.883469 2.752996 
1 1 1    1   12  -14 o  232.949   1.6320 15681.85  207.213 15641.71  357.947 15702.08  254.123  232.721   2.6632  233.177   1.8870 -0.4566040 3.263932 
1 1 1    1   13  -14 o  144.555   1.3138  6033.24  108.496  6044.55  166.171  6024.83  143.243  144.673   1.9888  144.438   1.7171 0.2346802 2.627502 
1 1 1    1   14  -14 o  327.943   1.9006 31300.13  307.285 30603.46  624.247 31522.93  353.017  325.502   3.3206  330.384   1.8501 -4.881866 3.801215 
1 1 1    1   15  -14 o  668.177   3.1233 128835.60  1194.94 130130.30  1816.93 127848.90  1586.26  671.111   4.6877  665.243   4.1287 5.868713 6.246602 
1 1 1    1   16  -14 o  334.967   2.3446 32418.62  452.697 32284.01  660.599 32537.80  621.599  334.308   3.4214  335.626   3.2068 -1.317902 4.689296 
1 1 1    1   17  -14 o  587.270   3.6424 99698.33  1234.99 98527.31  1763.02 100826.60  1730.51  583.877   5.2282  590.664   5.0728 -6.787720 7.284722 
1 1 1    1   18  -14 o  265.770   2.0440 20399.96  313.738   0.0000   0.0000 20399.96  313.738  ?   ?   265.770   2.0440      ?      ? 
1 1 1    1   19  -14 o  205.359   1.8476 12183.26  219.038 12244.95  305.674 12118.14  314.028  205.894   2.5706  204.824   2.6546 1.070663 3.695245 
1 1 1    1   20  -14 o  215.535   1.8555 13424.93  230.811 13244.02  331.346 13595.47  321.700  214.122   2.6794  216.947   2.5675 -2.825302 3.710956 
1 1 1    1   21  -14 o  299.089   1.9359 25684.29  311.859 26277.49  554.772 25410.23  377.077  301.577   3.1852  296.600   2.2013 4.977081 3.871799 
1 1 1    1   22  -14 o  180.902   1.6649  9290.46  137.504  9189.86  152.738  9720.68  315.849  178.381   1.4826  183.423   2.9815 -5.041885 3.329808 
1 1 1    1   23  -14 o  182.847   1.2452  9636.89  129.190  9552.09  167.379  9761.85  203.190  181.858   1.5936  183.837   1.9138 -1.978531 2.490390 
1 1 1    1   24  -14 o  376.024   1.7002 40825.12  358.756 40956.50  581.097 40744.19  456.045  376.491   2.6724  375.557   2.1026 0.9347534 3.400395 
1 1 1    1   25  -14 o  375.913   1.7360 40927.83  366.169 40415.38  590.823 41247.43  466.583  373.972   2.7355  377.855   2.1381 -3.882965 3.471903 
1 1 1    1   26  -14 o  128.826   1.6762  4795.32  124.707  4881.31  176.932  4710.44  175.797  129.974   2.3570  127.678   2.3840 2.295982 3.352494 
1 1 1    1   27  -14 o  147.008   1.7916  6321.02  137.133  6071.66  254.827  6422.66  162.701  144.916   3.0447  149.101   1.8894 -4.184784 3.583292 
1 1 1    1   28  -14 o  244.603   2.2395 17307.38  316.260 17105.48  451.587 17501.73  443.053  243.197   3.2151  246.009   3.1183 -2.811813 4.478938 
1 1 1    1   29  -14 o  128.580   2.4869  4779.12  184.679  4779.12  184.679   0.0000   0.0000  128.580   2.4869  ?   ?       ?      ? 
1 1 1    1   30  -14 o  187.444   2.2436 10156.10  242.522 10312.93  353.903 10017.24  333.006  188.799   3.2456  186.089   3.0985 2.710587 4.487157 
1 1 1    1   31  -14 f   51.891   5.3880  853.407  134.700  686.348  254.518  918.404  158.756   47.515   9.6051   56.267   4.8853 -8.751694 10.77607 
1 1 1    1   32  -14 o  183.026   2.3461  9675.72  246.430  9856.02  371.473  9534.01  329.331  184.525   3.4857  181.526   3.1413 2.998764 4.692292 
1 1 1    1   33  -14 o   56.679   4.5966  844.531  139.355  1188.96  265.115  713.033  163.810   63.831   7.1914   49.526   5.7269 14.30538 9.193155 
1 1 1    1   34  -14 o  165.904   2.3747  7957.86  227.537   0.0000   0.0000  7957.86  227.537  ?   ?   165.904   2.3747      ?      ? 
1 1 1    1   35  -14 o  128.597   2.4319  4837.94  162.238  4676.56  303.690  4902.39  191.920  127.000   4.1404  130.194   2.5524 -3.193710 4.863887 
1 1 1    1   36  -14 o  125.194   3.2159  4538.50  232.523  4538.50  232.523   0.0000   0.0000  125.194   3.2159  ?   ?       ?      ? 
1 1 1    1   37  -14 o  175.167   2.3744  8900.92  239.841  9107.30  332.534  8677.16  346.254  177.305   3.2474  173.028   3.4649 4.276184 4.748785 
1 1 1    1   38  -14 o  146.424   2.5436  6205.65  215.101   0.0000   0.0000  6205.65  215.101  ?   ?   146.424   2.5436      ?      ? 
1 1 1    1   39  -14 o  178.604   2.0849  9228.41  203.339  9191.78  249.568  9300.73  350.707  178.186   2.4251  179.022   3.3920 -0.8366089 4.169730 
1 1 1    1   40  -14 o   63.246   5.1010  1188.90  185.919  1272.90  262.298  1104.09  263.565   65.561   6.9273   60.931   7.4897 4.629807 10.20210 
1 1 1    1   41  -14 o  129.736   2.0523  4884.70  153.721  5001.60  220.986  4775.10  213.972  131.236   2.9156  128.236   2.8891 2.999466 4.104564 
1 1 1    1   42  -14 o   23.628   6.2152  101.000  129.264 -98.1504  195.057  256.950  172.608   18.384   8.3672   28.871   9.1926 -10.48719 12.43034 
1 1 1    1   43  -14 o   52.560   6.6820  909.333  192.702  735.923  291.437  1044.04  256.867   46.775   10.977   58.345   7.6228 -11.57025 13.36406 
1 1 1    1   44  -14 o   44.895   5.8497  625.745  139.971  704.416  245.914  588.044  170.238   45.986   9.5705   43.804   6.7291 2.181938 11.69940 
1 1 1    1   45  -14 o   47.060   5.9910  746.989  149.336  641.908  248.610  806.309  186.791   42.934   10.181   51.187   6.3185 -8.252453 11.98200 
1 1 1    1   46  -14 o   72.553   4.0276  1687.10  156.891  1870.48  197.023  1369.29  259.373   79.093   4.3131   66.013   6.8032 13.08046 8.055192 
1 1 1    1   47  -14 o   21.012   6.7298 -13.4493  155.326 -16.4608  179.806  -4.5932  308.344   18.563   8.2752   23.461   10.615 -4.897753 13.45964 
1 1 1    1   48  -14 o   19.496   6.3986 -96.6726  171.393 -114.1745  229.953 -74.7973  257.083   18.652   8.6987   20.341   9.3862 -1.689436 12.79723 
1 1 1    1   49  -14 o   49.275   7.5236  809.218  214.109   0.0000   0.0000  809.218  214.109  ?   ?    49.275   7.5236      ?      ? 
1 1 1    1    0  -15 o  743.654   3.2674 159737.59  1403.17 157872.20  1978.81 161624.20  1990.01  739.286   4.6350  748.021   4.6067 -0.000000 0.000000 
1 1 1    1    1  -15 f   87.056   1.5758  2185.95   78.868  2160.60  106.274  2217.03  117.667   86.496   2.1274   87.617   2.3253 -1.121506 3.151649 
1 1 1    1    2  -15 o  470.168   1.7412 63840.64  472.799 63739.26  665.580 63943.91  671.740  469.791   2.4531  470.544   2.4718 -0.7532349 3.482441 
1 1 1    1    3  -15 o   98.140   1.3105  2762.62   72.353  2700.86   91.922  2863.18  117.300   96.708   1.6458   99.571   2.0398 -2.862434 2.620928 
1 1 1    1    4  -15 o  1105.74   4.1399 353281.09  2493.71 353230.69  4314.96 353306.31  3055.66  1105.58   6.7577  1105.90   4.7841 -0.3220215 8.279779 
1 1 1    1    5  -15 o  165.400   0.9310  7897.54   87.762  7883.84  115.093  7916.56  135.654  165.229   1.2061  165.571   1.4186 -0.3417206 1.862017 
1 1 1    1    6  -15 o  186.302   1.5074 10007.12  151.873 10070.61  267.014  9976.76  184.651  186.736   2.4758  185.869   1.7201 0.8672485 3.014724 
1 1 1    1    7  -15 o  147.128   1.0793  6251.86   91.643  6268.69  127.322  6233.77  132.010  147.334   1.4963  146.923   1.5557 0.4111633 2.158513 
1 1 1    1    8  -15 o  751.680   3.4803 162826.59  1492.82 165821.30  2305.60 160665.00  1958.87  757.592   5.2694  745.767   4.5480 11.82513 6.960659 
1 1 1    1    9  -15 o  126.010   1.3798  4586.66  100.359  4617.62  139.818  4553.76  144.139  126.449   1.9145  125.572   1.9875 0.8777161 2.759626 
1 1 1    1   10  -15 o  338.854   2.1209 33030.84  384.736 33515.10  690.823 32813.12  463.223  340.636   3.5115  337.072   2.3795 3.564270 4.241758 
1 1 1    1   11  -15 o  521.526   2.4782 78554.70  746.391 79199.81  1063.57 77928.70  1047.71  523.635   3.5169  519.417   3.4925 4.218018 4.956422 
1 1 1    1   12  -15 o  833.789   4.3844 200598.59  2003.61 199889.30  2468.61 201968.00  3429.89  831.744   5.1390  835.834   7.1052 -4.089722 8.768854 
1 1 1    1   13  -15 o  131.173   1.6392  4963.53  117.566  4987.46  202.168  4951.31  144.514  131.409   2.6638  130.937   1.9110 0.4716644 3.278382 
1 1 1    1   14  -15 o  780.288   4.1530 175341.59  1781.27 173925.91  2199.35 178040.70  3036.82  775.832   4.9084  784.743   6.7005 -8.910828 8.305960 
1 1 1    1   15  -15 o  267.003   2.0182 20596.38  311.133 20340.13  443.518 20844.68  436.580  265.367   2.8939  268.640   2.8139 -3.272980 4.036396 
1 1 1    1   16  -15 o  137.295   1.6544  5445.85  123.077  5448.82  150.044  5439.75  215.180  137.356   1.8914  137.234   2.7149 0.1226959 3.308803 
1 1 1    1   17  -15 o  508.649   3.3742 74790.99  990.951 73840.97  1412.36 75712.13  1390.73  505.461   4.8381  511.837   4.7046 -6.375977 6.748358 
1 1 1    1   18  -15 o  239.686   1.6989 16592.43  229.412 16587.89  293.719 16599.53  367.380  239.650   2.1221  239.722   2.6535 -0.7153320E-01 3.397729 
1 1 1    1   19  -15 f  155.135   1.5084  6966.33  133.788  7060.96  177.730  6842.60  203.234  156.356   1.9682  153.915   2.2863 2.441452 3.016750 
1 1 1    1   20  -15 o  239.247   1.7097 16492.37  225.501 16674.38  381.672 16394.76  279.501  240.247   2.7507  238.246   2.0313 2.000656 3.419446 
1 1 1    1   21  -15 o  298.413   1.6180 25722.37  278.444 25748.01  404.979 25699.38  383.460  298.552   2.3487  298.275   2.2260 0.2768555 3.235942 
1 1 1    1   22  -15 o  325.192   1.5877 30422.55  286.461 30100.71  357.486 31000.01  478.844  322.815   1.9174  327.569   2.5311 -4.754547 3.175359 
1 1 1    1   23  -15 o  286.348   1.8937 23804.25  296.211 23344.75  507.211 24042.08  364.903  284.213   3.0900  288.484   2.1901 -4.270844 3.787456 
1 1 1    1   24  -15 o  321.414   1.8227 29659.91  303.970 29419.03  357.625 30286.90  576.976  319.123   1.9404  323.706   3.0862 -4.583038 3.645488 
1 1 1    1   25  -15 o  203.718   1.2090 11991.35  139.388 11972.39  220.217 12004.02  180.044  203.577   1.8730  203.859   1.5292 -0.2819824 2.417965 
1 1 1    1   26  -15 o  225.378   1.6431 14673.31  213.873   0.0000   0.0000 14673.31  213.873  ?   ?   225.378   1.6431      ?      ? 
1 1 1    1   27  -15 o  267.963   1.3486 20771.96  204.256 20619.14  323.438 20873.35  263.434  267.127   2.0965  268.799   1.6969 -1.671356 2.697156 
1 1 1    1   28  -15 o   61.200   2.6065  1092.39   91.348  999.694  134.533  1171.69  124.429   58.762   3.9641   63.639   3.3854 -4.876446 5.212990 
1 1 1    1   29  -15 o  159.033   1.7735  7374.37  134.442  7423.49  152.267  7200.64  286.357  160.296   1.6447  157.770   3.1427 2.525284 3.547035 
1 1 1    1   30  -15 o  158.986   2.4771  7307.71  227.449  7307.71  227.449   0.0000   0.0000  158.986   2.4771  ?   ?       ?      ? 
1 1 1    1   31  -15 o  206.767   2.0073 12419.48  221.636 12222.28  396.671 12508.98  267.242  205.506   3.3421  208.029   2.2243 -2.522766 4.014637 
1 1 1    1   32  -15 o   67.009   4.7687  1302.60  184.555  1302.60  184.555   0.0000   0.0000   67.009   4.7687  ?   ?       ?      ? 
1 1 1    1   33  -15 o   72.889   3.8858  1561.05  153.883  1596.03  189.238  1492.77  264.396   74.190   4.4165   71.588   6.3948 2.601860 7.771698 
1 1 1    1   34  -15 o  124.637   2.5396  4500.04  175.622  4502.25  219.796  4496.14  292.072  124.730   3.0511  124.543   4.0606 0.1874084 5.079127 
1 1 1    1   35  -15 o  112.671   3.2638  3678.55  212.070  3815.12  310.328  3558.89  290.479  114.619   4.6879  110.722   4.5425 3.897087 6.527673 
1 1 1    1   36  -15 o   94.205   3.7495  2572.16  203.502  2827.06  298.657  2351.23  278.040   98.550   5.2472   89.859   5.3575 8.690689 7.499045 
1 1 1    1   37  -15 o   94.502   3.1366  2520.14  162.945  2362.68  198.965  2840.87  283.952   90.231   3.8180   98.772   4.9776 -8.541290 6.273272 
1 1 1    1   38  -15 o  145.370   1.8885  6123.31  158.409  6032.79  228.030  6207.73  220.223  144.321   2.7358  146.419   2.6042 -2.098190 3.777084 
1 1 1    1   39  -15 o  115.631   2.6232  3906.40  164.494  3944.31  201.243  3830.07  285.535  116.616   2.9880  114.645   4.3124 1.971191 5.246399 
1 1 1    1   40  -15 o   72.511   3.9780  1517.09  158.605  1451.44  194.520  1647.31  273.954   70.407   4.7837   74.615   6.3572 -4.208496 7.955979 
1 1 1    1   41  -15 o   16.135   5.6289 -546.0953  189.036 -587.4007  270.693 -506.7769  264.102   15.922   7.8841   16.348   8.0360 -0.4257021 11.25772 
1 1 1    1   42  -15 o  101.006   2.9187  2961.87  163.011  3107.56  276.126  2883.93  201.960  102.669   4.6567   99.343   3.5200 3.326393 5.837433 
1 1 1    1   43  -15 o  142.374   2.2542  5946.73  179.561  6010.79  228.072  5842.29  291.225  143.611   2.7498  141.139   3.5727 2.472137 4.508399 
1 1 1    1   44  -15 o   58.456   5.8496  1085.92  196.736  966.164  271.348  1218.65  285.656   54.872   8.5623   62.040   7.9723 -7.168499 11.69916 
1 1 1    1   45  -15 o   84.010   4.0045  2156.25  194.006  2134.72  281.162  2175.81  268.039   83.471   5.8322   84.549   5.4892 -1.077477 8.009095 
1 1 1    1   46  -15 o   70.589   4.6591  1501.91  189.944  1501.91  189.944   0.0000   0.0000   70.589   4.6591  ?   ?       ?      ? 
1 1 1    1   47  -15 f   25.742   6.0841  169.995  129.397  409.608  183.716 -65.8942  182.283   33.975   9.1559   17.509   8.0147 16.46529 12.16821 
1 1 1    1   48  -15 o   34.569   7.4774  409.404  164.444  705.866  277.737  249.373  204.057   42.367   11.186   26.770   9.9258 15.59681 14.95473 
1 1 1    1   49  -15 o   38.378   9.3789  551.001  206.122   0.0000   0.0000  551.001  206.122  ?   ?    38.378   9.3789      ?      ? 
1 1 1    1    0  -16 o  162.484   1.7209  7617.93  160.817  7501.40  217.503  7758.46  238.852  161.119   2.3385  163.849   2.5254 -0.000000 0.000000 
1 1 1    1    1  -16 o  801.483   3.3207 185655.41  1508.63 185127.41  2371.34 186014.41  1955.38  800.495   5.1292  802.470   4.2191 -1.974426 6.641485 
1 1 1    1    2  -16 o   83.326   1.6492  2005.37   79.071  2002.97  116.933  2007.39  107.330   83.279   2.4312   83.372   2.2290 -0.9246826E-01 3.298345 
1 1 1    1    3  -16 o  267.702   1.5660 20532.98  198.797 20983.18  431.438 20411.63  223.993  269.543   2.7714  265.860   1.4588 3.683319 3.131922 
1 1 1    1    4  -16 o  113.961   1.3431  3747.81   88.173  3713.84  120.193  3787.40  129.744  113.402   1.8352  114.519   1.9617 -1.117073 2.686244 
1 1 1    1    5  -16 o  496.075   2.6880 70969.08  737.555 70689.48  918.303 71477.28  1238.03  494.719   3.2140  497.430   4.3094 -2.711487 5.375906 
1 1 1    1    6  -16 o  169.700   1.1812  8328.73  114.611  8228.52  174.327  8405.02  152.104  168.799   1.7882  170.601   1.5437 -1.802032 2.362348 
1 1 1    1    7  -16 o  306.021   1.9219 26868.98  318.982 27562.83  560.298 26536.26  387.997  308.917   3.1404  303.125   2.2163 5.792694 3.843728 
1 1 1    1    8  -16 f   65.537   1.9571  1232.01   73.446  1179.64   96.863  1302.86  112.653   63.910   2.6243   67.164   2.9042 -3.253925 3.914218 
1 1 1    1    9  -16 o  640.074   2.8760 118364.10  1062.84 117776.60  1519.91 118926.30  1486.81  638.517   4.1215  641.632   4.0122 -3.115051 5.751941 
1 1 1    1   10  -16 o  423.707   2.4434 51546.07  564.894 50922.19  691.280 52800.05  980.046  419.890   2.8506  427.525   3.9692 -7.634827 4.886727 
1 1 1    1   11  -16 f  1425.42   7.4611 587397.12  5794.01 591128.38 10037.93 585532.81  7095.33  1428.18   12.170  1422.67   8.6354 5.505737 14.92214 
1 1 1    1   12  -16 o  513.783   2.3535 76252.88  698.315 76009.72  992.798 76490.98  982.416  512.971   3.3511  514.595   3.3056 -1.623474 4.707050 
1 1 1    1   13  -16 o  585.282   3.2165 98761.25  1027.31 98318.00  1259.62 99641.80  1775.35  583.381   3.7385  587.183   5.2351 -3.802124 6.432968 
1 1 1    1   14  -16 o  236.662   1.7371 16148.16  227.816 16075.43  284.273 16278.72  380.883  235.925   2.0863  237.400   2.7780 -1.474655 3.474144 
1 1 1    1   15  -16 o  975.266   5.4471 275589.69  2985.76 276810.81  3811.69 273650.69  4803.19  978.299   6.7462  972.233   8.5541 6.065857 10.89423 
1 1 1    1   16  -16 f  485.066   3.2127 67972.24  900.017   0.0000   0.0000 67972.24  900.017  ?   ?   485.066   3.2127      ?      ? 
1 1 1    1   17  -16 o  324.211   2.2116 30249.39  378.089 30653.82  697.171 30080.88  450.013  325.712   3.7061  322.710   2.4145 3.002197 4.423262 
1 1 1    1   18  -16 o  318.959   1.2713 29422.49  231.392 29122.75  354.855 29644.22  305.204  317.540   1.9349  320.378   1.6495 -2.838501 2.542584 
1 1 1    1   19  -16 o  506.129   2.3102 74046.45  648.432 73919.40  1079.67 74118.13  810.982  505.746   3.6964  506.512   2.7723 -0.7654114 4.620456 
1 1 1    1   20  -16 o  265.307   1.2460 20331.00  190.913 20088.70  270.046 20573.10  269.936  263.727   1.7730  266.888   1.7512 -3.161377 2.492035 
1 1 1    1   21  -16 o  393.552   1.5793 44734.14  358.510 44578.39  494.368 44906.90  520.672  392.833   2.1790  394.271   2.2866 -1.437775 3.158555 
1 1 1    1   22  -16 f  407.652   2.3438 48221.50  479.968 47651.49  950.651 48416.51  556.041  405.934   4.0549  409.370   2.3518 -3.436462 4.687572 
1 1 1    1   23  -16 o  267.941   1.5376 20743.16  237.902 20607.93  338.646 20874.93  334.285  267.077   2.1955  268.804   2.1533 -1.727051 3.075146 
1 1 1    1   24  -16 o  139.089   1.4629  5565.23  108.870  5652.75  195.727  5526.02  131.007  139.865   2.4230  138.313   1.6400 1.551865 2.925858 
1 1 1    1   25  -16 o  196.597   1.1990 11153.36  134.341 11238.09  207.884 11092.60  176.037  197.231   1.8250  195.962   1.5554 1.269409 2.397899 
1 1 1    1   26  -16 o  125.050   1.5296  4502.28  107.292  4587.38  174.621  4450.67  135.990  125.986   2.3999  124.114   1.8971 1.871895 3.059171 
1 1 1    1   27  -16 o  305.481   2.2682 26970.46  400.178 26970.46  400.178   0.0000   0.0000  305.481   2.2682  ?   ?       ?      ? 
1 1 1    1   28  -16 o   96.145   1.7394  2673.96   96.405  2642.52  140.259  2702.11  132.728   95.605   2.5402   96.684   2.3770 -1.078766 3.478852 
1 1 1    1   29  -16 o  125.070   2.2853  4410.83  136.267  4731.62  296.898  4325.21  153.376  127.810   4.0221  122.330   2.1709 5.480095 4.570598 
1 1 1    1   30  -16 o  216.815   2.2895 13595.25  286.112 13715.18  418.959 13490.44  391.665  217.697   3.3322  215.932   3.1406 1.764832 4.578978 
1 1 1    1   31  -16 o  115.073   2.6495  3811.34  150.950  3879.95  307.690  3789.60  173.229  115.669   4.6059  114.478   2.6201 1.191200 5.298940 
1 1 1    1   32  -16 o  102.419   2.4718  2998.80  127.917  2959.17  148.027  3115.68  254.182  101.161   2.5336  103.676   4.2450 -2.514671 4.943630 
1 1 1    1   33  -16 o  213.042   1.6511 13121.64  202.667 13137.70  297.170 13107.67  277.109  213.155   2.4139  212.930   2.2534 0.2257385 3.302220 
1 1 1    1   34  -16 o  151.809   2.1805  6633.89  179.888  6779.64  314.398  6562.94  219.339  152.982   3.5584  150.636   2.5212 2.346710 4.361009 
1 1 1    1   35  -16 o   63.889   4.7294  1168.56  169.598  1094.02  213.027  1297.59  280.269   61.240   6.0231   66.538   7.2933 -5.298172 9.458792 
1 1 1    1   36  -16 o  210.948   1.6266 12869.72  197.917 12918.67  287.583 12825.67  272.795  211.320   2.3563  210.576   2.2431 0.7443237 3.253250 
1 1 1    1   37  -16 o  104.310   2.7566  3169.55  163.664  3217.67  214.936  3103.16  252.483  105.308   3.5340  103.311   4.2316 1.996857 5.513159 
1 1 1    1   38  -16 o  176.445   2.0931  9124.05  200.632  9323.44  246.625  8733.87  344.994  179.451   2.3796  173.439   3.4441 6.012589 4.186244 
1 1 1    1   39  -16 o   68.185   4.9582  1386.28  194.222  1251.04  278.319  1514.66  271.164   64.813   7.4352   71.557   6.5614 -6.743141 9.916384 
1 1 1    1   40  -16 o   62.723   5.3484  1174.66  191.409  1443.14  282.069  945.516  260.592   69.493   7.0279   55.953   8.0641 13.54046 10.69678 
1 1 1    1   41  -16 o   93.680   3.7007  2598.06  200.031  2678.30  279.971  2514.39  285.897   95.219   5.0910   92.142   5.3724 3.077095 7.401408 
1 1 1    1   42  -16 o   58.454   3.9709  1021.87  133.937  1012.13  192.946  1030.93  186.071   58.138   5.7464   58.770   5.4820 -0.6316185 7.941855 
1 1 1    1   43  -16 o  110.867   3.5668  3699.50  226.729  3298.89  326.769  4071.42  314.849  104.762   5.4007  116.972   4.6605 -12.21004 7.133634 
1 1 1    1   44  -16 o   95.317   3.5301  2678.71  194.331   0.0000   0.0000  2678.71  194.331  ?   ?    95.317   3.5301      ?      ? 
1 1 1    1   45  -16 o   34.903   9.3252  425.274  191.551  425.274  191.551   0.0000   0.0000   34.903   9.3252  ?   ?       ?      ? 
1 1 1    1   46  -16 o   77.922   3.0745  1823.84  138.353  1822.57  196.788  1825.09  194.553   77.876   4.3753   77.968   4.3205 -0.9161377E-01 6.149008 
1 1 1    1   47  -16 o   74.758   4.7799  1701.76  206.377   0.0000   0.0000  1701.76  206.377  ?   ?    74.758   4.7799      ?      ? 
1 1 1    1   48  -16 o   64.870   4.8495  1372.87  172.309  1361.87  290.348  1378.85  214.084   63.424   7.9264   66.316   5.5896 -2.892162 9.699062 
1 1 1    1    0  -17 o   71.886   3.1712  1501.09  131.075   0.0000   0.0000  1501.09  131.075   71.886   3.1712   71.886   3.1712 -0.000000 0.000000 
1 1 1    1    1  -17 o   96.685   1.5766  2699.57   88.018  2692.21  123.154  2707.25  125.841   96.551   2.2085   96.820   2.2505 -0.2691116 3.153134 
1 1 1    1    2  -17 o  701.030   2.9451 141895.70  1169.17 141614.00  1510.87 142316.09  1845.91  700.187   3.7362  701.872   4.5537 -1.685486 5.890292 
1 1 1    1    3  -17 o  281.307   2.2403 22858.31  363.950 22664.30  516.742 23049.29  512.687  280.122   3.1940  282.493   3.1424 -2.370117 4.480681 
1 1 1    1    4  -17 o  1084.92   6.6574 340339.69  4169.36 334877.00  5787.97 346231.69  6011.08  1075.89   9.3148  1093.94   9.5142 -18.04504 13.31486 
1 1 1    1    5  -17 o   85.943   2.7766  2133.27  137.820  2133.27  137.820   0.0000   0.0000   85.943   2.7766  ?   ?       ?      ? 
1 1 1    1    6  -17 o  359.122   2.4137 37255.71  500.562 37505.98  703.631 36999.27  712.251  360.344   3.3810  357.900   3.4458 2.444153 4.827456 
1 1 1    1    7  -17 o  194.608   1.8462 10938.52  207.500 10879.96  294.050 10996.61  292.852  194.089   2.6232  195.127   2.5986 -1.037933 3.692447 
1 1 1    1    8  -17 o  140.770   1.6306  5683.97  125.270  5605.49  153.263  5841.92  217.432  139.319   1.9048  142.221   2.6471 -2.901917 3.261200 
1 1 1    1    9  -17 o   87.345   1.8834  2210.38   93.350  2241.62  121.671  2165.68  145.548   88.099   2.3913   86.591   2.9104 1.508232 3.766768 
1 1 1    1   10  -17 o  289.360   1.5706 24182.34  262.465 24357.10  371.094 24007.41  371.268  290.406   2.2125  288.314   2.2297 2.092468 3.141132 
1 1 1    1   11  -17 o  354.668   1.8015 36331.71  369.012 36251.97  522.807 36410.86  520.922  354.280   2.5551  355.056   2.5403 -0.7759399 3.603036 
1 1 1    1   12  -17 o  432.741   2.7978 53800.10  606.824 54715.24  1214.82 53495.84  700.475  435.127   4.8340  430.356   2.8182 4.770935 5.595574 
1 1 1    1   13  -17 f  473.918   2.7982 64668.43  705.316 65468.63  1280.70 64320.07  845.007  475.966   4.6589  471.871   3.1006 4.094635 5.596411 
1 1 1    1   14  -17 o  184.287   1.6966  9832.34  175.674  9709.48  282.471  9909.83  224.338  183.342   2.6676  185.233   2.0970 -1.891647 3.393184 
1 1 1    1   15  -17 o  459.644   2.2281 61059.76  587.548 60824.26  882.381 61247.36  787.523  458.836   3.3298  460.452   2.9614 -1.615845 4.456122 
1 1 1    1   16  -17 o  902.771   4.9609 236176.70  2496.71 236961.00  3146.98 234844.70  4101.40  905.076   6.0204  900.468   7.8864 4.608032 9.921702 
1 1 1    1   17  -17 o  289.434   1.8099 23991.80  268.003 23756.23  312.497 24646.90  521.116  286.794   1.8866  292.073   3.0893 -5.279785 3.619819 
1 1 1    1   18  -17 f  510.433   2.0100 75217.48  590.585 75957.21  873.314 74594.11  801.701  512.734   2.9491  508.132   2.7318 4.602448 4.019968 
1 1 1    1   19  -17 o  254.633   1.6838 18711.22  217.471 18771.54  426.092 18689.97  252.889  254.887   2.8945  254.380   1.7213 0.5069427 3.367635 
1 1 1    1   20  -17 o  306.486   1.5027 27136.82  258.839 27142.67  330.052 27127.46  417.171  306.542   1.8643  306.431   2.3572 0.1108093 3.005307 
1 1 1    1   21  -17 f  128.666   1.3122  4788.98   96.093  4823.39  125.871  4740.92  148.774  129.224   1.6865  128.108   2.0108 1.116318 2.624437 
1 1 1    1   22  -17 o  415.164   2.2559 49867.32  474.877 49735.42  929.480 49913.90  552.416  414.690   3.8809  415.639   2.3013 -0.9491577 4.511881 
1 1 1    1   23  -17 o  213.872   1.4360 13215.29  177.363 13230.64  249.533 13199.61  252.145  213.999   2.0190  213.746   2.0425 0.2523041 2.871963 
1 1 1    1   24  -17 o  186.358   1.0831 10014.67  115.025 10136.62  178.285  9927.71  150.549  187.323   1.6479  185.392   1.4061 1.931458 2.166248 
1 1 1    1   25  -17 o   74.072   2.2777  1563.23   95.611  1472.55  122.362  1705.38  153.210   71.363   2.9688   76.780   3.4550 -5.417030 4.555338 
1 1 1    1   26  -17 o  161.502   1.1606  7530.71  107.525  7574.78  161.960  7495.98  143.785  161.920   1.7319  161.084   1.5455 0.8363647 2.321233 
1 1 1    1   27  -17 o  304.362   1.9665 26756.83  330.166 26891.41  557.222 26684.02  409.862  304.890   3.1645  303.835   2.3357 1.054962 3.933097 
1 1 1    1   28  -17 o  187.295   2.2543 10158.91  243.147 10283.02  332.655 10016.54  356.284  188.539   3.0550  186.051   3.3157 2.488159 4.508542 
1 1 1    1   29  -17 o  239.707   1.1471 16591.21  156.083 16655.44  244.669 16547.13  202.682  240.087   1.7645  239.327   1.4663 0.7594604 2.294273 
1 1 1    1   30  -17 o  163.911   1.9695  7667.98  149.015  7601.17  166.212  7941.63  336.398  162.191   1.7744  165.631   3.5166 -3.440521 3.938920 
1 1 1    1   31  -17 o  185.116   2.5844  9894.22  274.175 10151.05  416.661  9698.09  364.113  187.200   3.8538  183.033   3.4445 4.167419 5.168780 
1 1 1    1   32  -17 o  192.326   1.5899 10699.43  174.851 10736.15  231.784 10650.93  266.359  192.724   2.0824  191.927   2.4030 0.7972717 3.179708 
1 1 1    1   33  -17 o   57.845   4.8120  976.610  156.998  974.374  201.403  980.073  250.646   57.831   6.0300   57.860   7.5006 -0.2927017E-01 9.623958 
1 1 1    1   34  -17 o  107.752   3.0492  3361.45  169.681  3388.72  323.265  3351.08  199.351  107.930   5.1860  107.573   3.2087 0.3575211 6.098374 
1 1 1    1   35  -17 o  103.798   3.5995  3123.86  215.780  3123.86  215.780   0.0000   0.0000  103.798   3.5995  ?   ?       ?      ? 
1 1 1    1   36  -17 o  126.271   2.7335  4657.92  193.693  4754.79  247.766  4505.68  310.615  128.055   3.3501  124.487   4.3203 3.568588 5.467024 
1 1 1    1   37  -17 o  112.366   3.1345  3676.23  203.237  3650.66  281.103  3704.25  294.184  111.975   4.3467  112.757   4.5174 -0.7818832 6.269035 
1 1 1    1   38  -17 o   96.061   3.4895  2705.92  190.053  2664.20  297.282  2734.76  247.158   95.312   5.4005   96.811   4.4204 -1.499550 6.978969 
1 1 1    1   39  -17 o  192.547   2.0885 10824.62  221.746 10963.25  276.317 10573.81  371.656  194.457   2.4604  190.637   3.3756 3.820160 4.177066 
1 1 1    1   40  -17 o  105.715   2.2635  3252.54  138.125  3310.34  199.309  3199.13  191.596  106.609   3.2370  104.822   3.1648 1.786316 4.527084 
1 1 1    1   41  -17 o   90.595   3.8588  2406.69  201.902  2406.69  201.902   0.0000   0.0000   90.595   3.8588  ?   ?       ?      ? 
1 1 1    1   42  -17 o   90.653   4.0896  2424.92  214.114   0.0000   0.0000  2424.92  214.114  ?   ?    90.653   4.0896      ?      ? 
1 1 1    1   43  -17 f  153.209   2.3105  6952.75  192.283  7075.45  236.257  6712.01  330.930  155.680   2.6276  150.738   3.8013 4.941605 4.621058 
1 1 1    1   44  -17 o   76.508   4.0067  1869.66  157.433  1989.36  188.646  1595.03  285.753   81.804   3.9929   71.213   6.9478 10.59141 8.013428 
1 1 1    1   45  -17 o   77.077   3.9439  1798.12  166.555  1740.28  204.347  1912.59  287.470   75.957   4.6582   78.196   6.3654 -2.238609 7.887741 
1 1 1    1   46  -17 o   37.981   7.8926  558.102  184.642  573.851  250.568  539.388  273.136   38.921   10.778   37.041   11.533 1.880241 15.78526 
1 1 1    1   47  -17 o   99.954   2.7586  2997.58  159.223  3049.19  227.660  2948.17  222.770  100.786   3.9111   99.122   3.8914 1.664474 5.517191 
1 1 1    1   48  -17 o   84.189   3.8094  2268.44  171.656  2359.34  210.524  2088.14  296.506   88.147   4.1353   80.231   6.3989 7.916092 7.618834 
1 1 1    1    0  -18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1  -18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2  -18 f   97.545   3.0661  2780.14  170.481  2507.37  254.691  3001.56  229.470   93.157   4.7339  101.933   3.8978 -8.776634 6.132099 
1 1 1    1    3  -18 o  402.505   2.8077 46682.88  651.181 48470.51  960.635 45163.14  885.735  409.612   4.0607  395.398   3.8787 14.21472 5.615464 
1 1 1    1    4  -18 f  101.779   2.4152  2972.00  136.717  2918.90  170.874  3066.48  227.915  100.527   2.9431  103.030   3.8302 -2.502090 4.830383 
1 1 1    1    5  -18 o  654.471   3.0463 123740.10  1150.92 124060.50  1653.94 123439.30  1602.57  655.288   4.3702  653.654   4.2451 1.633606 6.092562 
1 1 1    1    6  -18 o   61.386   2.6257  1085.42   92.562  932.885  127.342  1256.28  134.779   56.826   3.8801   65.947   3.5387 -9.120544 5.251410 
1 1 1    1    7  -18 o  402.391   1.7213 46708.83  381.387 46578.84  472.427 46952.07  646.252  401.598   2.0368  403.184   2.7753 -1.585693 3.442552 
1 1 1    1    8  -18 f  356.516   1.4014 36704.29  284.162 36731.17  442.149 36685.38  370.904  356.624   2.1467  356.409   1.8019 0.2151794 2.802708 
1 1 1    1    9  -18 o  365.362   1.8784 38562.21  395.913 38435.54  573.461 38677.58  547.268  364.786   2.7220  365.937   2.5895 -1.150787 3.756898 
1 1 1    1   10  -18 o  221.360   1.3492 14156.80  169.244 14178.48  219.203 14124.80  266.309  221.572   1.7130  221.147   2.0851 0.4250488 2.698460 
1 1 1    1   11  -18 o  635.856   3.5259 116936.10  1266.08 117227.50  1629.13 116491.60  2011.83  636.917   4.4288  634.795   5.4875 2.122742 7.051735 
1 1 1    1   12  -18 o  336.806   2.5420 32774.02  494.471 32879.30  701.564 32670.10  697.033  337.344   3.6009  336.269   3.5891 1.074432 5.084069 
1 1 1    1   13  -18 o  347.855   2.1499 34880.53  407.704 35185.29  705.992 34728.04  499.394  348.970   3.5029  346.740   2.4938 2.229523 4.299894 
1 1 1    1   14  -18 o   86.540   2.0521  2162.65  101.377  2169.36  155.795  2157.71  133.508   86.654   3.1130   86.426   2.6747 0.2278214 4.104260 
1 1 1    1   15  -18 o   83.967   2.4570  2041.42  115.859  2019.34  186.619  2055.26  147.790   83.590   3.8656   84.343   3.0340 -0.7530670 4.914033 
1 1 1    1   16  -18 o  126.071   1.7118  4601.25  122.961  4529.54  189.359  4653.54  161.689  125.216   2.6184  126.926   2.2057 -1.709763 3.423609 
1 1 1    1   17  -18 o  270.927   1.4016 21185.60  213.700 21273.60  343.583 21130.07  272.911  271.378   2.1922  270.476   1.7471 0.9013367 2.803172 
1 1 1    1   18  -18 o  289.338   1.4417 24183.11  234.666 24179.66  377.281 24185.28  299.692  289.311   2.2580  289.365   1.7933 -0.5380249E-01 2.883425 
1 1 1    1   19  -18 o  234.521   1.9170 15936.80  240.508 16011.28  290.227 15773.53  429.703  235.425   2.1345  233.616   3.1848 1.808960 3.833934 
1 1 1    1   20  -18 o   71.452   3.8722  1477.56  159.739  1513.17  229.612  1444.16  222.372   72.285   5.5000   70.619   5.4522 1.665611 7.744454 
1 1 1    1   21  -18 o  244.943   1.3481 17360.80  186.723 17474.46  241.138 17190.58  295.089  245.956   1.6975  243.931   2.0946 2.025528 2.696114 
1 1 1    1   22  -18 o  121.867   1.5420  4290.96  108.522  4275.30  152.375  4307.08  154.596  121.642   2.1689  122.092   2.1924 -0.4505463 3.083984 
1 1 1    1   23  -18 o  417.557   2.1071 50418.27  507.901 50730.30  708.651 50088.70  728.313  418.894   2.9292  416.220   3.0298 2.674225 4.214197 
1 1 1    1   24  -18 o  120.075   1.7790  4257.06  106.304  3990.69  210.643  4348.08  123.135  117.471   3.1048  122.679   1.7379 -5.208572 3.558082 
1 1 1    1   25  -18 o  192.448   1.4870 10745.70  148.863 10802.01  176.016 10604.24  278.977  193.368   1.5761  191.528   2.5220 1.840149 2.974009 
1 1 1    1   26  -18 f  168.140   1.4576  8196.25  135.127  8081.90  227.194  8258.85  168.089  167.211   2.3526  169.070   1.7214 -1.859482 2.915134 
1 1 1    1   27  -18 o  191.218   1.3348 10591.72  146.209 10354.73  220.026 10779.11  195.656  189.289   2.0126  193.147   1.7540 -3.857834 2.669650 
1 1 1    1   28  -18 o   21.409   5.8290   60.100  102.996  170.428  166.340  -8.5013  131.166   25.666   9.0360   17.152   7.3661 8.514238 11.65801 
1 1 1    1   29  -18 o  180.128   1.6981  9340.68  169.017  9245.76  209.866  9515.88  285.121  178.861   2.0316  181.395   2.7216 -2.534637 3.396225 
1 1 1    1   30  -18 o  168.661   2.1432  8164.68  196.646  8038.28  239.741  8424.58  343.778  166.734   2.4896  170.587   3.4894 -3.853409 4.286478 
1 1 1    1   31  -18 o  129.829   1.8748  4883.65  138.123  4828.16  215.843  4922.13  179.745  129.184   2.8930  130.474   2.3853 -1.289841 3.749538 
1 1 1    1   32  -18 o  158.180   2.6161  7260.18  235.492  7185.07  364.676  7313.91  308.420  157.431   4.0108  158.929   3.3601 -1.497375 5.232296 
1 1 1    1   33  -18 o  105.713   2.9583  3387.32  142.881  3486.95  160.465  3005.99  313.928  109.792   2.5306  101.634   5.3482 8.157181 5.916655 
1 1 1    1   34  -18 o  110.966   3.0819  3671.50  174.521  3370.92  330.581  3787.64  205.490  107.576   5.3208  114.357   3.1113 -6.781067 6.163729 
1 1 1    1   35  -18 o  197.376   1.7865 11282.18  202.034 11221.18  305.158 11329.78  269.578  196.872   2.6838  197.880   2.3588 -1.008118 3.573099 
1 1 1    1   36  -18 o  187.847   2.1330 10263.10  218.253 10333.01  267.918 10125.20  376.309  188.922   2.4555  186.771   3.4886 2.150818 4.266085 
1 1 1    1   37  -18 o  102.008   3.3246  3021.89  195.869   0.0000   0.0000  3021.89  195.869  ?   ?   102.008   3.3246      ?      ? 
1 1 1    1   38  -18 o   58.526   6.0051  1106.76  173.420  1193.38  207.631  906.908  315.369   63.649   5.6482   53.402   10.599 10.24710 12.01024 
1 1 1    1   39  -18 o   70.913   4.2515  1502.33  155.482  1471.37  293.576  1514.40  183.299   69.954   7.2664   71.873   4.4158 -1.918228 8.502979 
1 1 1    1   40  -18 o   95.260   2.9560  2622.71  158.314  2489.11  199.869  2847.67  259.357   92.211   3.7530   98.309   4.5679 -6.097885 5.911935 
1 1 1    1   41  -18 o   67.294   5.9277  1434.96  226.913  1201.70  326.652  1652.48  315.447   61.397   9.2120   73.192   7.4624 -11.79493 11.85535 
1 1 1    1   42  -18 o   48.372   7.7441  800.602  209.711  970.204  325.824  680.650  274.013   52.687   11.060   44.056   10.842 8.631046 15.48812 
1 1 1    1   43  -18 o   65.194   5.8209  1377.70  217.805  1412.15  295.402  1336.66  322.411   66.536   7.6873   63.852   8.7429 2.684341 11.64181 
1 1 1    1   44  -18 o   35.122   7.0127  462.573  156.100  568.630  199.281  294.165  251.117   40.840   8.7143   29.404   10.990 11.43559 14.02531 
1 1 1    1   45  -18 o   70.597   4.8250  1573.30  195.434  1348.68  265.207  1840.24  289.108   64.877   7.0780   76.318   6.5592 -11.44060 9.649909 
1 1 1    1   46  -18 o   62.416   4.8623  1208.39  163.266  1127.48  195.727  1393.45  296.024   60.183   5.6311   64.649   7.9283 -4.465794 9.724536 
1 1 1    1   47  -18 o   32.420   6.6143  399.594  151.197  144.369  222.319  619.227  206.236   23.411   9.8001   41.429   8.8858 -18.01793 13.22868 
1 1 1    1    0  -19 o  151.827   2.3289  6654.38  198.724  6611.54  253.458  6722.73  320.164  151.219   2.9045  152.434   3.6414 -0.000000 0.000000 
1 1 1    1    1  -19 o  175.812   2.2738  8927.25  230.882   0.0000   0.0000  8927.25  230.882  ?   ?   175.812   2.2738      ?      ? 
1 1 1    1    2  -19 o  469.883   2.2164 63782.52  601.430 64556.26  848.638 63001.76  852.477  472.747   3.1082  467.019   3.1606 5.728760 4.432826 
1 1 1    1    3  -19 o  140.919   1.7928  5736.44  145.886  5669.35  207.401  5802.15  205.245  140.102   2.5632  141.734   2.5073 -1.631973 3.585608 
1 1 1    1    4  -19 o  351.084   2.5509 35601.21  517.230   0.0000   0.0000 35601.21  517.230  ?   ?   351.084   2.5509      ?      ? 
1 1 1    1    5  -19 o   29.069   7.2841  146.983  148.105  374.044  271.818   51.108  176.627   36.280   11.534   21.858   8.8993 14.42184 14.56823 
1 1 1    1    6  -19 o   80.598   3.5523  1916.50  143.245  1799.15  281.685  1957.43  166.362   78.882   6.1830   82.314   3.4994 -3.432213 7.104592 
1 1 1    1    7  -19 o  105.718   2.3215  3228.42  139.453  3227.52  181.618  3229.71  217.677  105.704   2.9750  105.732   3.5647 -0.2866364E-01 4.642996 
1 1 1    1    8  -19 o  334.032   2.0039 32012.87  340.947 31772.70  396.775 32690.77  666.586  331.677   2.0713  336.388   3.4311 -4.711334 4.007816 
1 1 1    1    9  -19 o  267.276   2.0337 20549.76  249.010 20776.78  564.641 20494.94  277.448  268.162   3.6458  266.390   1.8033 1.772308 4.067392 
1 1 1    1   10  -19 o  135.014   1.5259  5263.96  118.004  5256.92  157.088  5273.08  178.774  134.912   2.0161  135.116   2.2909 -0.2037048 3.051711 
1 1 1    1   11  -19 o  169.183   1.3820  8270.65  133.133  8289.18  174.357  8244.75  206.172  169.413   1.7820  168.953   2.1129 0.4596252 2.764029 
1 1 1    1   12  -19 o  200.676   1.3878 11625.34  156.335 11656.66  252.960 11605.99  198.860  200.890   2.1803  200.462   1.7176 0.4280853 2.775569 
1 1 1    1   13  -19 o  140.682   1.6555  5716.88  133.043  5717.17  203.762  5716.67  175.653  140.682   2.5078  140.682   2.1619 -0.9155273E-04 3.311038 
1 1 1    1   14  -19 o  373.765   1.7637 40451.79  365.016 40019.95  608.495 40694.53  456.212  372.183   2.8308  375.347   2.1045 -3.163757 3.527398 
1 1 1    1   15  -19 o  148.603   1.7309  6388.39  146.746  6320.83  225.199  6438.24  193.458  147.914   2.6362  149.291   2.2437 -1.376862 3.461737 
1 1 1    1   16  -19 o  463.514   2.6718 62138.97  701.182 62274.85  906.759 61936.87  1105.86  464.192   3.3823  462.835   4.1370 1.356964 5.343670 
1 1 1    1   17  -19 f   43.037   4.1421  503.722   99.741  400.158  124.126  692.458  167.565   37.175   5.7813   48.899   5.9333 -11.72405 8.284216 
1 1 1    1   18  -19 o  226.326   2.1173 14797.92  276.757   0.0000   0.0000 14797.92  276.757  ?   ?   226.326   2.1173      ?      ? 
1 1 1    1   19  -19 o  222.165   1.8129 14300.42  190.011 14196.89  412.272 14328.34  214.107  221.611   3.2211  222.720   1.6645 -1.109253 3.625769 
1 1 1    1   20  -19 o   51.417   4.0736  779.984  115.792  716.578  189.704  817.634  146.183   49.691   6.6101   53.143   4.7628 -3.451336 8.147294 
1 1 1    1   21  -19 o   57.723   2.5123  974.475   81.534  1014.83  105.232  913.864  128.968   59.246   3.0754   56.199   3.9734 3.046848 5.024575 
1 1 1    1   22  -19 o  115.195   2.1754  3737.30  110.448  3684.43  121.332  3992.98  266.818  112.928   1.8603  117.462   3.9331 -4.533958 4.350851 
1 1 1    1   23  -19 o  201.713   1.2934 11750.01  148.157 11786.96  231.876 11724.51  192.600  201.971   1.9878  201.454   1.6554 0.5166779 2.586839 
1 1 1    1   24  -19 o   48.394   2.9636  668.789   80.983  722.400  130.997  635.625  103.030   49.929   4.5428   46.858   3.8071 3.070213 5.927152 
1 1 1    1   25  -19 o  153.050   1.2741  6768.36  112.605  6773.36  157.814  6763.16  160.723  153.108   1.7847  152.991   1.8190 0.1170959 2.548281 
1 1 1    1   26  -19 o   92.945   2.4214  2497.41  129.982   0.0000   0.0000  2497.41  129.982  ?   ?    92.945   2.4214      ?      ? 
1 1 1    1   27  -19 o   73.050   3.0738  1581.24  117.611  1632.21  140.749  1463.32  214.099   75.104   3.2449   70.996   5.2215 4.107491 6.147601 
1 1 1    1   28  -19 o  242.828   1.4469 17051.23  202.528 16881.88  294.871 17202.47  278.653  241.679   2.1126  243.977   1.9776 -2.297470 2.893723 
1 1 1    1   29  -19 o  127.942   2.5897  4754.18  189.144  4644.84  288.610  4836.49  250.417  126.620   3.9466  129.264   3.3543 -2.644081 5.179479 
1 1 1    1   30  -19 o   58.743   3.2940  995.289  107.314  1022.78  179.853  980.092  133.728   59.331   5.2487   58.155   3.9815 1.175926 6.587935 
1 1 1    1   31  -19 o   94.960   3.2552  2553.61  158.545  2481.96  184.411  2756.66  310.429   92.575   3.4491   97.345   5.5216 -4.769775 6.510329 
1 1 1    1   32  -19 o  132.260   2.4612  4865.28  137.547  5370.32  352.856  4774.79  149.362  136.002   4.4923  128.518   2.0123 7.484039 4.922406 
1 1 1    1   33  -19 o  113.372   2.6790  3756.73  160.857  3654.99  291.169  3801.43  192.980  112.158   4.4950  114.586   2.9160 -2.428284 5.358011 
1 1 1    1   34  -19 o   85.404   2.8373  2123.30  139.525  2200.98  192.291  2036.93  202.760   87.080   3.8235   83.728   4.1930 3.351479 5.674518 
1 1 1    1   35  -19 o  153.225   2.1986  6777.48  189.394  6680.75  240.812  6934.33  306.653  151.865   2.7456  154.585   3.4347 -2.719635 4.397241 
1 1 1    1   36  -19 o  113.361   2.0722  3745.21  130.410  3795.16  163.888  3658.99  215.322  114.465   2.4791  112.257   3.3212 2.208344 4.144382 
1 1 1    1   37  -19 o   66.101   5.2491  1332.54  164.283  1251.57  346.917  1355.94  186.522   64.143   9.3646   68.059   4.7453 -3.915871 10.49829 
1 1 1    1   38  -19 o  119.450   3.1683  4163.13  218.048  4480.80  322.091  3894.38  296.258  123.625   4.5111  115.275   4.4499 8.349846 6.336545 
1 1 1    1   39  -19 o   52.982   5.8719  836.666  179.677   0.0000   0.0000  836.666  179.677  ?   ?    52.982   5.8719      ?      ? 
1 1 1    1   40  -19 o   87.467   3.3192  2219.60  162.430  2451.76  270.312  2088.40  203.208   90.746   5.1577   84.188   4.1793 6.557831 6.638397 
1 1 1    1   41  -19 o   32.091   7.2858  342.579  148.109  354.205  255.328  336.683  181.826   32.440   11.208   31.741   9.3118 0.6988869 14.57169 
1 1 1    1   42  -19 o  117.644   2.9541  4115.70  200.706  4097.08  284.936  4134.03  282.759  117.359   4.2038  117.929   4.1515 -0.5706177 5.908267 
1 1 1    1   43  -19 o  155.615   2.3162  7026.27  193.907  7448.94  347.840  6835.69  233.565  158.408   3.8021  152.823   2.6463 5.584259 4.632318 
1 1 1    1   44  -19 o   61.179   5.0042  1103.77  165.603  1477.70  305.384  948.011  197.100   67.260   7.8615   55.098   6.1939 12.16221 10.00839 
1 1 1    1   45  -19 o   91.817   3.3367  2557.80  171.625  2582.47  278.620  2542.71  217.866   91.609   5.2661   92.025   4.0992 -0.4154205 6.673444 
1 1 1    1   46  -19 o   68.911   5.1779  1470.61  206.077   0.0000   0.0000  1470.61  206.077  ?   ?    68.911   5.1779      ?      ? 
1 1 1    1   47  -19 o   18.498   8.6445 -84.6596  228.927   0.0000   0.0000 -84.6596  228.927  ?   ?    18.498   8.6445      ?      ? 
1 1 1    1    0  -20 o  142.015   2.5686  5846.32  209.343  5735.97  310.128  5938.69  283.739  140.763   3.8211  143.267   3.4336 -0.000000 0.000000 
1 1 1    1    1  -20 f  414.291   1.7342 49542.17  394.771 49681.90  671.554 49468.38  487.990  414.723   2.8037  413.859   2.0416 0.8636169 3.468307 
1 1 1    1    2  -20 o  165.063   1.3503  7873.60  128.619  8007.77  179.253  7731.21  184.658  166.514   1.8639  163.612   1.9542 2.901642 2.700584 
1 1 1    1    3  -20 o  480.308   2.0023 66629.65  522.460 66611.07  638.378 66667.34  909.223  480.232   2.3017  480.384   3.2771 -0.1523743 4.004666 
1 1 1    1    4  -20 o   99.130   2.1080  2841.03  120.521  2788.15  174.158  2889.64  166.954   98.242   3.0694  100.017   2.8903 -1.774200 4.216063 
1 1 1    1    5  -20 o  580.783   2.2245 97436.71  746.103 98162.62  1062.18 96729.73  1048.25  582.917   3.1551  578.648   3.1366 4.268677 4.448927 
1 1 1    1    6  -20 o   78.487   2.5498  1776.27  115.141  1819.54  171.351  1740.64  155.472   79.355   3.7388   77.619   3.4682 1.736389 5.099661 
1 1 1    1    7  -20 o  507.817   2.5363 74403.02  740.860 75674.34  1102.52 73356.35  1000.38  511.754   3.7303  503.879   3.4376 7.875092 5.072661 
1 1 1    1    8  -20 o  233.264   2.2005 15716.34  296.458 15716.34  296.458   0.0000   0.0000  233.264   2.2005  ?   ?       ?      ? 
1 1 1    1    9  -20 o  390.681   2.4496 44045.44  515.941 44260.47  912.125 43944.27  625.651  391.339   4.0357  390.022   2.7775 1.316528 4.899112 
1 1 1    1   10  -20 o  119.304   2.1628  4068.17  143.199  4269.49  240.860  3958.10  178.091  121.555   3.4309  117.054   2.6343 4.501427 4.325597 
1 1 1    1   11  -20 o  668.571   3.9631 128889.40  1410.46 130400.50  2556.33 128228.00  1691.19  671.146   6.5950  665.996   4.3968 5.149902 7.926273 
1 1 1    1   12  -20 o   85.464   2.9585  2132.33  140.640  2032.23  229.691  2192.37  177.885   83.831   4.7441   87.098   3.5363 -3.267616 5.917085 
1 1 1    1   13  -20 o  248.163   1.5303 17804.18  218.746 17583.33  320.246 17997.33  299.501  246.717   2.2475  249.610   2.0775 -2.893784 3.060630 
1 1 1    1   14  -20 o  193.810   2.2194 10858.11  245.931 10832.36  375.114 10877.52  325.696  193.598   3.3549  194.022   2.9065 -0.4234314 4.438821 
1 1 1    1   15  -20 f  381.756   1.8158 42109.25  387.575 42100.97  633.125 42114.21  490.148  381.700   2.8720  381.811   2.2228 -0.1116028 3.631661 
1 1 1    1   16  -20 o   41.784   4.4620  516.105  104.046  431.533  146.732  601.631  147.558   37.987   6.9440   45.580   5.6054 -7.592648 8.924074 
1 1 1    1   17  -20 o  166.439   1.3814  8002.93  129.811  8000.69  206.580  8004.39  166.873  166.413   2.1494  166.464   1.7357 -0.5169678E-01 2.762719 
1 1 1    1   18  -20 o  176.220   1.4027  9001.34  139.313  8831.33  221.735  9112.22  179.070  174.832   2.1960  177.608   1.7457 -2.776001 2.805337 
1 1 1    1   19  -20 o  131.891   1.3719  4980.71  102.541  4804.18  131.741  5252.03  163.326  128.958   1.7688  134.825   2.0975 -5.866486 2.743766 
1 1 1    1   20  -20 o  123.182   1.7159  4386.01  121.900  4370.04  176.977  4400.43  168.146  122.965   2.4920  123.398   2.3594 -0.4322128 3.431717 
1 1 1    1   21  -20 o  195.531   1.3835 11047.75  152.071 11042.48  244.946 11051.05  193.982  195.480   2.1696  195.582   1.7173 -0.1014099 2.767009 
1 1 1    1   22  -20 o  242.030   1.4288 16924.51  195.144 16915.11  250.558 16939.01  311.122  241.962   1.7930  242.098   2.2251 -0.1366577 2.857613 
1 1 1    1   23  -20 o  384.415   1.8153 42683.99  394.516 42910.54  626.340 42535.00  507.942  385.215   2.8153  383.615   2.2926 1.599823 3.630693 
1 1 1    1   24  -20 o  143.055   1.4038  5925.06  113.330  5966.87  145.807  5861.25  180.125  143.705   1.7568  142.405   2.1901 1.300003 2.807640 
1 1 1    1   25  -20 o  128.708   1.7050  4787.99  126.725  4710.24  177.607  4868.63  180.871  127.644   2.4092  129.773   2.4132 -2.128143 3.409985 
1 1 1    1   26  -20 o   83.697   2.3294  2028.46  112.466  1998.99  162.378  2055.63  155.920   83.107   3.3830   84.286   3.2030 -1.179092 4.658761 
1 1 1    1   27  -20 o   20.580   5.3901   95.434   85.110   81.525  117.593  110.736  123.341   19.768   7.4917   21.392   7.7516 -1.624502 10.78018 
1 1 1    1   28  -20 o   76.193   3.4868  1683.20  138.537  1680.76  163.839  1689.32  259.499   76.180   3.7238   76.207   5.8960 -0.2658081E-01 6.973506 
1 1 1    1   29  -20 o  261.664   2.2349 19671.43  299.695 19504.57  349.950 20130.48  580.441  259.732   2.3329  263.597   3.8127 -3.865204 4.469800 
1 1 1    1   30  -20 o   36.367   5.4010  382.465  106.340  330.625  131.775  479.258  180.062   33.013   7.1206   39.722   8.1229 -6.708118 10.80207 
1 1 1    1   31  -20 o  196.407   1.6448 11111.22  174.146 11032.17  210.921 11280.53  308.669  195.365   1.8693  197.449   2.7068 -2.084274 3.289537 
1 1 1    1   32  -20 o   30.252   7.0110  258.371  115.464  269.663  124.733  190.751  305.224   29.736   7.3136   30.768   11.964 -1.032194 14.02200 
1 1 1    1   33  -20 o  198.705   2.1699 11468.32  224.596 11372.30  420.312 11506.69  265.711  197.979   3.6759  199.431   2.3069 -1.451996 4.339860 
1 1 1    1   34  -20 o  142.096   2.8062  5857.92  229.792  5718.28  313.245  6020.63  338.131  140.290   3.8661  143.903   4.0684 -3.613861 5.612396 
1 1 1    1   35  -20 o   12.283   6.1938 -648.7454  205.123 -648.7454  205.123   0.0000   0.0000   12.283   6.1938  ?   ?       ?      ? 
1 1 1    1   36  -20 o  105.980   3.6093  3268.70  220.921  3268.70  220.921   0.0000   0.0000  105.980   3.6093  ?   ?       ?      ? 
1 1 1    1   37  -20 o   51.274   4.7316  798.412  137.329  663.113  202.277  914.097  187.042   46.973   7.4561   55.576   5.8273 -8.602375 9.463132 
1 1 1    1   38  -20 o   64.132   3.7382  1220.13  137.976  1184.22  201.892  1251.60  188.999   63.169   5.5339   65.095   5.0272 -1.925797 7.476432 
1 1 1    1   39  -20 o   78.058   4.0630  1885.02  168.036  1994.76  204.850  1659.29  293.799   82.257   4.3120   73.858   6.8876 8.398926 8.125968 
1 1 1    1   40  -20 o   49.222   6.9959  840.660  189.866  643.194  297.013  977.114  246.900   42.496   11.721   55.948   7.6410 -13.45171 13.99184 
1 1 1    1   41  -20 o   69.322   4.9085  1502.43  193.942  1467.15  296.340  1528.85  256.503   68.158   7.5282   70.486   6.3009 -2.328331 9.817080 
1 1 1    1   42  -20 o  124.254   3.1605  4627.69  226.744  4523.94  321.366  4730.54  319.969  122.805   4.5311  125.704   4.4073 -2.899460 6.320983 
1 1 1    1   43  -20 f   36.826   7.6458  518.467  195.536  754.616  262.478  223.982  293.111   45.836   10.180   27.816   11.410 18.01913 15.29165 
1 1 1    1   44  -20 f  122.225   2.3616  4425.40  166.643  4467.77  233.170  4381.16  238.249  122.872   3.2857  121.578   3.3931 1.294334 4.723234 
1 1 1    1   45  -20 o  109.110   3.0844  3530.59  182.605  3838.68  323.324  3386.29  221.274  111.707   5.0116  106.513   3.5970 5.194130 6.168824 
1 1 1    1   46  -20 o   19.108   6.3835 -118.1470  181.788  -7.4874  211.639 -429.5295  355.016   19.389   8.7817   18.828   9.2671 0.5613632 12.76704 
1 1 1    1    0  -21 o  560.276   2.6404 90692.37  854.095 90618.61  1220.92 90763.05  1195.24  560.050   3.7750  560.502   3.6926 -0.000000 0.000000 
1 1 1    1    1  -21 o   42.452   3.7626  536.992   89.058  600.646  116.429  447.228  138.262   45.585   4.4223   39.319   6.0886 6.266895 7.525162 
1 1 1    1    2  -21 o  122.031   1.7289  4274.43  120.128  4147.30  156.179  4458.60  187.978  119.826   2.2568  124.236   2.6198 -4.410370 3.457822 
1 1 1    1    3  -21 o  107.099   1.9385  3333.02  117.429  3213.62  184.120  3414.89  152.462  105.468   3.0227  108.729   2.4279 -3.261360 3.877032 
1 1 1    1    4  -21 o  137.630   2.2615  5516.32  148.175  5395.96  316.347  5550.15  167.709  136.640   4.0087  138.620   2.0948 -1.979767 4.523008 
1 1 1    1    5  -21 o  152.179   1.8321  6573.43  123.712  6872.80  294.834  6509.46  136.290  154.228   3.3100  150.130   1.5719 4.098633 3.664260 
1 1 1    1    6  -21 o  169.260   1.3362  8289.19  125.180  8326.00  156.314  8223.37  209.018  169.789   1.5941  168.730   2.1449 1.059189 2.672370 
1 1 1    1    7  -21 o  157.002   1.6696  7029.28  126.056  6957.35  142.661  7285.43  269.218  155.208   1.5915  158.797   2.9355 -3.589630 3.339130 
1 1 1    1    8  -21 o  208.778   1.4689 12590.70  177.088 12868.56  250.956 12315.12  249.927  211.073   2.0586  206.483   2.0958 4.589706 2.937733 
1 1 1    1    9  -21 o  225.721   1.3457 14689.38  170.386 14829.11  276.697 14604.04  216.249  226.578   2.1145  224.864   1.6651 1.713837 2.691403 
1 1 1    1   10  -21 o  358.429   1.8690 37118.86  386.873 37420.94  545.769 36813.77  548.482  359.896   2.6257  356.962   2.6604 2.933929 3.737959 
1 1 1    1   11  -21 o  208.746   1.7335 12577.26  186.547 12563.26  218.975 12614.29  356.221  208.555   1.8180  208.937   2.9520 -0.3818207 3.466903 
1 1 1    1   12  -21 o  519.132   2.8355 78031.75  757.806 78164.81  889.459 77679.38  1447.39  520.089   2.9612  518.174   4.8364 1.915649 5.670949 
1 1 1    1   13  -21 o   65.927   4.8033  1284.29  179.044  1107.11  270.362  1422.69  238.950   61.767   7.5789   70.086   5.9032 -8.319118 9.606634 
1 1 1    1   14  -21 o   77.619   2.5545  1738.46  114.358  1804.60  167.150  1680.26  156.800   79.003   3.6634   76.235   3.5613 2.767715 5.109087 
1 1 1    1   15  -21 o  231.851   2.2073 15549.89  295.009 15336.94  429.062 15740.82  406.281  230.337   3.2253  233.365   3.0144 -3.028656 4.414680 
1 1 1    1   16  -21 o  230.272   1.9806 15278.42  243.630 15449.03  438.782 15202.37  292.934  231.161   3.2866  229.383   2.2112 1.777878 3.961210 
1 1 1    1   17  -21 o   26.757   6.0986  201.150  107.529  232.002  155.360  172.780  148.980   28.228   8.6831   25.286   8.5660 2.941639 12.19726 
1 1 1    1   18  -21 o  356.989   2.2354 36820.85  386.081 36904.33  810.700 36796.36  439.067  357.121   3.9306  356.857   2.1304 0.2645264 4.470799 
1 1 1    1   19  -21 o   61.982   3.5675  1128.96  125.322  1211.10  165.948  1019.95  191.184   64.668   4.4432   59.296   5.5826 5.371521 7.134964 
1 1 1    1   20  -21 o  253.098   1.6528 18525.55  241.253 18290.87  349.460 18739.24  333.470  251.559   2.4053  254.637   2.2675 -3.077652 3.305621 
1 1 1    1   21  -21 o   58.630   4.6686  1008.32  152.067  968.745  249.446  1031.72  191.835   57.645   7.4926   59.615   5.5716 -1.970623 9.337136 
1 1 1    1   22  -21 o   54.463   3.0929  847.229   96.584  749.222  127.868  977.432  147.381   50.849   4.3540   58.078   4.3939 -7.228382 6.185768 
1 1 1    1   23  -21 o   59.750   2.4780  1028.74   85.185  1164.64  124.701  909.836  116.643   63.437   3.4036   56.062   3.6025 7.374752 4.956042 
1 1 1    1   24  -21 o  114.144   1.7150  3772.45  112.378  3711.87  167.693  3821.84  151.405  113.303   2.5626  114.985   2.2799 -1.681419 3.430025 
1 1 1    1   25  -21 o  157.391   1.7877  7079.49  145.983  7351.37  278.210  6976.19  171.488  159.410   3.0218  155.373   1.9111 4.036911 3.575431 
1 1 1    1   26  -21 o  155.237   1.2278  6959.04  109.794  6906.25  149.723  7020.45  161.488  154.603   1.6768  155.870   1.7939 -1.266602 2.455543 
1 1 1    1   27  -21 o   73.607   2.5494  1510.92  102.569  1746.58  181.803  1400.89  124.228   77.634   4.0547   69.579   3.0914 8.054932 5.098769 
1 1 1    1   28  -21 o  167.344   1.6616  8086.64  160.135  7965.74  217.626  8229.40  236.475  165.989   2.2701  168.700   2.4271 -2.710449 3.323277 
1 1 1    1   29  -21 o   92.958   2.8280  2414.02  120.773  2657.95  278.261  2357.40  134.059   95.637   5.0378   90.278   2.5711 5.359467 5.655963 
1 1 1    1   30  -21 o  145.385   1.6078  6115.69  134.769  6052.25  195.817  6172.78  185.766  144.661   2.3438  146.108   2.2014 -1.446350 3.215513 
1 1 1    1   31  -21 o   84.648   3.8613  2022.29  178.197  1899.00  215.737  2287.01  316.130   80.826   4.6215   88.470   6.1871 -7.643509 7.722598 
1 1 1    1   32  -21 o  106.730   2.2486  3287.93  136.447  3375.98  213.859  3227.48  177.200  107.899   3.4318  105.561   2.9065 2.337677 4.497249 
1 1 1    1   33  -21 o  181.847   1.8027  9601.32  186.553  9734.82  244.749  9416.21  288.197  183.403   2.3106  180.291   2.7678 3.112625 3.605485 
1 1 1    1   34  -21 o   78.807   2.0648  1792.82   92.204  1842.59  146.098  1759.87  118.868   79.682   3.1747   77.932   2.6410 1.749802 4.129537 
1 1 1    1   35  -21 o  158.897   2.1988  7314.65  191.729  7391.91  327.490  7274.36  236.496  159.393   3.5575  158.401   2.5851 0.9924469 4.397571 
1 1 1    1   36  -21 o  171.089   2.0752  8447.55  193.587  8681.49  336.422  8331.74  236.702  172.677   3.3734  169.501   2.4179 3.176407 4.150433 
1 1 1    1   37  -21 o   27.048   5.7625  236.761  109.533  339.784  134.045   29.743  190.014   32.953   7.2409   21.144   8.9663 11.80912 11.52501 
1 1 1    1   38  -21 o   77.755   4.5334  1823.95  203.217  1809.38  278.773  1840.48  296.864   77.519   6.2267   77.991   6.5906 -0.4715652 9.066857 
1 1 1    1   39  -21 o   67.074   6.0024  1431.20  229.956  1469.12  306.931  1382.70  347.191   68.589   7.7482   65.560   9.1695 3.028961 12.00475 
1 1 1    1   40  -21 o   40.822   7.3324  565.767  165.391  528.637  201.394  642.679  289.855   39.635   9.0030   42.008   11.576 -2.373188 14.66486 
1 1 1    1   41  -21 o   67.118   4.8763  1485.75  164.814  1244.18  304.498  1585.84  196.008   61.586   8.5609   72.650   4.6715 -11.06401 9.752507 
1 1 1    1   42  -21 o   21.191   6.7155  -5.9402  165.051 -19.4746  272.378   1.9132  207.483   22.161   10.007   20.222   8.9588 1.939009 13.43097 
1 1 1    1   43  -21 o  103.749   3.5321  3273.53  210.484  3367.75  316.213  3198.58  282.046  104.829   5.2229  102.669   4.7566 2.160049 7.064264 
1 1 1    1   44  -21 o   24.182   6.7769  166.871  143.990  243.281  202.219   88.285  205.077   26.548   9.8736   21.815   9.2852 4.732697 13.55370 
1 1 1    1   45  -21 o   37.783   7.6473  554.103  174.078  730.765  277.033  438.838  223.773   42.391   11.162   33.175   10.457 9.215405 15.29463 
1 1 1    1    0  -22 o   12.159   5.5647 -76.2159  101.219 -229.7223  142.321   80.898  143.984   8.5767   6.1456   15.740   9.2787 -0.000000 0.000000 
1 1 1    1    1  -22 o  234.938   1.3452 15985.77  173.599 15802.43  294.474 16083.42  214.916  233.894   2.1799  235.981   1.5769 -2.086990 2.690488 
1 1 1    1    2  -22 o  183.677   1.6352  9826.01  156.129  9560.66  291.896  9932.35  184.784  181.912   2.7783  185.442   1.7253 -3.530121 3.270446 
1 1 1    1    3  -22 o  369.619   1.6290 39479.92  328.798 39419.00  565.984 39510.95  403.952  369.383   2.6530  369.855   1.8911 -0.4717407 3.258039 
1 1 1    1    4  -22 o  110.842   2.2409  3549.03  143.457   0.0000   0.0000  3549.03  143.457  ?   ?   110.842   2.2409      ?      ? 
1 1 1    1    5  -22 o  315.514   1.2907 28748.25  233.105 28792.51  354.128 28714.42  309.652  315.723   1.9421  315.304   1.7004 0.4190369 2.581311 
1 1 1    1    6  -22 o   39.987   5.5545  510.540  104.401  403.780  218.977  541.947  118.769   36.687   10.042   43.287   4.7507 -6.600208 11.10898 
1 1 1    1    7  -22 o  452.230   1.9000 59157.96  476.498 59337.61  596.242 58840.41  792.701  453.216   2.2779  451.246   3.0417 1.969940 3.800066 
1 1 1    1    8  -22 o   18.294   5.9835 -135.4528  118.650 -152.6808  133.648 -71.3564  257.787   13.708   6.4680   22.881   10.068 -9.173170 11.96696 
1 1 1    1    9  -22 f  305.316   1.3900 26929.68  244.923 26864.63  353.071 26990.00  340.042  304.959   2.0046  305.674   1.9261 -0.7145386 2.780034 
1 1 1    1   10  -22 o  213.442   1.2071 13145.81  148.482 13355.61  217.925 12964.04  202.854  215.029   1.7548  211.856   1.6579 3.172623 2.414106 
1 1 1    1   11  -22 o  351.997   1.6613 35669.40  331.599 35138.21  428.402 36463.30  523.734  348.756   2.1269  355.238   2.5527 -6.482452 3.322669 
1 1 1    1   12  -22 o   17.420   5.7396 -203.6049  133.180 -84.0217  225.183 -267.9366  165.163   20.901   9.2929   13.939   6.7391 6.962659 11.47929 
1 1 1    1   13  -22 o   96.949   2.5240  2662.07  125.676  2598.56  146.400  2840.00  245.023   94.825   2.6732   99.074   4.2822 -4.248581 5.048072 
1 1 1    1   14  -22 o   81.102   2.2178  1921.32  101.529  2003.81  132.021  1801.93  158.837   83.265   2.7453   78.939   3.4840 4.326447 4.435649 
1 1 1    1   15  -22 o  274.629   1.4644 21653.81  210.620 22116.18  393.658 21468.37  249.305  276.639   2.4639  272.618   1.5834 4.021423 2.928802 
1 1 1    1   16  -22 o  178.796   1.7758  9235.36  183.371  9235.36  183.371   0.0000   0.0000  178.796   1.7758  ?   ?       ?      ? 
1 1 1    1   17  -22 o  169.134   1.6633  8276.33  147.135  8288.60  174.437  8246.08  273.917  169.380   1.7832  168.887   2.8083 0.4929047 3.326557 
1 1 1    1   18  -22 o   38.614   6.5640  411.806  143.938  272.527  179.684  661.244  240.463   30.478   9.3320   46.750   9.2336 -16.27168 13.12804 
1 1 1    1   19  -22 o  169.858   1.9974  8412.64  175.052  8500.24  206.202  8186.61  331.229  171.506   2.0817  168.209   3.4095 3.296951 3.994807 
1 1 1    1   20  -22 o  373.394   2.8084 40368.46  603.968 40458.96  888.077 40290.58  823.816  373.745   4.1142  373.043   3.8237 0.7020569 5.616749 
1 1 1    1   21  -22 o  216.886   2.3230 13610.05  290.975 13436.67  409.670 13786.55  413.356  215.491   3.2917  218.281   3.2789 -2.789322 4.646090 
1 1 1    1   22  -22 o   66.738   3.6283  1348.21  123.881  1420.87  147.011  1170.26  230.077   70.056   3.6334   63.419   6.2815 6.637196 7.256682 
1 1 1    1   23  -22 o  257.164   1.4311 19063.92  209.859 18811.75  274.862 19416.38  324.959  255.146   1.8653  259.183   2.1709 -4.036545 2.862162 
1 1 1    1   24  -22 o  164.539   1.5047  7779.09  140.459  7588.69  181.279  8065.09  222.182  162.048   1.9370  167.031   2.3032 -4.983154 3.009381 
1 1 1    1   25  -22 o  247.212   2.0181 17757.64  277.532 17980.85  349.614 17377.32  456.358  249.380   2.4274  245.045   3.2246 4.335403 4.036119 
1 1 1    1   26  -22 o  157.581   2.4814  7181.11  222.349  7240.77  346.831  7139.48  289.717  158.099   3.7984  157.062   3.1939 1.037216 4.962739 
1 1 1    1   27  -22 o  237.369   1.2723 16303.78  171.744 16162.84  266.749 16403.57  224.455  236.476   1.9531  238.263   1.6311 -1.786758 2.544655 
1 1 1    1   28  -22 o  132.231   1.8298  5059.20  139.700  4966.46  198.579  5150.08  196.567  131.028   2.6241  133.435   2.5507 -2.406601 3.659518 
1 1 1    1   29  -22 o   84.076   2.9132  2046.15  141.457  2046.15  141.457   0.0000   0.0000   84.076   2.9132  ?   ?       ?      ? 
1 1 1    1   30  -22 o  135.020   2.2965  5276.66  169.704  5265.11  208.872  5299.08  291.095  134.875   2.6814  135.165   3.7289 -0.2905579 4.592916 
1 1 1    1   31  -22 o   60.922   3.5329  1090.39  117.601  1053.42  200.265  1109.85  145.290   60.036   5.7758   61.809   4.0700 -1.773457 7.065748 
1 1 1    1   32  -22 o  108.161   1.6657  3389.26  103.920  3459.30  144.320  3313.84  149.761  109.330   2.2856  106.992   2.4236 2.337837 3.331355 
1 1 1    1   33  -22 o   79.441   3.9206  1753.35  133.846  2000.56  337.863  1707.34  145.773   82.197   7.1170   76.684   3.2914 5.512939 7.841267 
1 1 1    1   34  -22 o   73.820   3.0894  1563.87  130.136  1422.05  168.898  1771.07  204.154   69.807   4.1893   77.832   4.5416 -8.025620 6.178737 
1 1 1    1   35  -22 o   67.184   4.2120  1376.92  139.138  1258.32  277.143  1416.88  160.882   64.726   7.4137   69.642   3.9999 -4.915314 8.423950 
1 1 1    1   36  -22 o   72.509   4.5673  1648.18  172.399  1768.73  208.566  1388.16  306.321   77.516   4.6587   67.502   7.8574 10.01467 9.134635 
1 1 1    1   37  -22 o   57.301   3.3502  974.730  108.109  955.780  172.113  987.079  138.939   56.680   5.2577   57.921   4.1534 -1.241161 6.700303 
1 1 1    1   38  -22 o  123.025   2.2831  4401.17  162.217  4401.17  162.217   0.0000   0.0000  123.025   2.2831  ?   ?       ?      ? 
1 1 1    1   39  -22 o   48.080   6.7330  748.660  171.746  702.026  207.134  851.252  307.226   47.176   7.6024   48.984   11.115 -1.807884 13.46596 
1 1 1    1   40  -22 o   77.737   3.9106  1816.23  166.429  1928.67  287.803  1759.74  203.996   78.889   6.3167   76.584   4.6121 2.305458 7.821286 
1 1 1    1   41  -22 o   22.199   7.3172 -149.1259  234.796 -340.5879  355.748  -1.3529  312.535   20.651   9.9614   23.746   10.721 -3.094324 14.63441 
1 1 1    1   42  -22 o   60.705   4.2159  1153.22  146.811  1025.48  209.818  1275.76  205.494   57.087   6.3639   64.324   5.5315 -7.236824 8.431849 
1 1 1    1   43  -22 o   31.794   7.5357  404.405  183.633  541.146  224.582  128.560  318.976   38.054   10.064   25.535   11.219 12.51876 15.07148 
1 1 1    1   44  -22 o   24.792   7.5033  155.435  180.779  123.197  219.523  223.364  318.660   22.803   9.6518   26.782   11.491 -3.979191 15.00665 
1 1 1    1    0  -23 o  527.596   2.5164 80431.67  766.524 80523.63  1095.36 80343.43  1073.04  527.888   3.5931  527.303   3.5238 -0.000000 0.000000 
1 1 1    1    1  -23 o   60.238   2.6997  1046.06   92.791  1068.26  143.434  1030.07  121.686   60.781   4.0860   59.695   3.5295 1.086224 5.399323 
1 1 1    1    2  -23 o  256.259   1.2535 18973.39  185.436 19169.27  259.233 18768.13  265.367  257.615   1.7423  254.903   1.8025 2.711868 2.506975 
1 1 1    1    3  -23 o   78.644   2.6810  1790.42  121.437  1755.29  177.505  1821.33  166.497   77.915   3.9446   79.374   3.6320 -1.459793 5.362029 
1 1 1    1    4  -23 o  101.690   1.8101  2994.84   99.944  2967.12  173.665  3008.57  122.210  101.328   2.9676  102.053   2.0735 -0.7246857 3.620169 
1 1 1    1    5  -23 o   38.031   5.7638  477.789  111.960  537.649  130.891  314.579  216.130   43.097   5.2586   32.964   10.258 10.13340 11.52765 
1 1 1    1    6  -23 o   18.045   5.1017   36.065   82.832   88.468  117.035 -16.5303  117.249   20.119   7.5057   15.971   6.9119 4.148326 10.20344 
1 1 1    1    7  -23 o  143.311   1.4740  5907.35  117.657  5836.88  147.549  6030.40  194.975  142.150   1.7972  144.472   2.3367 -2.322128 2.947946 
1 1 1    1    8  -23 o  239.192   1.3049 16507.98  173.300 16458.33  216.867 16595.71  288.262  238.706   1.5731  239.678   2.0824 -0.9723663 2.609808 
1 1 1    1    9  -23 o   75.780   2.5626  1677.74  110.986  1486.02  162.670  1844.71  151.809   71.679   3.9294   79.881   3.2905 -8.202599 5.125248 
1 1 1    1   10  -23 o  118.569   2.0929  4085.57  122.563  4106.21  140.855  4021.20  248.703  119.219   2.0457  117.920   3.6518 1.299126 4.185772 
1 1 1    1   11  -23 o   80.554   2.9861  1872.56  126.157  1865.49  149.663  1889.92  234.487   80.327   3.2260   80.782   5.0260 -0.4553223 5.972242 
1 1 1    1   12  -23 o  250.143   1.2890 18075.75  186.223 18198.77  264.231 17954.34  262.495  250.989   1.8228  249.298   1.8231 1.691269 2.578074 
1 1 1    1   13  -23 o   19.828   5.9992 -21.7984  122.115 -74.9558  160.380   51.532  188.369   17.269   7.7483   22.387   9.1610 -5.117899 11.99835 
1 1 1    1   14  -23 o  201.921   1.8573 11803.48  204.480 11840.73  250.982 11729.96  352.642  202.428   2.1468  201.415   3.0315 1.013626 3.714647 
1 1 1    1   15  -23 o  162.227   1.9415  7675.23  128.999  7513.77  334.000  7703.54  139.850  161.151   3.5886  163.304   1.4828 -2.152969 3.882905 
1 1 1    1   16  -23 o   79.359   2.1327  1796.22   94.293  1914.80  157.669  1730.20  117.650   81.357   3.3556   77.362   2.6332 3.994202 4.265392 
1 1 1    1   17  -23 o  109.537   2.5244  3419.75  153.380  3291.58  190.223  3657.92  259.315  106.678   3.0875  112.396   3.9948 -5.718658 5.048818 
1 1 1    1   18  -23 o  236.898   1.5529 16215.53  211.872 16278.70  311.818 16161.35  288.773  237.319   2.2750  236.477   2.1144 0.8420410 3.105845 
1 1 1    1   19  -23 o  220.291   1.2838 14026.53  163.255 13857.29  233.626 14188.03  228.225  218.990   1.8472  221.592   1.7833 -2.602753 2.567537 
1 1 1    1   20  -23 o   50.551   4.3443  654.196  107.705  920.172  237.991  585.691  120.781   56.160   7.3375   44.943   4.6533 11.21756 8.688584 
1 1 1    1   21  -23 o  273.429   1.7787 21612.97  280.545 21548.37  387.040 21684.49  407.232  273.007   2.4547  273.852   2.5748 -0.8447571 3.557389 
1 1 1    1   22  -23 o  318.826   1.8255 29392.49  336.146 29478.18  475.385 29306.80  475.380  319.291   2.5779  318.360   2.5855 0.9306946 3.651081 
1 1 1    1   23  -23 o  144.711   1.8572  6039.35  153.762  5939.38  203.159  6173.40  235.259  143.326   2.4543  146.096   2.7882 -2.770187 3.714496 
1 1 1    1   24  -23 o  260.085   2.4778 19579.07  372.012 19410.64  517.030 19759.87  535.674  258.934   3.4573  261.235   3.5505 -2.300812 4.955688 
1 1 1    1   25  -23 o   63.920   3.7808  1190.32  139.009  1223.46  189.868  1152.04  204.076   64.903   5.0653   62.938   5.6143 1.964436 7.561551 
1 1 1    1   26  -23 o  174.485   2.1775  8810.18  219.307  8761.35  304.655  8862.69  315.947  173.990   3.0318  174.981   3.1264 -0.9910126 4.354984 
1 1 1    1   27  -23 o   72.301   2.8782  1504.01  119.702  1365.58  161.097  1674.66  178.863   68.617   4.0651   75.986   4.0757 -7.368500 5.756417 
1 1 1    1   28  -23 o   16.335   5.4082 -185.7385  129.347 -294.7713  199.665 -106.8890  169.794   15.623   7.5172   17.048   7.7773 -1.425308 10.81644 
1 1 1    1   29  -23 o  167.371   2.5154  8106.30  243.153  8106.30  243.153   0.0000   0.0000  167.371   2.5154  ?   ?       ?      ? 
1 1 1    1   30  -23 o   97.881   2.9862  2780.60  167.789  2744.59  224.602  2826.08  252.402   97.198   4.0010   98.563   4.4340 -1.365105 5.972304 
1 1 1    1   31  -23 o   31.973   8.7597  314.917  166.538  314.917  166.538   0.0000   0.0000   31.973   8.7597  ?   ?       ?      ? 
1 1 1    1   32  -23 o  173.855   2.2616  8602.15  199.511  9137.12  395.775  8419.88  231.011  177.196   3.8673  170.513   2.3458 6.682602 4.523144 
1 1 1    1   33  -23 o  107.586   3.0324  3301.44  139.801  3500.26  348.328  3263.26  152.634  109.071   5.5296  106.101   2.4909 2.970558 6.064719 
1 1 1    1   34  -23 o   90.263   2.5521  2407.77  125.267  2276.99  214.106  2475.84  154.464   88.220   4.2022   92.306   2.8974 -4.086220 5.104266 
1 1 1    1   35  -23 o  150.155   2.8320  6619.43  242.447  6513.04  372.138  6697.88  319.577  148.925   4.3266  151.385   3.6552 -2.459808 5.663936 
1 1 1    1   36  -23 o   70.035   4.1179  1464.45  156.340  1484.04  272.940  1454.89  190.730   69.945   6.7566   70.126   4.7093 -0.1810608 8.235847 
1 1 1    1   37  -23 o   80.774   2.6750  1908.12  122.927  1990.84  192.775  1851.44  159.581   82.122   4.0645   79.426   3.4788 2.695724 5.349977 
1 1 1    1   38  -23 f   77.024   3.4796  1816.07  131.022  1852.00  150.848  1705.69  264.391   79.401   3.2895   74.648   6.1326 4.753319 6.959147 
1 1 1    1   39  -23 o   32.875   8.6258  378.707  224.891  514.334  314.847  237.430  321.339   36.673   12.453   29.076   11.940 7.597572 17.25166 
1 1 1    1   40  -23 o   67.437   5.0629  1461.18  178.690  1483.59  214.137  1409.78  324.266   69.715   5.3184   65.160   8.6166 4.555115 10.12581 
1 1 1    1   41  -23 o   93.378   3.4977  2649.62  182.432  2667.16  298.013  2639.11  230.713   93.010   5.5478   93.746   4.2612 -0.7356491 6.995420 
1 1 1    1   42  -23 o   17.065   5.6952 -193.5099  150.426 -353.4371  210.149 -25.4656  215.416   14.508   7.1387   19.621   8.8758 -5.113625 11.39044 
1 1 1    1   43  -23 o   18.769   6.4284 -288.5014  215.063 -227.6469  288.223 -364.9438  323.035   18.915   9.0836   18.623   9.0987 0.2919693 12.85688 
1 1 1    1    0  -24 o   77.160   3.7873  1807.66  151.211  1595.81  269.661  1904.82  182.625   73.418   6.4754   80.901   3.9298 -0.000000 0.000000 
1 1 1    1    1  -24 o  227.385   1.2369 14938.35  162.307 14858.28  233.900 15012.72  225.408  226.796   1.7857  227.975   1.7120 -1.178680 2.473781 
1 1 1    1    2  -24 o   56.731   3.9787  949.330  127.691  1043.73  170.061  827.328  193.335   60.045   4.9039   53.417   6.2668 6.627853 7.957474 
1 1 1    1    3  -24 o   26.087   6.5325  136.827  115.366   81.675  136.426  275.252  216.136   20.802   8.0234   31.373   10.311 -10.57063 13.06500 
1 1 1    1    4  -24 o   43.494   5.4927  547.264  127.271  522.841  154.947  597.911  223.134   42.460   6.3186   44.527   8.9865 -2.067314 10.98550 
1 1 1    1    5  -24 o  234.207   1.7649 16004.00  201.724 15564.29  415.265 16139.80  230.783  232.037   3.0987  236.376   1.6905 -4.338654 3.529855 
1 1 1    1    6  -24 o  107.448   1.6725  3338.85  103.473  3374.44  141.353  3297.76  151.880  108.068   2.2648  106.827   2.4617 1.240562 3.345003 
1 1 1    1    7  -24 o  137.265   1.5266  5437.15  120.323  5506.11  180.632  5382.15  161.325  138.043   2.2657  136.488   2.0466 1.555099 3.053134 
1 1 1    1    8  -24 o  108.164   2.2131  3313.47  125.761  3220.76  148.521  3548.36  236.405  105.571   2.4359  110.757   3.6957 -5.186592 4.426270 
1 1 1    1    9  -24 o  314.073   1.5297 28486.00  273.248 28410.19  356.418 28594.08  425.578  313.582   1.9680  314.563   2.3425 -0.9806824 3.059486 
1 1 1    1   10  -24 o   37.748   4.9340  476.823   92.692  552.473  111.148  304.054  167.969   43.683   4.4056   31.813   8.8299 11.87014 9.867955 
1 1 1    1   11  -24 o  299.185   1.8560 25861.10  320.705   0.0000   0.0000 25861.10  320.705  ?   ?   299.185   1.8560      ?      ? 
1 1 1    1   12  -24 o   18.740   5.3686   21.181   95.874 -72.1991  139.275  105.284  132.176   15.910   7.1724   21.570   7.9904 -5.659891 10.73729 
1 1 1    1   13  -24 o   96.844   2.2654  2737.33  123.337  2600.46  195.887  2827.24  158.757   94.800   3.5778   98.887   2.7798 -4.086662 4.530724 
1 1 1    1   14  -24 o   73.041   3.3555  1562.22  137.979  1471.14  217.696  1623.38  178.387   71.210   5.2933   74.872   4.1253 -3.661842 6.710956 
1 1 1    1   15  -24 o  273.292   1.6576 21588.59  261.621 21754.77  370.296 21422.97  369.679  274.343   2.3371  272.241   2.3512 2.101715 3.315106 
1 1 1    1   16  -24 o   27.392   6.1012  228.412  113.149   38.340  214.934  301.282  133.083   23.264   9.6783   31.520   7.4317 -8.255878 12.20242 
1 1 1    1   17  -24 o  310.085   1.6113 27797.78  284.801 27821.38  373.870 27765.16  439.608  310.267   2.0864  309.904   2.4561 0.3623047 3.222690 
1 1 1    1   18  -24 o  207.954   2.0531 12528.61  224.917 12458.01  413.394 12558.30  268.066  207.468   3.4501  208.440   2.2268 -0.9720154 4.106275 
1 1 1    1   19  -24 o  207.266   1.9113 12324.74  177.516 12267.74  196.372 12579.55  415.170  206.058   1.6501  208.473   3.4482 -2.415558 3.822661 
1 1 1    1   20  -24 o   44.487   6.6290  584.764  160.327  532.576  200.695  676.808  266.534   41.901   8.5821   47.074   10.106 -5.173164 13.25810 
1 1 1    1   21  -24 o  231.673   1.8860 15464.47  239.465 15701.92  410.784 15342.24  294.721  232.964   3.0531  230.383   2.2150 2.580597 3.771957 
1 1 1    1   22  -24 o   71.435   3.0010  1465.61  122.104  1401.90  158.505  1558.61  191.500   69.562   3.9454   73.309   4.5230 -3.747589 6.001947 
1 1 1    1   23  -24 o  190.896   1.4672 10505.40  156.641 10422.76  197.789 10644.45  256.549  189.914   1.8033  191.879   2.3150 -1.964371 2.934483 
1 1 1    1   24  -24 o   39.805   7.3395  503.470  168.368  386.771  285.674  565.581  208.411   36.473   11.848   43.137   8.6661 -6.664494 14.67909 
1 1 1    1   25  -24 o  218.137   1.5453 13722.60  189.204 13610.75  240.252 13905.25  307.007  217.000   1.9170  219.274   2.4242 -2.273682 3.090600 
1 1 1    1   26  -24 o  107.440   2.4214  3383.33  140.563  3231.90  244.157  3458.41  171.910  105.556   4.0050  109.323   2.7227 -3.766975 4.842825 
1 1 1    1   27  -24 o   80.325   5.1778  1924.99  232.525  1757.94  369.626  2034.39  299.129   77.210   8.2890   83.440   6.2072 -6.230339 10.35554 
1 1 1    1   28  -24 o  154.087   1.9105  6873.30  170.018  6937.62  241.274  6809.86  239.617  154.803   2.6986  153.370   2.7051 1.433044 3.821050 
1 1 1    1   29  -24 o   96.983   3.3548  2728.18  187.910   0.0000   0.0000  2728.18  187.910  ?   ?    96.983   3.3548      ?      ? 
1 1 1    1   30  -24 o   70.179   4.8313  1437.44  195.819  1437.44  195.819   0.0000   0.0000   70.179   4.8313  ?   ?       ?      ? 
1 1 1    1   31  -24 f   97.154   3.1386  2740.21  176.107  2740.21  176.107   0.0000   0.0000   97.154   3.1386  ?   ?       ?      ? 
1 1 1    1   32  -24 o   26.512   6.9968  176.180  145.483   37.121  259.186  240.146  175.787   24.624   10.459   28.401   9.2973 -3.777552 13.99362 
1 1 1    1   33  -24 o   58.317   6.3848  1191.82  164.561  822.983  334.413  1309.68  189.033   49.906   11.790   66.729   4.9050 -16.82305 12.76953 
1 1 1    1   34  -24 o   35.592   6.7671  462.334  137.436  154.941  326.297  528.630  151.534   29.155   12.009   42.029   6.2427 -12.87416 13.53427 
1 1 1    1   35  -24 o   64.157   4.2658  1213.14  158.062   0.0000   0.0000  1213.14  158.062  ?   ?    64.157   4.2658      ?      ? 
1 1 1    1   36  -24 o   44.654   4.1958  573.528  105.481  456.142  133.115  771.622  172.924   38.818   5.9376   50.490   5.9301 -11.67259 8.391677 
1 1 1    1   37  -24 o   41.432   4.4189  524.326  105.368  557.398  157.197  497.344  141.988   42.554   6.3961   40.310   6.0989 2.244400 8.837847 
1 1 1    1   38  -24 f   64.651   3.7743  1276.46  140.077  1362.43  192.766  1180.28  203.899   67.184   4.9680   62.118   5.6835 5.066135 7.548689 
1 1 1    1   39  -24 o   49.950   4.5363  773.846  123.598  800.199  213.330  760.531  151.642   49.955   7.3942   49.944   5.2571 0.1041412E-01 9.072551 
1 1 1    1   40  -24 o   42.106   9.2259  622.562  218.158  622.562  218.158   0.0000   0.0000   42.106   9.2259  ?   ?       ?      ? 
1 1 1    1   41  -24 o   40.844   7.0728  602.525  139.836  598.068  154.410  622.849  329.727   43.556   6.1382   38.131   12.744 5.425159 14.14563 
1 1 1    1   42  -24 o   28.138   7.4911  302.402  183.254 -25.7181  367.293  411.154  211.453   23.668   11.023   32.608   10.147 -8.939693 14.98226 
1 1 1    1    0  -25 o   68.323   3.8338  1372.24  143.173  1388.48  238.105  1363.04  179.184   68.449   6.1365   68.197   4.5973 -0.000000 0.000000 
1 1 1    1    1  -25 o   75.303   2.4335  1637.90  103.820  1650.84  163.861  1629.22  134.192   75.540   3.7559   75.066   3.0953 0.4743195 4.866944 
1 1 1    1    2  -25 o   15.379   5.1720 -232.5993  126.513 -305.9640  186.292 -169.8038  172.352   14.734   7.1318   16.023   7.4922 -1.288957 10.34393 
1 1 1    1    3  -25 o   75.559   3.1370  1670.97  135.376  1882.38  187.024  1438.30  196.206   80.652   4.0151   70.466   4.8211 10.18559 6.274074 
1 1 1    1    4  -25 o  437.085   1.7335 55219.61  437.516 54717.91  622.514 55709.34  615.036  435.119   2.4772  439.051   2.4255 -3.931763 3.466899 
1 1 1    1    5  -25 o   29.663   7.2080  233.308  143.906  233.293  247.535  233.316  176.865   30.609   10.996   28.718   9.3221 1.890963 14.41597 
1 1 1    1    6  -25 o  121.536   2.2682  4335.02  129.777  4382.31  146.464  4162.25  279.953  123.153   2.0592  119.919   4.0422 3.234192 4.536459 
1 1 1    1    7  -25 o  108.828   2.6613  3411.07  140.679  3456.88  294.496  3397.52  160.131  109.239   4.6679  108.417   2.5574 0.8219910 5.322500 
1 1 1    1    8  -25 o  190.629   1.4284 10471.34  152.702 10620.34  248.399 10380.82  193.606  191.702   2.2436  189.555   1.7685 2.146835 2.856753 
1 1 1    1    9  -25 o  139.857   1.5291  5678.74  121.760  5489.71  187.046  5817.74  160.398  137.819   2.3499  141.896   1.9572 -4.076660 3.058258 
1 1 1    1   10  -25 o  234.575   1.4760 15896.80  193.358 15917.87  316.856 15884.29  244.072  234.678   2.3378  234.473   1.8024 0.2055206 2.951903 
1 1 1    1   11  -25 o   70.931   3.5189  1542.33  110.553  1593.46  123.146  1330.00  250.958   74.232   2.8724   67.631   6.4250 6.601112 7.037800 
1 1 1    1   12  -25 o  156.046   2.2224  7036.23  176.715  7060.08  343.701  7027.66  206.033  156.163   3.8108  155.930   2.2878 0.2329865 4.444822 
1 1 1    1   13  -25 o  225.404   1.9990 14677.16  248.423 14745.39  419.667 14640.35  308.227  225.759   3.2187  225.050   2.3714 0.7096405 3.997913 
1 1 1    1   14  -25 o  187.391   2.1136 10224.83  210.034  9985.54  379.847 10330.22  252.076  185.739   3.5409  189.044   2.3088 -3.304596 4.227149 
1 1 1    1   15  -25 o  134.822   1.7877  5182.65  135.335  5558.91  222.131  4960.54  170.668  138.643   2.7741  131.002   2.2557 7.641861 3.575482 
1 1 1    1   16  -25 o   21.709   6.0745   37.778  117.340 -56.7938  153.712  169.858  181.654   17.257   7.6750   26.160   9.4177 -8.903225 12.14902 
1 1 1    1   17  -25 o  100.051   1.9357  2899.79  111.449  2832.72  163.694  2957.74  152.162   98.963   2.8640  101.138   2.6050 -2.174309 3.871498 
1 1 1    1   18  -25 o  174.639   1.6927  8860.43  168.526  8532.34  257.365  9106.71  222.979  171.777   2.5942  177.500   2.1751 -5.722748 3.385379 
1 1 1    1   19  -25 o   17.804   5.5720 -49.1569  112.401 -23.3768  146.376 -86.2033  175.469   17.692   7.6898   17.915   8.0658 -0.2225590 11.14403 
1 1 1    1   20  -25 o   90.872   2.0770  2388.20  108.985  2424.97  156.042  2353.18  152.284   91.554   2.9511   90.190   2.9235 1.363823 4.154025 
1 1 1    1   21  -25 o   97.265   1.8480  2735.63  102.428  2738.41  158.318  2733.63  134.330   97.296   2.8174   97.234   2.3920 0.6126404E-01 3.695904 
1 1 1    1   22  -25 o  166.193   2.0635  7983.78  198.063  7983.78  198.063   0.0000   0.0000  166.193   2.0635  ?   ?       ?      ? 
1 1 1    1   23  -25 o  120.825   1.9487  4183.77  123.578  4129.26  146.348  4319.20  230.686  119.513   2.1202  122.137   3.2703 -2.623604 3.897483 
1 1 1    1   24  -25 o  224.331   1.8715 14508.71  215.615 14671.47  414.997 14448.53  252.349  225.094   3.1922  223.568   1.9544 1.525101 3.742991 
1 1 1    1   25  -25 o   52.716   5.1377  785.749  141.303  884.070  271.248  749.129  165.540   54.738   8.5801   50.694   5.6540 4.043938 10.27549 
1 1 1    1   26  -25 o  122.089   1.7948  4318.98  125.965  4253.37  186.608  4373.90  170.732  121.223   2.6654  122.955   2.4043 -1.732109 3.589550 
1 1 1    1   27  -25 o   88.586   2.9880  2273.61  152.871  2273.61  152.871   0.0000   0.0000   88.586   2.9880  ?   ?       ?      ? 
1 1 1    1   28  -25 o  149.249   1.5823  6454.02  136.217  6684.97  190.334  6211.53  195.033  152.000   2.1681  146.499   2.3051 5.500137 3.164536 
1 1 1    1   29  -25 o  231.096   2.2813 15507.97  303.412 15407.95  447.463 15593.09  412.809  230.355   3.3634  231.837   3.0831 -1.481674 4.562620 
1 1 1    1   30  -25 o   66.467   4.7290  1327.67  177.016  1410.80  231.019  1209.46  275.487   69.235   5.7774   63.699   7.4883 5.536842 9.458007 
1 1 1    1   31  -25 f   64.738   3.7010  1217.15  134.998  1303.28  219.230  1164.55  171.336   66.446   5.7128   63.030   4.7067 3.415546 7.401906 
1 1 1    1   32  -25 o   79.964   4.3591  1892.60  184.364  1876.50  220.156  1930.38  337.318   79.877   4.7723   80.051   7.2961 -0.1735535 8.718203 
1 1 1    1   33  -25 o  151.751   2.5097  6690.76  219.959  6690.76  219.959   0.0000   0.0000  151.751   2.5097  ?   ?       ?      ? 
1 1 1    1   34  -25 o   84.240   3.6602  2201.94  163.204  2366.15  199.761  1872.31  283.024   89.737   3.8544   78.742   6.2234 10.99436 7.320329 
1 1 1    1   35  -25 o  145.257   1.6999  6139.79  142.446  6200.43  206.926  6085.18  196.385  145.913   2.4555  144.601   2.3515 1.311996 3.399863 
1 1 1    1   36  -25 o   42.646   7.2141  642.935  160.078  579.919  327.287  662.750  183.528   39.150   12.679   46.142   6.8868 -6.991753 14.42830 
1 1 1    1   37  -25 o   23.853   5.8287  172.945   94.624  155.916  118.078  203.506  158.187   22.429   7.6259   25.276   8.8171 -2.846968 11.65741 
1 1 1    1   38  -25 o   61.350   5.7162  1303.10  145.210  1110.21  328.834  1349.82  161.846   55.509   10.645   67.191   4.1706 -11.68262 11.43243 
1 1 1    1   39  -25 o   23.460   6.3025  157.586  127.230 -23.9783  224.685  243.283  154.363   20.212   9.1108   26.709   8.7108 -6.497292 12.60500 
1 1 1    1   40  -25 o   58.739   4.9971  1052.12  147.642  1261.32  300.416  985.504  169.528   60.889   8.5428   56.590   5.1870 4.298740 9.994229 
1 1 1    1   41  -25 o   38.711   9.1814  687.160  245.524  780.949  342.018  587.435  352.674   41.766   12.889   35.656   13.079 6.109802 18.36281 
1 1 1    1   42  -25 o   32.436   8.1164  477.069  199.622  332.396  342.373  551.581  245.709   28.513   12.060   36.358   10.865 -7.844883 16.23288 
1 1 1    1    0  -26 o   15.319   7.1370 -47.7736  161.225  -9.4524  235.367 -81.6492  221.294   16.308   10.564   14.331   9.5989 -0.000000 0.000000 
1 1 1    1    1  -26 o  237.612   1.1855 16328.56  161.267 16177.26  244.200 16445.58  214.758  236.627   1.7869  238.596   1.5585 -1.968735 2.371034 
1 1 1    1    2  -26 o  130.811   1.6921  4991.89  123.403  4764.44  200.515  5130.56  156.564  128.374   2.7045  133.248   2.0344 -4.874695 3.384269 
1 1 1    1    3  -26 o  552.462   2.1040 88257.55  671.228 88570.90  957.862 87955.22  940.886  553.419   2.9968  551.504   2.9539 1.915527 4.207952 
1 1 1    1    4  -26 o   74.079   3.6583  1487.73  123.401  1764.78  292.574  1427.78  136.100   77.907   6.5024   70.251   3.3544 7.655563 7.316670 
1 1 1    1    5  -26 o  315.249   1.3367 28739.36  242.201 28961.88  327.499 28470.74  359.828  316.607   1.7910  313.892   1.9849 2.715088 2.673476 
1 1 1    1    6  -26 o   13.698   4.8336 -450.9514  128.481 -511.8264  156.555 -325.3780  224.852   10.676   5.3868   16.719   8.0273 -6.042798 9.667246 
1 1 1    1    7  -26 o  171.749   1.6747  8522.55  165.918  8451.20  228.717  8601.80  241.055  170.994   2.3160  172.504   2.4195 -1.509567 3.349307 
1 1 1    1    8  -26 o   49.854   3.2651  736.256   91.096  797.109  118.269  647.494  142.839   52.469   3.9029   47.238   5.2356 5.230251 6.530225 
1 1 1    1    9  -26 o  222.667   1.2627 14333.18  162.220 14144.23  233.928 14508.21  225.150  221.249   1.8307  224.084   1.7397 -2.835205 2.525473 
1 1 1    1   10  -26 o   14.293   4.7847 -158.2549  100.534 -126.3749  124.041 -219.2920  171.634   13.502   6.3270   15.084   7.1793 -1.581117 9.569434 
1 1 1    1   11  -26 o  165.985   1.6647  7972.38  158.997  8064.80  216.514  7864.20  234.244  167.038   2.2443  164.932   2.4591 2.106018 3.329305 
1 1 1    1   12  -26 o   58.382   4.8206  1017.32  151.262  1064.34  185.465  923.913  261.408   60.548   5.3037   56.217   8.0513 4.331020 9.641212 
1 1 1    1   13  -26 o  163.712   1.4914  7737.70  132.894  7771.86  230.613  7720.71  162.608  163.959   2.4354  163.465   1.7224 0.4936371 2.982880 
1 1 1    1   14  -26 o  146.997   1.6673  6222.48  137.287  6344.79  224.256  6149.17  173.624  148.129   2.6213  145.865   2.0610 2.264023 3.334512 
1 1 1    1   15  -26 o  268.926   1.9519 20803.04  292.074 20502.66  365.573 21333.18  485.659  266.308   2.3769  271.543   3.0968 -5.234589 3.903765 
1 1 1    1   16  -26 o  182.457   2.4765  9625.25  260.971  9625.25  260.971   0.0000   0.0000  182.457   2.4765  ?   ?       ?      ? 
1 1 1    1   17  -26 o  133.155   1.6623  5125.67  127.834  5096.60  180.207  5155.10  181.368  132.775   2.3500  133.535   2.3517 -0.7597656 3.324617 
1 1 1    1   18  -26 o  258.283   1.5690 19322.70  227.497 19119.29  366.819 19449.84  290.008  257.144   2.4700  259.422   1.9356 -2.278259 3.138037 
1 1 1    1   19  -26 o  209.141   1.5923 12645.76  192.314 12573.03  273.097 12717.31  270.863  208.543   2.2674  209.739   2.2361 -1.196381 3.184543 
1 1 1    1   20  -26 o  108.892   2.6064  3432.89  149.355  3440.10  275.473  3429.89  177.748  108.902   4.3798  108.882   2.8266 0.1998138E-01 5.212723 
1 1 1    1   21  -26 o  220.595   2.0428 13953.15  221.798 13837.90  253.671 14327.26  457.042  218.796   2.0075  222.393   3.5584 -3.597000 4.085551 
1 1 1    1   22  -26 o  192.858   1.5755 10759.58  173.276 10725.26  266.882 10784.59  227.825  192.572   2.3996  193.145   2.0424 -0.5727844 3.151099 
1 1 1    1   23  -26 o   77.384   3.4168  1743.02  146.479  1748.27  183.114  1733.69  244.096   77.621   4.0847   77.148   5.4784 0.4728317 6.833560 
1 1 1    1   24  -26 o   59.717   3.5971  1028.59  122.680  977.146  160.281  1101.37  190.632   57.959   4.7882   61.475   5.3692 -3.516624 7.194118 
1 1 1    1   25  -26 o  132.215   2.1683  5074.33  165.166  4899.93  239.575  5232.31  228.014  130.027   3.1902  134.402   2.9374 -4.374603 4.336603 
1 1 1    1   26  -26 f  168.380   1.8411  8215.50  178.552  8122.06  261.513  8297.10  244.379  167.464   2.7039  169.295   2.4994 -1.830765 3.682103 
1 1 1    1   27  -26 o   96.629   2.3588  2695.97  130.289  2805.19  200.763  2616.51  171.249   98.280   3.5370   94.977   3.1219 3.303108 4.717695 
1 1 1    1   28  -26 o  179.564   1.5808  9388.64  152.792  9484.12  185.636  9188.10  269.029  181.075   1.7751  178.053   2.6162 3.022247 3.161531 
1 1 1    1   29  -26 o   43.185   6.3036  576.026  148.246  571.721  250.116  578.357  184.061   42.327   10.324   44.043   7.2360 -1.716717 12.60717 
1 1 1    1   30  -26 o   76.379   4.8149  1738.50  211.737  1701.99  287.126  1782.02  313.490   75.585   6.5773   77.172   7.0336 -1.586723 9.629816 
1 1 1    1   31  -26 o   71.900   4.4132  1520.56  169.038  1484.88  202.260  1603.21  307.838   70.962   4.9351   72.837   7.3178 -1.875229 8.826447 
1 1 1    1   32  -26 o   67.616   3.6179  1355.08  141.102  1336.83  194.133  1375.52  205.442   67.173   5.0041   68.060   5.2266 -0.8869553 7.235847 
1 1 1    1   33  -26 o  110.040   3.3239  3633.17  186.061  3681.44  217.907  3503.26  357.460  112.122   3.3651  107.958   5.7331 4.164818 6.647703 
1 1 1    1   34  -26 o   80.405   4.7072  1927.73  218.592   0.0000   0.0000  1927.73  218.592  ?   ?    80.405   4.7072      ?      ? 
1 1 1    1   35  -26 o   55.246   5.4888  1020.22  157.350  1127.55  197.502  833.704  260.352   60.883   5.6168   49.608   9.4318 11.27548 10.97756 
1 1 1    1   36  -26 o   56.029   3.9207  962.240  125.972  1091.67  178.697  834.382  177.610   59.994   5.1573   52.063   5.9068 7.931442 7.841443 
1 1 1    1   37  -26 o   24.362   6.7147  167.440  139.399   59.254  234.704  226.403  173.271   22.515   9.7616   26.210   9.2229 -3.694639 13.42942 
1 1 1    1   38  -26 o   31.312   6.8248  345.288  144.394  197.009  202.180  499.655  206.290   25.309   9.7658   37.315   9.5364 -12.00547 13.64968 
1 1 1    1   39  -26 o   31.213   7.2377  368.950  152.382  313.290  232.762  410.698  201.586   29.168   10.636   33.259   9.8184 -4.090820 14.47531 
1 1 1    1   40  -26 o   60.676   5.7574  1198.85  176.396  1389.89  351.241  1134.41  203.985   61.510   9.8872   59.843   5.9020 1.667606 11.51479 
1 1 1    1    0  -27 o  134.594   2.5335  5239.85  196.783  5239.85  196.783   0.0000   0.0000  134.594   2.5335  134.594   2.5335 -0.000000 0.000000 
1 1 1    1    1  -27 o   13.874   4.7809 -347.8553  112.676 -127.6922  186.443 -474.5340  141.425   17.704   8.1044   10.044   5.0740 7.659856 9.561728 
1 1 1    1    2  -27 o  189.366   1.1572 10364.38  126.160 10307.44  185.678 10413.20  171.946  188.879   1.7021  189.853   1.5682 -0.9741516 2.314383 
1 1 1    1    3  -27 o   15.408   4.9130 -74.0635   93.602 -30.6858  129.550 -121.4398  135.390   16.362   7.1702   14.453   6.7186 1.909258 9.826025 
1 1 1    1    4  -27 o   58.489   3.8339  1002.55  128.196  1136.33  178.390  859.684  184.349   62.589   4.9350   54.389   5.8687 8.199982 7.667844 
1 1 1    1    5  -27 o   29.428   6.3579  253.331  118.485  288.799  170.066  219.878  165.167   31.056   8.9757   27.800   9.0072 3.256018 12.71585 
1 1 1    1    6  -27 o  208.705   1.5606 12599.50  186.127 12522.20  284.207 12657.56  246.293  208.130   2.3644  209.280   2.0377 -1.150208 3.121288 
1 1 1    1    7  -27 o   61.096   3.9250  1080.99  138.289  1019.13  189.577  1151.35  202.171   59.234   5.5415   62.958   5.5601 -3.724068 7.850028 
1 1 1    1    8  -27 o  176.956   1.5148  9053.55  154.556  8993.35  224.763  9107.54  212.871  176.393   2.2063  177.518   2.0763 -1.125793 3.029622 
1 1 1    1    9  -27 o   14.062   4.7279 -192.4733  104.512 -234.1086  142.947 -144.6579  153.189   12.911   6.2487   15.214   7.0969 -2.302855 9.455763 
1 1 1    1   10  -27 o  181.491   1.9531  9466.63  180.913  9653.24  352.403  9399.85  210.814  182.636   3.3409  180.347   2.0240 2.288605 3.906193 
1 1 1    1   11  -27 o   87.064   2.8315  2143.09  130.470  2327.19  242.845  2068.39  154.692   89.578   4.6940   84.549   3.1679 5.028175 5.662983 
1 1 1    1   12  -27 o   61.232   4.0647  1044.09  131.163  1201.90  248.934  983.439  154.322   64.228   6.7108   58.236   4.5883 5.992149 8.129410 
1 1 1    1   13  -27 o   65.859   3.0897  1309.82  105.934  1132.34  191.043  1388.62  127.296   62.443   5.2974   69.274   3.1817 -6.830883 6.179416 
1 1 1    1   14  -27 o  151.165   1.9500  6625.86  169.266  6439.59  251.320  6780.51  228.991  149.201   2.9165  153.128   2.5893 -3.926849 3.900078 
1 1 1    1   15  -27 o   72.294   3.3470  1524.36  138.414  1581.77  185.546  1452.33  207.841   73.864   4.3495   70.725   5.0883 3.138550 6.693916 
1 1 1    1   16  -27 o  192.159   2.1116 10728.28  222.404 10827.27  274.935 10540.87  378.300  193.507   2.4601  190.811   3.4328 2.695297 4.223272 
1 1 1    1   17  -27 o  100.505   3.2746  2924.09  177.551  2950.93  313.666  2911.43  215.377  100.757   5.3902  100.252   3.7198 0.5044785 6.549154 
1 1 1    1   18  -27 o   45.898   5.0836  598.712  131.712  540.615  166.439  696.053  215.442   43.039   6.6960   48.757   7.6509 -5.718143 10.16719 
1 1 1    1   19  -27 o   74.911   3.0297  1613.56  130.046  1928.79  193.245  1352.64  175.815   81.554   4.1028   68.269   4.4591 13.28436 6.059397 
1 1 1    1   20  -27 o  102.645   3.0286  3011.17  148.919  2975.21  168.251  3141.21  319.972  101.391   2.8733  103.899   5.3323 -2.507988 6.057180 
1 1 1    1   21  -27 o   18.513   6.1418 -157.2020  142.822 -105.3782  162.140 -336.6339  301.700   16.593   7.5815   20.433   9.6648 -3.840084 12.28364 
1 1 1    1   22  -27 o   69.704   3.1291  1394.63  124.482  1307.55  162.022  1520.09  194.476   67.104   4.1806   72.305   4.6571 -5.200470 6.258262 
1 1 1    1   23  -27 o   67.284   4.3677  1433.18  139.411  1532.10  160.606  1130.84  280.781   72.653   3.8275   61.914   7.8523 10.73956 8.735477 
1 1 1    1   24  -27 o  123.909   2.2462  4548.77  135.930  4638.30  156.060  4267.31  276.697  126.624   2.1340  121.194   3.9531 5.430466 4.492324 
1 1 1    1   25  -27 o  157.152   2.2456  7124.85  194.345  7037.00  240.272  7291.07  330.511  155.860   2.6692  158.443   3.6118 -2.582825 4.491104 
1 1 1    1   26  -27 o  114.160   1.8666  3791.21  122.575  3550.61  177.688  4009.65  169.310  110.670   2.7800  117.651   2.4917 -6.981453 3.733255 
1 1 1    1   27  -27 o  102.633   2.4210  3059.15  143.270  3005.33  196.363  3120.41  209.505  101.685   3.3436  103.581   3.5021 -1.895912 4.841969 
1 1 1    1   28  -27 o   28.516   7.3890  200.451  146.220  172.383  172.155  273.128  277.019   25.435   9.1669   31.598   11.591 -6.162878 14.77804 
1 1 1    1   29  -27 o   43.949   5.5410  521.570  120.082  756.606  252.349  452.771  136.530   48.869   9.2804   39.030   6.0568 9.838139 11.08198 
1 1 1    1   30  -27 o   71.325   3.7762  1488.79  155.554  1488.79  155.554   0.0000   0.0000   71.325   3.7762  ?   ?       ?      ? 
1 1 1    1   31  -27 o  110.569   2.8187  3588.11  167.216  3606.68  297.676  3579.55  202.119  110.419   4.6678  110.719   3.1608 -0.2999649 5.637335 
1 1 1    1   32  -27 o   76.796   2.7296  1717.20  118.755  1640.78  152.283  1835.79  189.708   74.763   3.5268   78.828   4.1670 -4.064873 5.459105 
1 1 1    1   33  -27 o   26.229   6.9505  193.054  146.803   99.210  214.841  275.249  201.064   23.434   9.7066   29.023   9.9508 -5.588974 13.90092 
1 1 1    1   34  -27 o   34.859   6.2187  415.329  121.401  392.828  208.336  426.898  149.385   33.485   10.004   36.232   7.3893 -2.747578 12.43741 
1 1 1    1   35  -27 o  119.515   2.4962  4285.67  168.013  4550.90  219.198  3907.92  261.599  124.420   3.0504  114.609   3.9521 9.810722 4.992447 
1 1 1    1   36  -27 o   55.593   3.9913  914.685  121.945  1076.12  213.601  836.627  148.529   58.659   6.3049   52.527   4.8960 6.132404 7.982694 
1 1 1    1   37  -27 o   40.121   4.2809  486.936   95.500  566.708  162.506  444.851  118.033   42.221   6.6643   38.021   5.3752 4.199917 8.561850 
1 1 1    1   38  -27 o   31.580   7.8016  300.136  136.591  589.476  349.220  247.878  148.414   36.504   13.067   26.656   8.5279 9.848824 15.60330 
1 1 1    1   39  -27 o   71.584   6.0303  1784.81  249.305  1788.97  354.041  1780.71  351.118   71.623   8.5589   71.546   8.4974 0.7744598E-01 12.06065 
1 1 1    1    0  -28 o  ?   ?  -1301.6219  178.617 -1257.6880  251.848 -1346.0870  253.364  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    1    1  -28 o  134.357   1.8153  5204.81  140.104  5083.74  187.663  5357.28  210.586  132.605   2.4504  136.110   2.6789 -3.505295 3.630529 
1 1 1    1    2  -28 o   40.319   6.5613  579.214  139.859  680.797  160.126  252.406  287.210   48.400   5.7284   32.238   11.806 16.16139 13.12254 
1 1 1    1    3  -28 o  254.180   1.6909 18677.86  248.217 18608.20  351.116 18747.45  350.947  253.706   2.3963  254.655   2.3862 -0.9487457 3.381711 
1 1 1    1    4  -28 o   64.696   2.8037  1212.95  104.174  1217.90  140.274  1206.87  155.557   64.853   3.7451   64.538   4.1734 0.3158188 5.607397 
1 1 1    1    5  -28 o  141.449   1.7399  5835.15  130.409  5913.82  156.548  5656.78  235.725  143.055   1.8948  139.844   2.9186 3.211121 3.479728 
1 1 1    1    6  -28 o   18.171   6.0245 -229.6028  150.127 -132.7882  252.902 -282.2816  186.552   21.288   9.6246   15.053   7.2490 6.235071 12.04908 
1 1 1    1    7  -28 o  338.693   1.3971 33100.43  270.118 33484.74  415.892 32820.03  355.246  340.371   2.1156  337.014   1.8251 3.357147 2.794111 
1 1 1    1    8  -28 o  167.081   1.6654  8020.46  155.511  7877.27  195.716  8265.69  256.127  165.093   2.0526  169.069   2.6230 -3.976303 3.330723 
1 1 1    1    9  -28 o  274.525   2.1158 21533.20  244.769 22198.25  619.949 21410.38  266.413  276.836   3.8775  272.213   1.6946 4.623596 4.231581 
1 1 1    1   10  -28 o   78.182   3.2480  1817.46  129.060  1677.49  246.463  1870.35  151.491   75.972   5.6171   80.392   3.2628 -4.419617 6.495991 
1 1 1    1   11  -28 o  198.355   1.5457 11388.85  174.980 11478.39  230.880 11268.02  268.212  199.288   2.0060  197.422   2.3523 1.865662 3.091487 
1 1 1    1   12  -28 o   26.264   7.5272  102.395  161.410   44.472  321.613  121.897  186.615   27.987   11.755   24.542   9.4048 3.444277 15.05439 
1 1 1    1   13  -28 o  235.408   1.6013 16007.21  211.411 16078.36  343.047 15963.64  268.447  235.798   2.5190  235.018   1.9777 0.7800293 3.202632 
1 1 1    1   14  -28 o  129.093   2.4064  4845.07  156.596  4866.33  181.777  4783.91  308.383  129.728   2.4262  128.459   4.1566 1.269058 4.812887 
1 1 1    1   15  -28 o  191.952   2.0786 10639.26  223.211 10751.89  365.000 10571.97  282.111  192.714   3.2794  191.190   2.5549 1.523849 4.157139 
1 1 1    1   16  -28 o   67.549   4.0823  1306.99  143.680  1279.44  169.059  1378.65  272.655   66.403   4.4082   68.695   6.8724 -2.291321 8.164652 
1 1 1    1   17  -28 o   52.863   5.6414  905.615  135.173  967.585  154.963  708.406  276.439   57.722   4.6484   48.004   10.281 9.718311 11.28287 
1 1 1    1   18  -28 f   94.212   2.2378  2584.25  118.177  2630.16  150.753  2511.04  190.342   95.337   2.7379   93.088   3.5404 2.249100 4.475585 
1 1 1    1   19  -28 o  161.299   2.1426  7588.73  173.801  7646.71  201.673  7421.40  342.632  162.615   2.1473  159.983   3.7083 2.631943 4.285117 
1 1 1    1   20  -28 o   76.667   2.8184  1659.23  116.342  1835.01  210.661  1582.09  139.555   79.444   4.5913   73.890   3.2702 5.554245 5.636867 
1 1 1    1   21  -28 o  133.046   2.1889  5131.00  167.264  5148.93  225.246  5108.97  249.741  133.329   2.9252  132.762   3.2571 0.5664673 4.377803 
1 1 1    1   22  -28 o   70.402   3.2289  1443.77  130.405  1435.96  195.817  1449.98  174.806   70.197   4.8300   70.607   4.2867 -0.4097137 6.457896 
1 1 1    1   23  -28 o   74.712   3.4014  1620.07  146.769   0.0000   0.0000  1620.07  146.769  ?   ?    74.712   3.4014      ?      ? 
1 1 1    1   24  -28 o  108.278   2.1157  3397.72  131.230  3377.97  174.567  3423.39  199.000  107.946   2.8001  108.610   3.1725 -0.6637039 4.231426 
1 1 1    1   25  -28 o  181.966   1.6134  9586.24  169.239  9531.21  232.012  9648.81  247.409  181.423   2.2143  182.508   2.3472 -1.084503 3.226811 
1 1 1    1   26  -28 o   12.175   4.3428 -636.9451  142.753 -607.1572  205.289 -664.8351  198.641   12.560   6.3154   11.790   5.9628 0.7702045 8.685576 
1 1 1    1   27  -28 o   42.847   6.1337  578.775  128.724  587.744  147.967  550.861  261.037   44.561   5.7495   41.134   10.837 3.426517 12.26739 
1 1 1    1   28  -28 o   90.448   2.5206  2405.72  119.068  2348.85  220.694  2429.07  141.415   89.470   4.2710   91.426   2.6782 -1.956406 5.041244 
1 1 1    1   29  -28 o  144.327   1.9370  6045.60  159.937  5945.13  211.324  6180.32  244.697  142.999   2.5588  145.656   2.9088 -2.657425 3.874077 
1 1 1    1   30  -28 o   22.339   6.5800 -34.0530  136.176  252.539  253.975 -149.6886  161.326   29.463   11.044   15.214   7.1566 14.24941 13.16002 
1 1 1    1   31  -28 o   65.315   4.5517  1260.15  165.518  1145.78  204.704  1476.11  281.302   61.547   5.7588   69.082   7.0505 -7.534737 9.103488 
1 1 1    1   32  -28 o   22.128   6.3570   95.988  126.987   65.967  171.905  132.047  188.400   20.781   8.6512   23.476   9.3168 -2.694895 12.71401 
1 1 1    1   33  -28 o   36.054   6.0228  485.020  135.791  191.050  222.011  660.728  171.640   25.994   10.177   46.114   6.4447 -20.12001 12.04565 
1 1 1    1   34  -28 o   70.399   3.7155  1514.98  150.113  1701.02  212.297  1328.95  212.286   74.974   4.9028   65.823   5.5841 9.150963 7.431038 
1 1 1    1   35  -28 f   17.025   5.2062   2.0024   95.655 -54.2777  132.410   63.435  138.339   15.112   6.8841   18.938   7.8119 -3.825811 10.41239 
1 1 1    1   36  -28 o   29.117   5.6044  292.096   97.504  328.057  134.496  252.260  141.558   31.153   7.5534   27.081   8.2815 4.072309 11.20880 
1 1 1    1   37  -28 o   27.043   6.3828  276.558  118.650   67.849  279.140  322.581  131.080   23.331   10.361   30.755   7.4568 -7.423828 12.76556 
1 1 1    1   38  -28 o   24.732   6.3945  201.195  126.456  308.616  176.173   87.023  181.624   28.734   9.3017   20.730   8.7770 8.004116 12.78896 
1 1 1    1    0  -29 o  245.652   1.8710 17419.34  254.035 17531.05  426.736 17358.03  316.159  246.224   3.0019  245.080   2.2341 -0.000000 0.000000 
1 1 1    1    1  -29 o   41.144   5.8630  498.358  129.587  463.300  160.218  564.678  220.363   39.221   7.3429   43.066   9.1424 -3.844772 11.72609 
1 1 1    1    2  -29 o  131.099   1.7790  4967.32  132.645  4982.23  206.537  4956.85  173.052  131.251   2.7246  130.946   2.2882 0.3054504 3.558035 
1 1 1    1    3  -29 o   61.302   3.3664  1044.08  110.053  976.587  130.494  1210.32  204.803   58.063   3.8914   64.540   5.4944 -6.476372 6.732875 
1 1 1    1    4  -29 o  223.380   1.3843 14418.81  167.887 14426.26  292.501 14415.14  205.021  223.392   2.2671  223.367   1.5893 0.2577209E-01 2.768672 
1 1 1    1    5  -29 o   53.402   3.8159  828.927  117.301  743.589  164.152  917.973  167.680   50.578   5.6195   56.225   5.1637 -5.647297 7.631735 
1 1 1    1    6  -29 o  275.859   1.5652 22010.14  247.077 22089.79  328.261 21906.03  375.280  276.455   2.0559  275.264   2.3606 1.191315 3.130376 
1 1 1    1    7  -29 o   42.085   6.2574  538.482  147.267  510.075  205.750  568.323  210.877   40.908   8.9568   43.263   8.7406 -2.354607 12.51487 
1 1 1    1    8  -29 o  272.421   1.9536 21626.74  263.112 21779.33  302.688 21155.00  532.215  274.519   1.9091  270.322   3.4089 4.197144 3.907135 
1 1 1    1    9  -29 o  123.787   2.2889  4392.63  156.062  4297.15  192.543  4575.50  266.457  121.886   2.7352  125.688   3.6707 -3.802238 4.577703 
1 1 1    1   10  -29 o  120.910   2.7708  4109.18  159.487  4015.78  179.289  4463.31  349.112  117.832   2.6345  123.988   4.8753 -6.155838 5.541581 
1 1 1    1   11  -29 o  106.248   2.2599  3279.25  137.749  3379.97  186.097  3157.20  204.865  108.076   2.9815  104.421   3.3970 3.654526 4.519799 
1 1 1    1   12  -29 o   58.996   4.2728  1006.00  144.639  948.503  191.865  1081.68  220.138   57.078   5.8202   60.915   6.2573 -3.836979 8.545679 
1 1 1    1   13  -29 o   68.780   5.5414  1376.64  220.121   0.0000   0.0000  1376.64  220.121  ?   ?    68.780   5.5414      ?      ? 
1 1 1    1   14  -29 o   34.673   7.7319  335.732  163.736  421.435  292.342  296.560  197.644   37.688   11.959   31.657   9.8029 6.030668 15.46373 
1 1 1    1   15  -29 o   44.421   5.8847  600.867  145.546  413.932  203.962  794.824  207.758   36.722   9.5332   52.120   6.9019 -15.39799 11.76933 
1 1 1    1   16  -29 o  277.850   1.8030 22336.18  289.324 22408.67  408.890 22263.49  409.444  278.302   2.5439  277.397   2.5557 0.9054871 3.605977 
1 1 1    1   17  -29 o   99.493   2.5788  2863.77  136.910  2853.03  164.555  2887.93  246.787   99.269   2.8702   99.716   4.2852 -0.4470139 5.157627 
1 1 1    1   18  -29 o   89.162   3.7119  2318.20  189.510  2308.93  287.026  2325.36  252.329   88.949   5.5872   89.375   4.8884 -0.4258270 7.423810 
1 1 1    1   19  -29 o   68.097   3.7207  1354.79  146.078  1274.95  207.816  1432.76  205.378   66.086   5.4448   70.107   5.0723 -4.020576 7.441397 
1 1 1    1   20  -29 o  138.307   2.3539  5404.21  143.920  5775.87  346.114  5326.52  158.250  140.913   4.2529  135.702   2.0192 5.210754 4.707863 
1 1 1    1   21  -29 o  102.453   3.1664  3046.92  166.553  3083.44  320.429  3033.41  194.958  102.664   5.4042  102.242   3.3016 0.4219360 6.332899 
1 1 1    1   22  -29 o   38.332   5.4743  451.081  116.978  431.275  162.523  472.371  168.502   37.434   7.7717   39.231   7.7118 -1.797642 10.94856 
1 1 1    1   23  -29 o  104.969   2.3067  3191.80  137.154  3248.28  217.055  3154.26  176.959  105.680   3.5562  104.258   2.9389 1.422676 4.613423 
1 1 1    1   24  -29 o   55.653   4.5474  956.227  137.141  792.591  225.840  1051.82  172.610   51.436   7.6024   59.871   4.9919 -8.434887 9.094760 
1 1 1    1   25  -29 o   17.961   6.0378 -271.6570  170.485 -282.0562  247.336 -262.2440  235.316   18.126   8.6251   17.795   8.4513 0.3317909 12.07550 
1 1 1    1   26  -29 o   53.491   3.6338  860.527  109.910  954.243  146.989  741.676  165.531   57.001   4.4650   49.981   5.7344 7.019508 7.267669 
1 1 1    1   27  -29 o   89.844   3.7756  2369.00  159.822  2348.58  179.825  2445.77  348.681   89.647   3.4732   90.040   6.7051 -0.3931274 7.551250 
1 1 1    1   28  -29 o  115.640   2.7621  3811.50  146.038  4128.78  336.295  3737.76  162.122  117.913   4.9382  113.367   2.4761 4.546516 5.524245 
1 1 1    1   29  -29 o   78.218   3.0402  1829.30  135.312  1944.32  180.456  1681.55  204.514   81.246   3.8458   75.189   4.7096 6.057152 6.080302 
1 1 1    1   30  -29 o   33.325   6.2360  396.076  136.293  563.226  175.958  145.379  215.492   41.862   7.5559   24.789   9.9228 17.07318 12.47208 
1 1 1    1   31  -29 o   71.316   5.3540  1763.91  158.839  1856.20  176.282  1365.59  366.225   79.157   3.8560   63.476   9.9897 15.68071 10.70808 
1 1 1    1   32  -29 o   41.208   5.4441  574.536  118.225  622.339  146.402  484.926  200.445   45.081   5.6230   37.335   9.3238 7.745125 10.88814 
1 1 1    1   33  -29 f   38.313   7.2772  513.438  148.153  574.055  305.168  494.746  169.464   38.132   12.232   38.493   7.8877 -0.3614922 14.55437 
1 1 1    1   34  -29 o   38.539   5.1309  488.595  110.948  530.801  151.788  440.177  162.576   41.055   6.4016   36.024   8.0203 5.031242 10.26183 
1 1 1    1   35  -29 o   25.728   6.1757  220.493  104.770  240.965  185.158  210.852  127.070   26.484   9.5108   24.972   7.8805 1.511539 12.35144 
1 1 1    1   36  -29 o   40.454   7.7227  473.363  142.595  382.421  154.258  1007.48  373.839   33.009   8.1421   47.898   13.125 -14.88831 15.44534 
1 1 1    1   37  -29 o   15.992   5.0810 -17.6535   97.308   21.441  120.655 -90.3947  164.581   16.248   7.0217   15.736   7.3459 0.5116215 10.16201 
1 1 1    1    0  -30 o   26.797   9.5117  284.107  200.341  460.852  281.752  103.360  284.924   33.160   14.307   20.434   12.538 -0.000000 0.000000 
1 1 1    1    1  -30 o  162.746   2.0516  7596.59  174.954  7821.35  327.292  7506.67  207.012  164.352   3.4481  161.139   2.2244 3.213058 4.103282 
1 1 1    1    2  -30 o   85.909   3.2264  2127.16  156.812  2073.06  201.203  2210.85  250.274   84.565   4.1196   87.253   4.9665 -2.688683 6.452711 
1 1 1    1    3  -30 o  334.710   1.4389 32415.51  274.956 32605.91  362.978 32159.16  421.174  335.889   1.8711  333.531   2.1865 2.358093 2.877783 
1 1 1    1    4  -30 o   29.351   7.3333  204.983  134.161  185.712  151.654  274.362  287.751   25.858   8.6431   32.845   11.849 -6.987032 14.66660 
1 1 1    1    5  -30 f  189.624   1.6433 10363.09  175.597 10245.79  224.306 10548.77  282.214  188.268   2.0629  190.980   2.5586 -2.712006 3.286644 
1 1 1    1    6  -30 o   67.745   4.2673  1343.87  153.899  1355.28  185.255  1318.44  276.469   68.327   4.6945   67.163   7.1274 1.164574 8.534548 
1 1 1    1    7  -30 o   59.021   3.9269  993.443  132.454  833.313  174.479  1211.24  203.484   53.511   5.6456   64.530   5.4599 -11.01910 7.853875 
1 1 1    1    8  -30 o   37.666   6.3873  477.242  144.461  192.777  247.348  624.506  177.967   29.083   10.899   46.248   6.6628 -17.16503 12.77462 
1 1 1    1    9  -30 o  116.764   2.9726  3943.88  186.204  3925.17  224.742  3984.83  332.535  116.420   3.3425  117.107   4.9166 -0.6865082 5.945216 
1 1 1    1   10  -30 o   54.321   4.7680  880.804  145.398  769.330  225.268  960.404  190.358   51.223   7.6147   57.419   5.7402 -6.196732 9.535923 
1 1 1    1   11  -30 o  121.071   2.9888  4259.25  192.135  4239.63  348.246  4267.83  230.371  120.753   4.9935  121.389   3.2860 -0.6360626 5.977644 
1 1 1    1   12  -30 o  143.648   1.8700  5971.54  151.473  5966.75  241.884  5974.63  194.285  143.569   2.9172  143.726   2.3406 -0.1574402 3.740061 
1 1 1    1   13  -30 o  144.527   2.5713  6049.28  207.543  6029.64  261.851  6082.48  340.377  144.285   3.1423  144.770   4.0710 -0.4847565 5.142644 
1 1 1    1   14  -30 o   22.007   6.9408 -133.9347  175.659   35.918  287.684 -234.9063  221.809   26.249   11.076   17.766   8.3675 8.482983 13.88167 
1 1 1    1   15  -30 o   35.631   7.6295  387.569  152.270  387.569  152.270   0.0000   0.0000   35.631   7.6295  ?   ?       ?      ? 
1 1 1    1   16  -30 o  107.318   2.3244  3318.76  141.734  3449.02  223.187  3230.72  183.482  109.038   3.5441  105.599   3.0085 3.439934 4.648824 
1 1 1    1   17  -30 o  105.345   2.7272  3226.02  134.786  3227.90  151.569  3218.88  294.695  105.598   2.4852  105.092   4.8553 0.5055618 5.454380 
1 1 1    1   18  -30 o   51.009   6.9661  750.951  187.328  984.094  336.806  646.526  225.409   56.171   10.774   45.847   8.8333 10.32468 13.93218 
1 1 1    1   19  -30 o   45.636   4.7006  610.335  122.109  635.151  191.034  593.192  158.781   46.345   7.1371   44.928   6.1192 1.417007 9.401258 
1 1 1    1   20  -30 o   16.389   5.4396 -166.9794  125.294 -181.5276  207.342 -158.6112  157.254   17.700   8.2568   15.078   7.0838 2.622809 10.87910 
1 1 1    1   21  -30 o   32.875   6.7255  337.169  134.904  346.960  184.716  325.977  197.492   33.309   9.2648   32.441   9.7515 0.8681335 13.45092 
1 1 1    1   22  -30 o   12.487   4.4335 -492.2888  127.317 -540.2112  162.736 -416.6746  204.416   10.729   5.4229   14.245   7.0154 -3.515758 8.867047 
1 1 1    1   23  -30 o   34.108   5.8950  365.649  115.244  332.216  159.630  402.045  166.551   32.463   8.4367   35.753   8.2356 -3.289665 11.78996 
1 1 1    1   24  -30 o   18.850   8.1449  -2.7331  162.301  -2.7331  162.301   0.0000   0.0000   18.850   8.1449  ?   ?       ?      ? 
1 1 1    1   25  -30 o   54.608   3.4844  884.984  109.448  815.805  157.280  949.939  152.401   52.461   5.1910   56.755   4.6494 -4.293827 6.968779 
1 1 1    1   26  -30 o   79.304   2.6742  1885.67  118.121  1675.49  187.837  2023.15  151.920   75.378   4.3147   83.231   3.1604 -7.853027 5.348378 
1 1 1    1   27  -30 o   25.751   6.5006  204.418  121.488  -6.7114  270.560  257.737  135.965   23.233   10.265   28.268   7.9792 -5.035412 13.00126 
1 1 1    1   28  -30 o   40.297   6.7031  553.956  153.657  609.393  209.007  488.750  226.675   42.975   8.7190   37.620   10.184 5.355442 13.40622 
1 1 1    1   29  -30 o   36.542   6.0438  446.686  125.310  426.536  175.746  467.523  178.721   35.641   8.6299   37.442   8.4636 -1.801270 12.08754 
1 1 1    1   30  -30 o   24.195   6.4277  165.807  127.011  237.380  165.979   64.680  197.294   26.835   9.0418   21.554   9.1382 5.280968 12.85537 
1 1 1    1   31  -30 o   60.038   3.6753  1081.65  126.118  1324.46  189.945  890.208  168.662   66.109   4.9749   53.966   5.4114 12.14291 7.350697 
1 1 1    1   32  -30 o   43.369   5.4411  616.600  131.404  776.922  191.982  475.290  180.240   49.551   6.7085   37.187   8.5684 12.36369 10.88216 
1 1 1    1   33  -30 o   33.971   7.6030  393.502  175.137  205.513  224.713  684.383  279.525   25.864   10.203   42.077   11.274 -16.21298 15.20604 
1 1 1    1   34  -30 o   73.684   3.8419  1698.13  161.734  1910.27  224.742  1470.25  232.931   78.950   4.9288   68.418   5.8948 10.53220 7.683898 
1 1 1    1   35  -30 o   22.830   5.9240  164.877  103.292  119.549  141.033  217.321  151.702   20.695   8.1086   24.965   8.6386 -4.270594 11.84798 
1 1 1    1   36  -30 o   13.756   4.9026 -388.6284  136.565 -422.2324  274.293 -377.5532  157.469   16.160   7.9902   11.352   5.6831 4.807639 9.805179 
1 1 1    1    0  -31 o  100.739   3.3794  2957.40  191.294  2950.66  246.120  2967.67  304.027  100.696   4.2492  100.783   5.2559 -0.000000 0.000000 
1 1 1    1    1  -31 o   23.977   7.0591   66.967  145.780  112.607  164.263 -102.2936  316.331   23.205   8.8399   24.748   11.008 -1.542833 14.11830 
1 1 1    1    2  -31 o  149.165   2.4597  6561.12  173.622  6649.76  196.477  6245.25  370.905  151.646   2.2433  146.683   4.3782 4.962982 4.919487 
1 1 1    1    3  -31 o   25.231   7.2985   74.241  166.162   66.412  214.499   85.988  262.752   23.932   9.7826   26.530   10.834 -2.598366 14.59704 
1 1 1    1    4  -31 o   89.434   2.6603  2317.03  137.142  2292.92  187.725  2344.63  200.833   88.945   3.6544   89.923   3.8671 -0.9776382 5.320603 
1 1 1    1    5  -31 o  100.343   2.1895  2907.84  126.646  2801.03  172.761  3031.93  186.203   98.360   3.0412  102.325   3.1508 -3.964157 4.379070 
1 1 1    1    6  -31 o   98.482   3.3215  2812.00  158.002  2806.77  179.569  2829.94  332.522   98.448   3.1582   98.516   5.8443 -0.6720734E-01 6.643002 
1 1 1    1    7  -31 o   67.785   3.0840  1333.33  120.685  1366.12  173.709  1302.73  167.793   68.588   4.3852   66.982   4.3374 1.606140 6.167910 
1 1 1    1    8  -31 o   93.431   3.3638  2546.42  163.071  2557.36  192.526  2518.63  306.765   93.928   3.5490   92.935   5.7154 0.9935608 6.727612 
1 1 1    1    9  -31 o   64.775   5.5218  1278.34  188.532  1352.03  228.594  1121.61  333.389   68.067   5.8149   61.483   9.3888 6.584267 11.04366 
1 1 1    1   10  -31 o  153.930   2.6048  6924.01  206.779  6757.02  391.650  6988.55  243.480  152.479   4.4474  155.381   2.7132 -2.901627 5.209643 
1 1 1    1   11  -31 o   78.506   3.9678  1787.44  167.879  1830.56  298.026  1767.40  203.182   79.049   6.5279   77.964   4.5124 1.084984 7.935668 
1 1 1    1   12  -31 o  218.606   2.2764 13841.30  285.809 13943.48  428.012 13759.08  383.957  219.293   3.3795  217.920   3.0507 1.372955 4.552749 
1 1 1    1   13  -31 o   52.101   5.0606  799.798  152.127  773.720  217.441  824.802  212.912   51.242   7.3474   52.961   6.9608 -1.718811 10.12111 
1 1 1    1   14  -31 o  164.724   1.7388  7854.43  165.413  7871.37  235.371  7837.89  232.514  164.897   2.4715  164.550   2.4466 0.3470154 3.477658 
1 1 1    1   15  -31 o   28.887   6.4586  247.615  120.700  253.658  169.917  241.460  171.484   29.149   9.0998   28.626   9.1677 0.5230541 12.91716 
1 1 1    1   16  -31 o  174.973   2.0338  8724.38  182.375  8553.49  212.420  9203.57  355.705  171.920   2.1394  178.025   3.4596 -6.105164 4.067613 
1 1 1    1   17  -31 o   16.213   5.7146 -557.4107  181.222 -629.7205  335.619 -527.6515  215.307   18.626   9.1362   13.800   6.8669 4.825476 11.42910 
1 1 1    1   18  -31 o   46.057   5.2106  643.250  129.748  651.730  163.400  628.779  213.454   47.027   6.0161   45.086   8.5093 1.941212 10.42125 
1 1 1    1   19  -31 o   57.118   4.1424  962.984  136.524  1007.61  192.818  918.117  193.332   58.476   5.7093   55.760   6.0034 2.716206 8.284754 
1 1 1    1   20  -31 o  150.930   1.9349  6594.01  167.856  6431.93  225.382  6795.90  251.535  148.885   2.6211  152.974   2.8470 -4.088837 3.869854 
1 1 1    1   21  -31 o   64.595   3.0233  1200.13  110.557  1118.16  140.993  1330.98  178.145   61.850   3.9471   67.339   4.5806 -5.489063 6.046576 
1 1 1    1   22  -31 o   28.758   6.3560  252.306  117.698  203.983  159.021  310.846  175.027   26.243   8.8502   31.273   9.1251 -5.030777 12.71194 
1 1 1    1   23  -31 o   69.733   3.2291  1438.38  128.490  1466.80  170.162  1400.69  195.987   70.656   4.1699   68.810   4.9316 1.845634 6.458277 
1 1 1    1   24  -31 o   91.747   3.6099  2529.81  158.478  2453.45  332.995  2552.17  180.193   90.079   6.4007   93.414   3.3400 -3.334625 7.219704 
1 1 1    1   25  -31 f   91.127   2.4820  2438.74  130.339  2469.46  179.175  2404.21  189.949   91.790   3.3799   90.464   3.6356 1.325531 4.963983 
1 1 1    1   26  -31 o   93.699   2.8162  2550.82  148.338  2412.34  187.154  2784.83  243.278   90.543   3.5790   96.854   4.3491 -6.310379 5.632394 
1 1 1    1   27  -31 o   18.018   5.7199 -45.5491  124.878   13.194  160.126 -136.7384  199.505   18.679   8.0805   17.358   8.0977 1.320751 11.43976 
1 1 1    1   28  -31 o   42.344   5.4270  578.455  128.821  699.064  187.724  471.111  177.100   47.211   6.8849   37.478   8.3909 9.732628 10.85398 
1 1 1    1   29  -31 o   63.169   3.4891  1212.18  126.697  1304.99  176.246  1112.93  182.257   65.852   4.6341   60.487   5.2172 5.364658 6.978107 
1 1 1    1   30  -31 o   35.627   6.4950  423.795  130.395  542.799  219.663  359.044  162.031   38.969   9.7765   32.285   8.5533 6.683582 12.98995 
1 1 1    1   31  -31 o   19.049   6.5200 -329.5116  219.921 -289.3797  297.750 -377.6873  326.227   19.010   9.1554   19.088   9.2854 -0.7842827E-01 13.03992 
1 1 1    1   32  -31 o   17.827   6.0844 -268.3657  154.993 -365.1296  181.450  -7.2114  298.090   12.951   6.4205   22.704   10.337 -9.752743 12.16881 
1 1 1    1   33  -31 o   56.596   4.6542  1018.18  145.001  1078.13  246.628  986.514  179.254   56.984   7.4938   56.208   5.5219 0.7762299 9.308492 
1 1 1    1   34  -31 o   53.648   4.6434  875.024  138.404  713.928  169.720  1194.84  239.133   47.067   6.2436   60.228   6.8747 -13.16150 9.286716 
1 1 1    1    0  -32 o   18.395   7.8006   47.987  157.876 -91.7256  211.508  223.767  237.242   13.700   9.2385   23.090   12.572 -0.000000 0.000000 
1 1 1    1    1  -32 o   62.402   4.0172  1147.60  137.455  1173.46  170.696  1099.89  231.827   63.520   4.6529   61.284   6.5499 2.236443 8.034337 
1 1 1    1    2  -32 f   45.227   5.6255  669.813  125.906  491.610  229.875  746.182  150.485   39.843   10.004   50.611   5.1483 -10.76727 11.25109 
1 1 1    1    3  -32 o   74.730   3.2942  1596.82  138.560  1744.69  226.650  1508.58  175.089   77.395   5.0705   72.064   4.2068 5.330948 6.588449 
1 1 1    1    4  -32 o   18.483   5.7200 -71.3157  126.001 -309.0955  211.004   60.463  157.082   16.060   7.7276   20.906   8.4354 -4.846546 11.43992 
1 1 1    1    5  -32 o   63.119   4.4546  1287.21  131.714  955.193  264.845  1396.31  151.820   56.874   8.0629   69.364   3.7898 -12.48930 8.909101 
1 1 1    1    6  -32 o   28.110   6.9573  215.054  148.773  317.078  172.571 -80.2218  293.584   32.194   8.9552   24.026   10.650 8.168127 13.91453 
1 1 1    1    7  -32 o  112.154   2.2533  3647.63  144.527  3633.22  220.102  3658.55  191.627  111.930   3.4048  112.378   2.9525 -0.4486465 4.506650 
1 1 1    1    8  -32 o   36.342   6.2768  416.584  130.038  463.959  168.544  346.905  204.403   38.990   7.7576   33.693   9.8698 5.297768 12.55361 
1 1 1    1    9  -32 o  163.255   2.2551  7788.31  181.937  7846.37  209.317  7608.91  367.942  164.680   2.2008  161.829   3.9367 2.851059 4.510152 
1 1 1    1   10  -32 o   64.882   5.4760  1248.32  183.443  1239.77  347.188  1251.63  216.065   64.370   9.3389   65.394   5.7209 -1.023750 10.95191 
1 1 1    1   11  -32 o  114.138   2.4929  3802.27  147.170  3737.37  277.898  3827.57  173.497  113.318   4.2462  114.957   2.6132 -1.638870 4.985859 
1 1 1    1   12  -32 o   48.987   7.7214  746.759  186.698  730.634  393.032  751.458  212.163   47.578   13.614   50.395   7.2895 -2.816650 15.44284 
1 1 1    1   13  -32 o  100.281   2.7628  2927.32  159.911  2881.65  229.186  2970.65  223.229   99.503   3.9881  101.060   3.8246 -1.556656 5.525630 
1 1 1    1   14  -32 o   57.588   4.5238  1041.53  138.362  790.741  229.759  1184.22  173.311   51.514   7.7226   63.661   4.7138 -12.14706 9.047502 
1 1 1    1   15  -32 o  256.063   1.6563 18961.29  238.572 19139.90  384.453 18849.44  304.236  256.951   2.5906  255.174   2.0644 1.776871 3.312560 
1 1 1    1   16  -32 o   26.916   7.0882  176.701  147.084  222.472  220.943  140.274  197.107   28.709   10.379   25.123   9.6564 3.586382 14.17644 
1 1 1    1   17  -32 o  125.650   2.0597  4636.97  142.478  4762.72  177.902  4412.05  237.931  128.169   2.4033  123.131   3.3458 5.038010 4.119479 
1 1 1    1   18  -32 o   63.140   3.7384  1227.89  125.219  1326.98  153.698  1032.29  215.943   67.389   3.9490   58.892   6.3489 8.497330 7.476871 
1 1 1    1   19  -32 o  122.389   2.4454  4369.93  172.825  4314.29  245.671  4424.45  243.172  121.603   3.4980  123.174   3.4183 -1.571167 4.890891 
1 1 1    1   20  -32 o  120.631   2.6197  4250.42  174.084  4277.06  294.421  4236.10  215.860  120.689   4.2239  120.572   3.0999 0.1176682 5.239322 
1 1 1    1   21  -32 o   16.086   5.6499 -419.4796  157.512 -427.4386  182.634 -396.3713  311.200   12.779   6.3532   19.392   9.3446 -6.612962 11.29974 
1 1 1    1   22  -32 o   46.583   5.2829  668.591  142.060  671.389  198.171  665.632  203.750   46.733   7.3422   46.433   7.5978 0.3003807 10.56572 
1 1 1    1   23  -32 o   54.538   3.8171  906.868  117.678  984.911  156.095  804.111  179.114   57.551   4.6962   51.525   6.0190 6.026024 7.634293 
1 1 1    1   24  -32 o   60.514   3.2561  1090.98  113.775  1102.85  162.909  1079.67  158.967   60.822   4.6377   60.206   4.5717 0.6158600 6.512185 
1 1 1    1   25  -32 o   81.528   2.9561  1969.95  138.899  2054.14  204.523  1897.88  189.233   83.095   4.2617   79.960   4.0977 3.134361 5.912105 
1 1 1    1   26  -32 o   64.875   3.9828  1286.87  148.992  1245.68  214.287  1325.41  207.301   63.749   5.8202   66.001   5.4384 -2.251442 7.965550 
1 1 1    1   27  -32 o   46.982   6.1504  743.620  160.221  727.020  217.076  763.485  237.467   46.644   8.3653   47.320   9.0183 -0.6758270 12.30078 
1 1 1    1   28  -32 o   30.443   6.3124  338.235  120.442  223.364  215.286  390.567  145.310   26.602   10.124   34.284   7.5434 -7.681993 12.62489 
1 1 1    1   29  -32 o   17.590   5.5403 -28.4976  110.447 -73.1277  139.743   45.780  180.279   15.083   6.9458   20.097   8.6334 -5.013568 11.08064 
1 1 1    1   30  -32 o   54.481   5.5801  920.339  175.579   0.0000   0.0000  920.339  175.579  ?   ?    54.481   5.5801      ?      ? 
1 1 1    1   31  -32 o   56.780   5.7641  1072.15  177.988  1146.03  309.205  1035.54  217.666   56.821   9.4222   56.739   6.6424 0.8216476E-01 11.52816 
1 1 1    1   32  -32 o   16.430   7.6934 -105.2252  182.834 -105.2252  182.834   0.0000   0.0000   16.430   7.6934  ?   ?       ?      ? 
1 1 1    1    0  -33 o   70.240   5.4658  1459.22  218.641   0.0000   0.0000  1459.22  218.641   70.240   5.4658   70.240   5.4658 -0.000000 0.000000 
1 1 1    1    1  -33 o   47.454   4.4898  670.816  120.974  729.589  161.868  596.455  182.074   49.930   5.6132   44.979   7.0090 4.951267 8.979646 
1 1 1    1    2  -33 o   74.108   3.2607  1609.88  134.872  1638.51  170.998  1562.74  219.399   75.076   3.9437   73.141   5.1938 1.934540 6.521415 
1 1 1    1    3  -33 o   20.257   6.1087 -131.1965  144.674  149.571  209.061 -389.2146  200.412   26.103   9.9658   14.412   7.0673 11.69096 12.21741 
1 1 1    1    4  -33 o  106.627   1.7121  3294.11  105.320  3351.36  146.321  3232.56  151.715  107.597   2.3546  105.658   2.4862 1.939171 3.424272 
1 1 1    1    5  -33 o   14.374   7.1003 -661.2291  135.511 -467.4019  214.844 -789.2855  174.629   14.374   7.1003  ?   ?       ?      ? 
1 1 1    1    6  -33 o   74.757   3.8494  1613.26  139.846  1593.97  159.015  1679.11  293.803   74.057   3.7178   75.458   6.7417 -1.400780 7.698828 
1 1 1    1    7  -33 o   52.033   4.5877  779.665  133.838  872.143  222.058  726.905  167.726   54.303   7.0804   49.764   5.8358 4.538227 9.175447 
1 1 1    1    8  -33 o   88.749   3.4541  2301.12  176.322  2309.54  261.577  2294.12  238.704   88.851   5.0975   88.647   4.6624 0.2033844 6.908112 
1 1 1    1    9  -33 f   37.334   7.2109  473.764  162.773  244.800  297.474  571.617  194.470   31.560   11.926   43.109   8.1085 -11.54896 14.42174 
1 1 1    1   10  -33 f  127.406   2.4301  4783.85  141.875  4609.66  317.206  4827.42  158.625  125.679   4.3701  129.132   2.1269 -3.452713 4.860212 
1 1 1    1   11  -33 o   34.042   6.8153  342.752  135.492  286.244  167.722  448.905  229.880   30.451   8.9463   37.634   10.284 -7.183626 13.63053 
1 1 1    1   12  -33 o   18.601   6.3731 -353.4935  189.979 -683.6028  381.085 -244.3224  219.153   19.926   9.7661   17.276   8.1909 2.649364 12.74622 
1 1 1    1   13  -33 o   19.903   6.2463 -62.5992  144.311 -122.9187  199.391   3.7558  209.129   18.237   8.3605   21.568   9.2827 -3.330997 12.49260 
1 1 1    1   14  -33 o  131.422   2.7632  5140.45  175.339  4862.46  362.989  5225.06  200.250  128.654   4.8852  134.189   2.5839 -5.535645 5.526465 
1 1 1    1   15  -33 f   35.251   6.1252  382.906  118.620  359.610  145.247  429.561  205.550   33.907   7.6045   36.595   9.6044 -2.687668 12.25040 
1 1 1    1   16  -33 o  178.163   1.7386  9223.61  175.775  9267.70  228.597  9159.84  274.934  178.771   2.2141  177.555   2.6811 1.216537 3.477109 
1 1 1    1   17  -33 o   21.137   6.8436 -123.6187  144.940   61.400  331.361 -167.3927  161.177   27.276   11.711   14.999   7.0851 12.27715 13.68720 
1 1 1    1   18  -33 o   80.517   2.9093  1863.50  133.200  2142.11  212.186  1682.30  171.118   85.308   4.3067   75.726   3.9126 9.582863 5.818570 
1 1 1    1   19  -33 o   76.141   3.3353  1724.71  145.958  1570.84  209.602  1869.57  203.371   72.715   4.9910   79.567   4.4256 -6.851868 6.670510 
1 1 1    1   20  -33 o   52.992   3.5865  833.210  109.207  723.942  149.116  959.611  160.381   49.206   5.2472   56.779   4.8908 -7.573364 7.173069 
1 1 1    1   21  -33 o   31.217   6.6789  329.305  131.936  371.384  171.326  267.987  206.816   33.464   8.7615   28.970   10.083 4.494419 13.35776 
1 1 1    1   22  -33 o   37.727   6.7096  534.262  144.697  304.709  289.344  610.813  167.090   30.909   11.743   44.544   6.4950 -13.63450 13.41912 
1 1 1    1   23  -33 o   24.608   6.6497  140.262  133.838  278.890  210.798   46.638  173.234   29.012   10.175   20.205   8.5643 8.807444 13.29947 
1 1 1    1   24  -33 o   49.985   5.4402  847.446  127.839  720.044  249.806  892.650  148.800   45.482   9.7992   54.488   4.7285 -9.005936 10.88033 
1 1 1    1   25  -33 o   78.648   2.9509  1841.59  133.799  1702.69  183.945  1997.65  194.977   75.479   4.2196   81.816   4.1263 -6.337273 5.901819 
1 1 1    1   26  -33 o   13.507   6.7617 -614.2453  136.916 -657.8170  173.470 -542.2562  222.975  ?   ?    13.507   6.7617      ?      ? 
1 1 1    1   27  -33 o   48.389   5.6218  814.593  143.857  598.279  223.421  967.784  188.018   40.932   9.6145   55.846   5.8294 -14.91318 11.24366 
1 1 1    1   28  -33 o   23.685   6.7857  141.309  144.033   90.627  191.688  207.029  218.279   21.627   9.0792   25.742   10.087 -4.115414 13.57148 
1 1 1    1   29  -33 o   59.841   3.5230  1092.47  120.050  1058.51  156.320  1141.30  187.437   58.984   4.5887   60.698   5.3468 -1.713528 7.045921 
1 1 1    1   30  -33 o   35.605   6.1395  457.451  125.418  417.474  178.798  496.174  175.971   33.747   9.0061   37.464   8.3466 -3.717468 12.27905 
1 1 1    1   31  -33 o   70.393   5.1394  1694.59  173.417  1734.76  199.901  1572.39  348.639   75.078   4.6102   65.708   9.1870 9.369713 10.27881 
1 1 1    1    0  -34 o   9.8053   7.0975 -412.0614  213.258   0.0000   0.0000 -412.0614  213.258   9.8053   7.0975   9.8053   7.0975 -0.000000 0.000000 
1 1 1    1    1  -34 o   67.354   3.0722  1331.52  117.491  1366.37  153.929  1282.87  181.855   68.487   3.8916   66.220   4.7550 2.267418 6.144457 
1 1 1    1    2  -34 o   29.196   7.3933  189.497  140.754  135.465  161.741  358.116  285.724   23.709   8.8278   34.683   11.862 -10.97378 14.78663 
1 1 1    1    3  -34 o  106.705   2.5101  3291.49  153.414  3158.20  202.604  3470.62  234.874  104.229   3.3657  109.181   3.7248 -4.951927 5.020149 
1 1 1    1    4  -34 o   36.688   7.3656  430.739  149.335  366.070  311.988  449.959  170.085   35.285   12.378   38.092   7.9865 -2.806850 14.73111 
1 1 1    1    5  -34 o  174.096   2.1770  8784.27  205.555  8860.90  359.378  8747.00  250.593  174.486   3.5662  173.706   2.4979 0.7794647 4.353973 
1 1 1    1    6  -34 o   44.709   7.2431  612.438  175.622  726.786  302.989  554.582  215.520   47.435   11.233   41.983   9.1470 5.451801 14.48619 
1 1 1    1    7  -34 o   63.621   4.8010  1204.19  176.388  1225.98  251.755  1183.18  247.208   64.186   6.7913   63.056   6.7881 1.129486 9.602077 
1 1 1    1    8  -34 o   17.298   5.7588 -255.6580  142.615 -371.3059  180.018 -60.7398  233.708   13.338   6.5716   21.258   9.4588 -7.920485 11.51755 
1 1 1    1    9  -34 o   90.371   3.3776  2485.24  138.692  2252.59  307.696  2544.56  155.370   87.152   6.1131   93.591   2.8744 -6.439690 6.755159 
1 1 1    1   10  -34 o   24.135   7.4527  -7.9552  192.273 -12.4125  308.185  -5.1146  246.025   25.320   11.078   22.951   9.9723 2.369234 14.90547 
1 1 1    1   11  -34 o   75.188   3.6055  1656.93  156.097  1827.65  230.922  1513.28  211.821   78.740   5.0779   71.636   5.1198 7.103386 7.210935 
1 1 1    1   12  -34 o   15.374   5.4294 -380.6045  128.705 -414.5263  144.726 -252.3317  281.432   10.683   5.3622   20.064   9.4425 -9.381255 10.85885 
1 1 1    1   13  -34 o   51.335   5.5993  686.214  146.664  1086.92  308.223  568.930  166.752   59.162   9.0206   43.508   6.6361 15.65387 11.19866 
1 1 1    1   14  -34 o   15.811   7.6052 -510.5655  124.615 -651.4683  157.409 -273.9863  203.966  ?   ?    15.811   7.6052      ?      ? 
1 1 1    1   15  -34 o   56.286   3.5884  946.142  115.627  994.451  156.260  887.680  171.899   58.003   4.6646   54.570   5.4542 3.432686 7.176816 
1 1 1    1   16  -34 o   24.238   6.4298  138.153  125.516  236.746  184.640   53.451  171.140   27.759   9.5346   20.717   8.6289 7.042210 12.85950 
1 1 1    1   17  -34 o   36.601   6.2580  475.220  136.224  262.332  230.630  589.288  168.820   29.272   10.601   43.931   6.6537 -14.65973 12.51596 
1 1 1    1   18  -34 o   41.483   7.4099  544.891  154.082  505.223  173.914  689.672  332.255   39.569   7.8869   43.396   12.547 -3.826702 14.81971 
1 1 1    1   19  -34 o   59.920   3.0444  1067.27  105.158  1143.84  149.041  991.360  148.393   62.119   4.1543   57.720   4.4514 4.398685 6.088760 
1 1 1    1   20  -34 o   34.925   7.0859  441.238  140.110  336.070  305.458  469.261  157.675   31.760   12.065   38.090   7.4343 -6.330511 14.17175 
1 1 1    1   21  -34 f   83.306   2.7075  2081.46  124.832  2151.32  157.350  1962.82  205.051   85.543   3.1849   81.070   4.3794 4.472511 5.415076 
1 1 1    1   22  -34 o   54.453   4.4226  946.737  134.016  762.815  203.785  1086.89  177.895   49.043   7.1947   59.864   5.1453 -10.82136 8.845232 
1 1 1    1   23  -34 o   40.343   6.7427  560.543  153.115  492.561  199.636  657.661  238.612   37.550   9.2629   43.135   9.8008 -5.585018 13.48539 
1 1 1    1   24  -34 o   35.999   7.2449  469.490  143.567  460.796  306.799  471.927  162.451   34.371   12.253   37.628   7.7338 -3.256584 14.48979 
1 1 1    1   25  -34 o   63.669   4.4016  1255.11  160.647  1141.10  211.957  1409.02  246.262   60.437   6.0724   66.901   6.3735 -6.464622 8.803158 
1 1 1    1   26  -34 o  135.046   2.2352  5394.38  168.620  5377.22  275.336  5404.68  213.299  134.472   3.5452  135.621   2.7232 -1.148941 4.470395 
1 1 1    1   27  -34 o   60.183   3.5919  1140.21  120.589  1247.79  157.202  986.391  187.971   64.281   4.2344   56.085   5.8031 8.195354 7.183704 
1 1 1    1   28  -34 o   24.459   7.1878  165.788  170.612   81.013  253.846  235.637  230.417   22.719   9.9942   26.199   10.333 -3.480577 14.37568 
1 1 1    1   29  -34 o   60.261   5.8774  1235.94  193.731  1383.48  336.043  1162.49  237.098   61.277   9.4953   59.245   6.9294 2.032822 11.75488 
1 1 1    1    0  -35 o  107.798   3.7451  3564.84  201.247  3110.13  383.754  3737.33  236.355  102.300   6.5570  113.296   3.6205 -0.000000 0.000000 
1 1 1    1    1  -35 o   12.198   4.3289 -545.7458  134.156 -690.2094  200.725 -429.1154  180.355   11.690   5.9215   12.706   6.3162 -1.015985 8.657875 
1 1 1    1    2  -35 o   80.458   3.5601  1964.78  156.814  2116.51  197.800  1708.08  257.283   85.056   4.0266   75.859   5.8724 9.196953 7.120288 
1 1 1    1    3  -35 o   21.539   6.6018   1.6584  147.999   6.3094  187.836  -5.9560  240.342   20.461   8.8018   22.616   9.8418 -2.155329 13.20355 
1 1 1    1    4  -35 o   99.664   3.9531  2979.23  208.552  3037.72  250.980  2848.74  374.857  101.792   4.2691   97.535   6.6546 4.257256 7.906240 
1 1 1    1    5  -35 o   20.255   6.2025   10.581  123.747   28.409  145.984 -34.9331  233.254   18.890   7.9263   21.619   9.5423 -2.729490 12.40494 
1 1 1    1    6  -35 o  148.928   1.9904  6377.42  160.579  6244.93  194.789  6658.46  283.688  146.714   2.2988  151.143   3.2499 -4.428558 3.980754 
1 1 1    1    7  -35 o   28.571   7.6255  198.455  160.573  160.317  192.121  286.830  292.458   25.326   9.5812   31.815   11.866 -6.488707 15.25110 
1 1 1    1    8  -35 o   86.279   4.2963  2349.00  147.394  2049.34  379.286  2402.30  159.967   81.754   8.0329   90.805   3.0503 -9.051300 8.592560 
1 1 1    1    9  -35 o   15.114   5.1647 -292.2347  137.360 -370.5394  193.596 -212.8512  194.925   14.021   6.8897   16.208   7.6960 -2.187279 10.32940 
1 1 1    1   10  -35 o   29.746   6.9732  250.641  140.199  400.980  226.378  157.101  178.566   34.851   10.432   24.642   9.2557 10.20897 13.94634 
1 1 1    1   11  -35 o   29.122   7.0427  253.686  147.150  355.839  209.298  153.838  206.924   32.927   10.070   25.317   9.8487 7.609896 14.08549 
1 1 1    1   12  -35 o   99.816   2.9096  2932.41  167.606  3015.50  242.876  2856.87  231.589  101.144   4.1578   98.489   4.0714 2.655075 5.819236 
1 1 1    1   13  -35 o   37.636   7.3659  473.325  167.445  604.420  249.361  365.670  225.971   42.211   10.316   33.062   10.517 9.149460 14.73185 
1 1 1    1   14  -35 o   72.039   3.3201  1540.42  136.266  1521.92  178.271  1566.42  211.339   71.689   4.3057   72.389   5.0550 -0.7007904 6.640198 
1 1 1    1   15  -35 o   43.573   5.3548  609.195  129.748  708.028  180.415  503.321  186.730   48.042   6.5022   39.104   8.5099 8.938377 10.70968 
1 1 1    1   16  -35 f   66.261   4.2879  1306.05  150.574  1253.73  178.971  1432.81  278.573   64.733   4.7871   67.788   7.1154 -3.055595 8.575846 
1 1 1    1   17  -35 o   17.283   8.5539 -776.4844  152.438 -831.7274  173.833 -592.5823  317.166  ?   ?    17.283   8.5539      ?      ? 
1 1 1    1   18  -35 o   43.024   4.9676  581.353  119.478  706.705  178.258  479.107  160.993   47.722   6.4677   38.327   7.5416 9.394409 9.935161 
1 1 1    1   19  -35 o   24.611   7.0165  136.960  158.992   26.414  229.335  239.257  220.614   21.763   9.5384   27.458   10.293 -5.694878 14.03305 
1 1 1    1   20  -35 o   94.390   3.4479  2675.27  181.585  2766.16  299.568  2622.48  228.310   95.117   5.4532   93.662   4.2206 1.454903 6.895715 
1 1 1    1   21  -35 o   38.193   6.2684  507.726  150.023  234.013  210.871  788.260  213.482   26.908   10.068   49.478   7.4708 -22.56927 12.53685 
1 1 1    1   22  -35 o   62.001   4.0856  1194.04  142.288  1169.59  227.187  1209.82  182.519   60.962   6.4527   63.040   5.0131 -2.078171 8.171210 
1 1 1    1   23  -35 o   20.210   6.4783 -165.4706  150.818  214.196  282.613 -316.6491  178.335   27.057   11.164   13.363   6.5758 13.69388 12.95658 
1 1 1    1   24  -35 o   57.898   3.6732  1012.83  121.148  924.897  156.537  1144.16  191.306   54.999   4.9281   60.797   5.4483 -5.798340 7.346413 
1 1 1    1   25  -35 o   30.243   6.6856  336.672  133.805  244.028  191.668  424.747  186.882   26.416   9.6491   34.070   9.2567 -7.653603 13.37125 
1 1 1    1   26  -35 o   37.047   6.9262  607.708  168.283  235.418  348.832  720.630  192.117   27.368   11.883   46.726   7.1190 -19.35794 13.85241 
1 1 1    1   27  -35 o   77.936   3.1772  1883.51  140.948  1695.51  210.387  2036.60  189.852   73.903   4.9292   81.969   4.0103 -8.066055 6.354467 
1 1 1    1    0  -36 o   40.004   9.7891  613.731  200.975  502.139  253.475  802.650  329.804   34.561   13.368   45.448   14.304 -0.000000 0.000000 
1 1 1    1    1  -36 o   37.054   6.9622  432.333  149.823  337.336  190.500  586.370  242.578   32.149   9.5578   41.958   10.126 -9.809464 13.92446 
1 1 1    1    2  -36 o   39.333   6.2114  503.404  137.930  432.530  195.324  573.900  194.803   36.292   9.2819   42.375   8.2566 -6.082714 12.42276 
1 1 1    1    3  -36 o   18.735   6.2909 -117.4661  136.404 -77.5796  147.786 -346.8992  354.445   15.905   7.2559   21.565   10.279 -5.659943 12.58180 
1 1 1    1    4  -36 o   14.952   5.2094 -403.8535  152.769 -426.4718  247.719 -389.9715  194.068   16.135   7.9008   13.770   6.7918 2.365273 10.41878 
1 1 1    1    5  -36 o  157.767   2.6102  7249.14  205.204  7193.82  236.303  7418.80  413.816  157.193   2.6029  158.340   4.5251 -1.146362 5.220322 
1 1 1    1    6  -36 o   57.303   7.5188  1095.20  243.113  1146.52  337.904  1040.12  350.046   59.538   9.8268   55.067   11.383 4.470917 15.03756 
1 1 1    1    7  -36 o   19.623   6.3722 -114.1690  163.791 -122.2912  220.664 -104.2034  244.424   18.910   8.7153   20.337   9.2985 -1.426945 12.74431 
1 1 1    1    8  -36 o   27.509   7.2727  216.595  154.737  237.359  232.729  200.144  207.158   28.399   10.586   26.618   9.9749 1.780542 14.54535 
1 1 1    1    9  -36 o   92.621   3.3882  2516.92  181.242   0.0000   0.0000  2516.92  181.242  ?   ?    92.621   3.3882      ?      ? 
1 1 1    1   10  -36 o   19.970   8.5792   24.088  178.029   24.088  178.029   0.0000   0.0000   19.970   8.5792  ?   ?       ?      ? 
1 1 1    1   11  -36 o   95.529   2.5822  2689.33  142.445  2727.09  200.827  2651.09  202.076   96.224   3.6137   94.834   3.6895 1.389549 5.164405 
1 1 1    1   12  -36 o   13.260   6.5211 -325.4509  174.512 -325.4509  174.512   0.0000   0.0000   13.260   6.5211  ?   ?       ?      ? 
1 1 1    1   13  -36 o   79.640   4.1117  1985.42  173.732  2078.06  211.564  1793.61  304.433   83.490   4.3876   75.789   6.9550 7.700844 8.223339 
1 1 1    1   14  -36 o   39.722   6.7202  549.259  152.080  590.245  204.628  498.687  227.302   41.913   8.7365   37.531   10.214 4.382694 13.44043 
1 1 1    1   15  -36 o   12.606   4.4991 -609.4011  149.064 -553.8945  225.748 -652.3120  198.488   13.622   6.8171   11.591   5.8732 2.031224 8.998211 
1 1 1    1   16  -36 o   36.650   5.9597  491.283  130.084  640.039  166.611  259.009  208.192   45.348   6.3616   27.952   10.080 17.39548 11.91936 
1 1 1    1   17  -36 o   20.617   5.8848   35.277  118.088 -107.6500  159.062  210.787  176.263   15.560   7.2493   25.674   9.2721 -10.11414 11.76969 
1 1 1    1   18  -36 o   60.788   5.6403  1260.28  155.709  1107.07  318.031  1308.59  178.577   55.744   10.256   65.831   4.6969 -10.08729 11.28064 
1 1 1    1   19  -36 o   22.055   6.7396   61.006  156.889   48.306  215.363   75.368  229.015   21.505   9.3372   22.605   9.7213 -1.099699 13.47911 
1 1 1    1   20  -36 o   20.321   6.5636 -20.1867  152.332   7.1077  173.859 -110.3819  316.048   18.771   8.2641   21.871   10.199 -3.099504 13.12727 
1 1 1    1   21  -36 o   62.510   6.4890  1473.69  183.779  1622.18  215.452  1077.05  352.121   72.710   5.1306   52.310   11.921 20.40018 12.97805 
1 1 1    1   22  -36 o   25.812   7.0338  204.127  152.434  102.023  209.136  319.849  222.647   22.299   9.4287   29.325   10.440 -7.025743 14.06756 
1 1 1    1   23  -36 o   55.594   5.3360  1030.50  171.022  1044.44  236.498  1015.22  247.609   56.245   7.2804   54.943   7.8031 1.302032 10.67202 
1 1 1    1   24  -36 o   24.177   6.8205  185.762  145.117  226.871  188.808  126.424  226.839   25.400   9.5220   22.954   9.7677 2.445473 13.64092 
1 1 1    1   25  -36 o   14.879   5.1153 -247.7071  140.260 -319.8041  206.838 -186.3307  190.841   14.417   7.0918   15.341   7.3736 -0.9241600 10.23051 
1 1 1    1    0  -37 o   16.095   7.8180 -197.8311  191.515 -317.4968  224.618  120.788  366.519   10.893   7.7910   21.297   13.557 -0.000000 0.000000 
1 1 1    1    1  -37 o   25.378   7.0342  166.373  143.174  170.585  172.466  157.035  256.801   24.504   9.1174   26.251   10.714 -1.746952 14.06842 
1 1 1    1    2  -37 o   34.935   7.9310  437.565  185.353  331.654  291.349  509.577  240.239   31.748   11.843   38.122   10.552 -6.374224 15.86203 
1 1 1    1    3  -37 o   23.563   7.0014   89.519  157.735   86.576  257.260   91.291  199.671   24.466   10.406   22.660   9.3695 1.805565 14.00272 
1 1 1    1    4  -37 o   56.160   4.1803  982.477  129.786  874.924  209.114  1049.86  165.525   53.117   6.8166   59.203   4.8410 -6.086475 8.360650 
1 1 1    1    5  -37 o   17.966   6.1513 -262.3882  173.515 -175.6871  197.865 -551.0422  361.032   16.634   7.8553   19.299   9.4682 -2.664877 12.30257 
1 1 1    1    6  -37 o   84.122   4.1137  2075.10  165.404  2011.31  186.413  2311.24  358.651   82.419   3.9162   85.826   7.2355 -3.407692 8.227303 
1 1 1    1    7  -37 o   37.269   7.5267  448.033  153.920  619.917  304.613  389.100  178.365   40.693   12.083   33.844   8.9777 6.849148 15.05347 
1 1 1    1    8  -37 o   56.512   3.8649  957.625  123.952  1037.30  197.200  905.584  159.371   58.219   5.8649   54.805   5.0350 3.413754 7.729702 
1 1 1    1    9  -37 o   25.367   7.0431  144.421  146.579   65.635  181.276  293.227  249.128   21.025   8.8279   29.708   10.977 -8.683664 14.08628 
1 1 1    1   10  -37 o  112.412   2.8219  3743.67  182.406  3629.66  245.261  3884.78  272.862  110.623   3.8388  114.201   4.1370 -3.578590 5.643710 
1 1 1    1   11  -37 f   12.627   4.5416 -703.2358  158.188 -636.9780  193.114 -838.3665  275.786   11.417   5.7861   13.838   7.0017 -2.420394 9.083125 
1 1 1    1   12  -37 o   27.574   7.3556  232.225  150.475  207.347  180.602  288.699  272.109   25.653   9.3670   29.495   11.344 -3.842058 14.71127 
1 1 1    1   13  -37 o   62.727   4.4249  1181.19  151.355  1365.16  268.331  1095.35  183.297   65.529   7.0901   59.924   5.2962 5.605106 8.849821 
1 1 1    1   14  -37 o   24.205   6.5265  160.226  133.508   46.735  196.385  257.750  182.048   20.858   8.9862   27.551   9.4672 -6.692787 13.05301 
1 1 1    1   15  -37 o   30.357   7.1155  318.615  142.185  389.653  231.157  275.379  180.335   32.506   10.662   28.209   9.4251 4.296940 14.23096 
1 1 1    1   16  -37 o   91.444   4.3524  2647.28  218.949  2736.70  275.037  2492.58  361.780   94.751   5.0260   88.136   7.1073 6.615349 8.704850 
1 1 1    1   17  -37 o   35.204   7.4891  464.113  158.587  462.336  190.388  468.142  286.608   36.078   9.1296   34.330   11.874 1.747990 14.97814 
1 1 1    1   18  -37 o   88.313   3.2449  2309.08  165.505  2309.08  165.505   0.0000   0.0000   88.313   3.2449  ?   ?       ?      ? 
1 1 1    1   19  -37 o   43.408   6.6260  681.614  161.295  623.784  231.878  735.828  224.511   41.046   9.8968   45.770   8.8129 -4.724026 13.25191 
1 1 1    1   20  -37 o   56.459   4.1883  1043.98  127.591  871.927  209.908  1144.79  160.682   51.625   7.0402   61.292   4.5392 -9.667286 8.376652 
1 1 1    1   21  -37 f   51.122   4.7256  807.622  132.915  1003.72  233.812  713.997  161.559   54.828   7.3837   47.416   5.8996 7.412243 9.451172 
1 1 1    1   22  -37 o   23.611   6.3131  147.467  130.551  332.068  190.496 -16.0138  179.268   29.299   9.6827   17.924   8.1033 11.37512 12.62612 
1 1 1    1    0  -38 o   8.1108   6.0199 -892.8075  246.004   0.0000   0.0000 -892.8075  246.004   8.1108   6.0199   8.1108   6.0199 -0.000000 0.000000 
1 1 1    1    1  -38 o   32.206   6.3814  364.007  126.003  429.397  168.929  282.005  189.173   35.662   8.3492   28.750   9.6531 6.911951 12.76285 
1 1 1    1    2  -38 o   26.548   6.8947  189.597  135.883  352.854  231.708  104.018  167.759   31.478   10.683   21.619   8.7193 9.858366 13.78938 
1 1 1    1    3  -38 o  146.510   2.3455  6357.90  195.733  6511.00  258.318  6151.50  299.939  148.864   3.0045  144.156   3.6026 4.708084 4.691056 
1 1 1    1    4  -38 o   18.432   6.1589 -180.0861  170.761 -296.5025  279.755 -110.9537  215.581   18.476   8.8922   18.389   8.5239 0.8717155E-01 12.31779 
1 1 1    1    5  -38 o   39.322   8.1594  627.636  213.509  775.148  264.729  353.117  361.139   46.750   10.100   31.895   12.818 14.85507 16.31881 
1 1 1    1    6  -38 o   31.786   7.0108  345.678  135.734  402.518  241.394  319.397  164.141   33.126   10.897   30.446   8.8233 2.680500 14.02162 
1 1 1    1    7  -38 o  109.880   3.5718  3573.18  182.024  3826.31  407.230  3509.98  203.483  110.655   6.3721  109.104   3.2292 1.550743 7.143660 
1 1 1    1    8  -38 o   21.263   6.5684  -1.0054  159.537 -146.4431  226.812  141.412  224.444   18.222   8.5438   24.304   9.9790 -6.082518 13.13690 
1 1 1    1    9  -38 o  105.156   2.9266  3342.27  172.877  3139.66  273.357  3477.33  223.176  102.006   4.6400  108.307   3.5679 -6.300827 5.853158 
1 1 1    1   10  -38 o   43.360   6.9294  669.998  169.969  769.552  244.393  576.736  236.544   46.964   9.3390   39.756   10.240 7.208637 13.85885 
1 1 1    1   11  -38 o   92.777   3.9021  2619.27  184.676  2583.80  215.611  2716.96  357.823   92.971   4.0155   92.583   6.6919 0.3882828 7.804251 
1 1 1    1   12  -38 o   27.901   6.8747  272.809  136.758  303.034  176.693  227.649  215.979   29.281   9.2984   26.521   10.128 2.759794 13.74939 
1 1 1    1   13  -38 o   56.191   4.6807  995.698  143.594  1029.43  246.988  978.477  176.485   56.056   7.6291   56.326   5.4252 -0.2705612 9.361387 
1 1 1    1   14  -38 o   38.158   6.8024  515.860  139.972  565.991  261.754  495.784  165.645   38.023   11.178   38.293   7.7557 -0.2703209 13.60482 
1 1 1    1   15  -38 o   24.236   6.5392  166.160  134.803  287.842  190.702   44.635  190.579   28.246   9.6906   20.227   8.7829 8.019003 13.07846 
1 1 1    1   16  -38 o   17.325   5.7113 -121.0936  143.661 -248.8525  214.639 -17.4115  193.359   15.866   7.6737   18.784   8.4610 -2.917624 11.42251 
1 1 1    1   17  -38 o   15.165   5.2810 -330.0773  130.088 -67.6582  243.146 -435.3179  153.979   19.615   9.0782   10.715   5.3984 8.899593 10.56202 
1 1 1    1   18  -38 f   60.043   5.3107  1200.80  174.822  1176.70  216.288  1246.19  296.914   60.547   6.1852   59.539   8.6346 1.007912 10.62135 
1 1 1    1   19  -38 o   26.526   7.1603  258.626  150.059  294.477  238.395  235.100  193.117   27.551   10.612   25.501   9.6159 2.050743 14.32054 
1 1 1    1    0  -39 o   59.716   5.2598  1129.70  173.387  1061.65  235.840  1209.74  255.784   57.717   7.4100   61.714   7.4668 -0.000000 0.000000 
1 1 1    1    1  -39 o   19.231   6.1655 -36.9724  144.776 -51.9844  233.626 -27.6136  184.465   20.013   9.1272   18.449   8.2915 1.563585 12.33101 
1 1 1    1    2  -39 o   58.727   5.3607  1059.35  181.822   0.0000   0.0000  1059.35  181.822  ?   ?    58.727   5.3607      ?      ? 
1 1 1    1    3  -39 o   26.896   7.5583  200.607  184.824  355.269  259.871   42.299  262.915   30.963   11.247   22.828   10.101 8.134144 15.11663 
1 1 1    1    4  -39 o   33.564   6.8123  409.517  138.857  386.318  211.902  426.977  183.826   32.394   10.170   34.734   9.0665 -2.340092 13.62467 
1 1 1    1    5  -39 o   22.757   7.2606 -24.0079  170.941  208.138  351.124 -96.1213  195.699   27.985   12.036   17.529   8.1238 10.45644 14.52115 
1 1 1    1    6  -39 o   39.039   7.0259  547.279  156.850  628.794  246.090  491.509  203.553   41.145   10.362   36.933   9.4914 4.212574 14.05186 
1 1 1    1    7  -39 o   31.573   7.2329  379.102  168.007  526.364  215.635  151.618  268.010   37.963   9.7760   25.184   10.662 12.77926 14.46571 
1 1 1    1    8  -39 o   44.480   7.1076  727.247  161.271  704.305  324.120  734.795  185.920   41.036   12.528   47.923   6.7173 -6.887535 14.21519 
1 1 1    1    9  -39 o   47.831   7.7357  838.327  195.424  974.548  358.740  780.846  233.036   48.418   12.679   47.245   8.8662 1.173206 15.47145 
1 1 1    1   10  -39 o   15.612   5.3670 -323.2472  152.437 -493.3784  207.142 -122.2673  225.139   13.016   6.5161   18.209   8.5298 -5.193550 10.73390 
1 1 1    1   11  -39 o   13.463   4.6983 -373.2765  134.257 -200.5446  183.432 -572.5750  197.034   15.031   7.2256   11.896   6.0073 3.134516 9.396602 
1 1 1    1   12  -39 o   33.952   6.3552  374.259  132.874  682.780  219.199  195.038  167.067   43.660   8.9923   24.243   8.9827 19.41713 12.71031 
1 1 1    1   13  -39 o   41.454   6.4129  626.303  146.782  609.915  233.149  637.063  188.921   39.922   10.103   42.986   7.9009 -3.063168 12.82578 
1 1 1    1   14  -39 o   14.219   5.1408 -592.7722  170.139 -947.4053  386.450 -507.5061  189.492   16.498   8.3408   11.939   6.0117 4.558514 10.28150 
1 1 1    1   15  -39 o   27.802   6.9436  272.990  138.467  418.212  223.515  182.547  176.392   32.086   10.483   23.518   9.1085 8.568045 13.88722 
1 1 1    1    0  -40 o   21.179   9.2582  100.370  234.979  438.819  363.846 -141.7935  307.770   27.290   15.308   15.068   10.417 -0.000000 0.000000 
1 1 1    1    1  -40 o   13.664   4.8408 -499.1095  157.082 -664.0646  265.123 -409.8802  194.992   14.201   7.1456   13.127   6.5324 1.074388 9.681520 
1 1 1    1    2  -40 o   34.011   6.3670  475.618  144.006  172.847  271.216  594.488  169.940   25.269   10.714   42.753   6.8824 -17.48428 12.73391 
1 1 1    1    3  -40 o   59.286   8.1439  1195.85  278.848   0.0000   0.0000  1195.85  278.848  ?   ?    59.286   8.1439      ?      ? 
1 1 1    1    4  -40 o   34.304   8.0601  522.730  209.651  648.968  248.631  212.130  389.997   40.980   10.467   27.629   12.260 13.35067 16.12029 
1 1 1    1    5  -40 o   42.613   6.0655  650.802  144.408  729.497  192.310  549.058  218.666   47.124   7.0660   38.103   9.8607 9.020859 12.13103 
1 1 1    1    6  -40 o   38.761   5.8985  525.583  128.327  428.286  173.869  642.007  190.193   34.396   8.7358   43.126   7.9282 -8.730061 11.79705 
1 1 1    1    7  -40 o   41.982   6.1485  631.906  146.833  767.123  207.827  497.139  207.481   47.805   7.5273   36.158   9.7240 11.64682 12.29706 
1 1 1    1    8  -40 o   27.307   7.8806  256.256  202.539  391.515  286.549  121.215  286.317   30.564   11.668   24.050   10.596 6.513355 15.76112 
1 1 1    1    9  -40 o   77.383   2.8546  1823.41  126.574  2063.97  178.386  1579.48  179.627   82.817   3.7295   71.950   4.3227 10.86671 5.709227 
1 1 1    1   10  -40 o   18.112   5.9053 -72.4654  142.534 -157.7083  188.125   42.414  218.393   15.666   7.4730   20.558   9.1456 -4.892222 11.81050 
1 1 1    2    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    1    0 o  135.488   1.0051  5277.91   74.515  5380.59  128.306  5225.65   91.534  136.470   1.6284  134.505   1.1785 -0.000000 0.000000 
1 1 1    2    2    0 o  326.449   1.4633 30779.67  275.868 30854.56  389.965 30704.67  390.308  326.847   2.0660  326.052   2.0729 -0.000000 0.000000 
1 1 1    2    3    0 o  320.628   1.4416 29691.87  266.929 29812.02  377.150 29571.28  377.841  321.278   2.0328  319.978   2.0448 -0.000000 0.000000 
1 1 1    2    4    0 f  126.643   0.8274  4632.89   60.504  4594.97   85.684  4670.60   85.447  126.126   1.1765  127.160   1.1637 -0.000000 0.000000 
1 1 1    2    5    0 o   18.341   2.9878  101.330   26.077  143.713   47.519   83.068   31.193   21.041   4.4440   15.640   3.9947 -0.000000 0.000000 
1 1 1    2    6    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    7    0 o  190.074   1.4252 10438.44  156.388 10642.03  220.892 10233.85  221.441  191.934   1.9932  188.215   2.0377 -0.000000 0.000000 
1 1 1    2    8    0 o  258.553   1.7409 19312.80  259.886 19444.48  365.618 19178.32  369.481  259.445   2.4405  257.661   2.4834 -0.000000 0.000000 
1 1 1    2    9    0 o  360.929   2.2847 37633.76  476.152 37838.81  672.320 37427.42  674.445  361.916   3.2171  359.942   3.2450 -0.000000 0.000000 
1 1 1    2   10    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   11    0 o  701.802   4.1961 142323.09  1700.42 143377.59  2418.76 141292.59  2391.00  704.371   5.9467  699.232   5.9217 -0.000000 0.000000 
1 1 1    2   12    0 o  299.764   2.0160 25935.71  348.661 26496.35  505.454 25426.79  481.573  302.851   2.8904  296.677   2.8111 -0.000000 0.000000 
1 1 1    2   13    0 o  377.866   2.4429 41232.25  532.099 41521.25  776.936 40976.95  730.236  379.108   3.5491  376.623   3.3578 -0.000000 0.000000 
1 1 1    2   14    0 o  193.874   1.5073 10856.25  168.695 10979.79  241.385 10738.31  235.853  194.952   2.1444  192.797   2.1187 -0.000000 0.000000 
1 1 1    2   15    0 o  287.315   1.9427 23832.51  322.193 24415.28  462.856 23284.68  448.769  290.721   2.7572  283.909   2.7375 -0.000000 0.000000 
1 1 1    2   16    0 o  858.429   7.2290 212946.50  3583.45   0.0000   0.0000 212946.50  3583.45  858.429   7.2290  858.429   7.2290 -0.000000 0.000000 
1 1 1    2   17    0 o  534.553   4.6129 82549.00  1423.91   0.0000   0.0000 82549.00  1423.91  534.553   4.6129  534.553   4.6129 -0.000000 0.000000 
1 1 1    2   18    0 o  728.182   4.3838 153161.30  1843.50   0.0000   0.0000 153161.30  1843.50  728.182   4.3838  728.182   4.3838 -0.000000 0.000000 
1 1 1    2   19    0 o  433.052   2.7246 54164.34  681.393   0.0000   0.0000 54164.34  681.393  433.052   2.7246  433.052   2.7246 -0.000000 0.000000 
1 1 1    2   20    0 o  683.375   4.1099 134890.59  1621.95   0.0000   0.0000 134890.59  1621.95  683.375   4.1099  683.375   4.1099 -0.000000 0.000000 
1 1 1    2   21    0 o  220.370   1.6899 14026.41  215.048   0.0000   0.0000 14026.41  215.048  220.370   1.6899  220.370   1.6899 -0.000000 0.000000 
1 1 1    2   22    0 o  667.549   4.0576 128718.90  1564.23   0.0000   0.0000 128718.90  1564.23  667.549   4.0576  667.549   4.0576 -0.000000 0.000000 
1 1 1    2   23    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   24    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   25    0 o  162.443   1.6720  7622.82  156.830   0.0000   0.0000  7622.82  156.830  162.443   1.6720  162.443   1.6720 -0.000000 0.000000 
1 1 1    2   26    0 o  150.130   1.6596  6511.40  143.857   0.0000   0.0000  6511.40  143.857  150.130   1.6596  150.130   1.6596 -0.000000 0.000000 
1 1 1    2   27    0 o  213.895   1.7563 13215.20  216.928   0.0000   0.0000 13215.20  216.928  213.895   1.7563  213.895   1.7563 -0.000000 0.000000 
1 1 1    2   28    0 o   66.606   3.5809  1292.62  136.840   0.0000   0.0000  1292.62  136.840   66.606   3.5809   66.606   3.5809 -0.000000 0.000000 
1 1 1    2   29    0 o  471.278   3.0000 64165.02  816.480   0.0000   0.0000 64165.02  816.480  471.278   3.0000  471.278   3.0000 -0.000000 0.000000 
1 1 1    2   30    0 o  315.271   2.1614 28712.38  393.510   0.0000   0.0000 28712.38  393.510  315.271   2.1614  315.271   2.1614 -0.000000 0.000000 
1 1 1    2   31    0 o   93.535   1.9963  2530.34  107.730   0.0000   0.0000  2530.34  107.730   93.535   1.9963   93.535   1.9963 -0.000000 0.000000 
1 1 1    2   32    0 o  187.364   1.6714 10141.51  180.835   0.0000   0.0000 10141.51  180.835  187.364   1.6714  187.364   1.6714 -0.000000 0.000000 
1 1 1    2   33    0 o  116.501   2.5033  3926.50  168.256   0.0000   0.0000  3926.50  168.256  116.501   2.5033  116.501   2.5033 -0.000000 0.000000 
1 1 1    2   34    0 o  245.295   2.5686 17390.48  363.801   0.0000   0.0000 17390.48  363.801  245.295   2.5686  245.295   2.5686 -0.000000 0.000000 
1 1 1    2   35    0 o  153.579   1.7167  6815.52  152.222   0.0000   0.0000  6815.52  152.222  153.579   1.7167  153.579   1.7167 -0.000000 0.000000 
1 1 1    2   36    0 o   89.705   3.0433  2333.84  157.260   0.0000   0.0000  2333.84  157.260   89.705   3.0433   89.705   3.0433 -0.000000 0.000000 
1 1 1    2   37    0 o  245.794   3.0606 17470.46  434.320   0.0000   0.0000 17470.46  434.320  245.794   3.0606  245.794   3.0606 -0.000000 0.000000 
1 1 1    2   38    0 o   59.446   4.9985  1044.55  168.822   0.0000   0.0000  1044.55  168.822   59.446   4.9985   59.446   4.9985 -0.000000 0.000000 
1 1 1    2   39    0 o   97.936   2.2424  2775.67  126.684   0.0000   0.0000  2775.67  126.684   97.936   2.2424   97.936   2.2424 -0.000000 0.000000 
1 1 1    2   40    0 o  188.592   2.8217 10288.17  307.187   0.0000   0.0000 10288.17  307.187  188.592   2.8217  188.592   2.8217 -0.000000 0.000000 
1 1 1    2   41    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   42    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   43    0 o   68.718   4.1416  1383.46  163.001   0.0000   0.0000  1383.46  163.001   68.718   4.1416   68.718   4.1416 -0.000000 0.000000 
1 1 1    2   44    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   45    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   46    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0   -1 o   41.518   1.3874  500.370   33.063  532.694   47.713  470.511   45.858   42.818   1.9385   40.218   1.9853 -0.000000 0.000000 
1 1 1    2    1   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    2   -1 o  133.931   0.9503  5131.96   58.745  5260.37  132.347  5100.45   65.558  134.963   1.6979  132.899   0.8541 2.063797 1.900626 
1 1 1    2    3   -1 o  246.768   1.1341 17585.22  161.634 17585.22  161.634   0.0000   0.0000  246.768   1.1341  ?   ?       ?      ? 
1 1 1    2    4   -1 o  227.882   0.8541 14976.91  111.324 15135.65  170.100 14857.97  147.235  228.936   1.2865  226.827   1.1239 2.108627 1.708277 
1 1 1    2    5   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    6   -1 o  240.034   1.0753 16654.95  146.014 16559.54  230.745 16718.67  188.571  239.459   1.6685  240.609   1.3570 -1.150772 2.150624 
1 1 1    2    7   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    8   -1 f  441.391   1.5930 56264.59  406.078 56751.80  577.122 55786.86  571.483  443.284   2.2542  439.499   2.2514 3.784576 3.185996 
1 1 1    2    9   -1 o  334.438   1.3820 32381.63  261.890 32719.91  339.908 31887.44  410.826  336.596   1.7485  332.280   2.1408 4.316711 2.764077 
1 1 1    2   10   -1 o  549.647   1.9533 87253.36  619.973 87716.48  884.903 86806.88  868.865  551.079   2.7803  548.216   2.7442 2.863098 3.906517 
1 1 1    2   11   -1 o  422.693   2.1294 51520.01  454.787 51792.31  896.786 51425.73  527.674  423.416   3.6672  421.970   2.1652 1.445740 4.258702 
1 1 1    2   12   -1 o  207.381   1.2944 12358.77  146.457 12607.42  253.882 12234.75  179.298  208.933   2.1040  205.829   1.5083 3.104752 2.588748 
1 1 1    2   13   -1 o  473.296   2.3140 64285.93  553.131 65573.22  1095.40 63845.35  640.833  476.422   3.9810  470.169   2.3600 6.253052 4.627953 
1 1 1    2   14   -1 o  113.585   1.4107  3722.17   92.487  3617.67  128.143  3835.81  133.623  111.922   1.9824  115.247   2.0076 -3.324867 2.821386 
1 1 1    2   15   -1 o  306.530   2.0009 27137.09  354.222 26967.29  499.278 27309.17  502.630  305.565   2.8291  307.496   2.8302 -1.930847 4.001787 
1 1 1    2   16   -1 o  324.832   1.7227 30698.43  282.884 30007.52  553.478 30942.72  329.118  322.331   2.9731  327.333   1.7409 -5.002045 3.445327 
1 1 1    2   17   -1 o  641.807   3.3684 119407.80  1183.37 117695.00  2020.42 120302.10  1460.01  638.253   5.4811  645.362   3.9171 -7.109558 6.736896 
1 1 1    2   18   -1 o  248.087   1.7249 17773.75  247.139 17681.88  347.442 17867.84  351.610  247.438   2.4313  248.735   2.4476 -1.297592 3.449885 
1 1 1    2   19   -1 o  579.722   2.8665 97189.49  843.169 96835.73  1648.37 97314.84  981.258  578.971   4.9296  580.473   2.9270 -1.502869 5.733069 
1 1 1    2   20   -1 o  620.463   3.2413 111322.40  1102.32 110846.90  1881.62 111570.90  1360.17  619.419   5.2597  621.507   3.7893 -2.088135 6.482545 
1 1 1    2   21   -1 o  281.456   1.6698 22752.02  258.504 23289.12  441.011 22470.89  319.065  283.969   2.6890  278.944   1.9805 5.024689 3.339644 
1 1 1    2   22   -1 o  306.143   2.0973 27067.12  370.833   0.0000   0.0000 27067.12  370.833  ?   ?   306.143   2.0973      ?      ? 
1 1 1    2   23   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   24   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   25   -1 o  419.469   2.8130 50834.09  681.458 50340.48  960.226 51334.97  967.266  417.417   3.9831  421.521   3.9732 -4.103455 5.625946 
1 1 1    2   26   -1 o  196.715   1.4635 11222.29  156.178 11042.37  271.395 11311.38  190.966  195.526   2.4033  197.905   1.6708 -2.378784 2.927014 
1 1 1    2   27   -1 o  597.269   3.6759 103079.10  1268.00   0.0000   0.0000 103079.10  1268.00  ?   ?   597.269   3.6759      ?      ? 
1 1 1    2   28   -1 o  269.124   1.9597 20918.22  304.503 21160.19  437.007 20689.87  424.529  270.636   2.7959  267.613   2.7467 3.022461 3.919362 
1 1 1    2   29   -1 o  222.409   1.6918 14293.04  217.247 14148.20  310.108 14432.64  304.438  221.301   2.4263  223.517   2.3583 -2.216003 3.383576 
1 1 1    2   30   -1 o  285.055   1.7847 23587.44  275.587 23157.24  479.952 23799.04  336.609  283.079   2.9357  287.030   2.0305 -3.950226 3.569479 
1 1 1    2   31   -1 f  220.064   1.4980 13940.00  181.003 14155.31  309.354 13827.92  223.196  221.337   2.4200  218.792   1.7663 2.544266 2.996056 
1 1 1    2   32   -1 o  122.832   1.4625  4351.92   99.012  4383.41  167.499  4335.01  122.755  123.164   2.3548  122.501   1.7351 0.6630783 2.924948 
1 1 1    2   33   -1 o   83.488   2.2321  2014.27  107.626   0.0000   0.0000  2014.27  107.626  ?   ?    83.488   2.2321      ?      ? 
1 1 1    2   34   -1 o  251.948   1.6660 18321.04  229.053 18428.01  395.562 18267.07  280.947  252.463   2.7129  251.433   1.9347 1.030060 3.332091 
1 1 1    2   35   -1 o  286.460   2.2654 23726.62  371.857 23629.20  495.328 23852.42  562.899  285.819   3.0007  287.100   3.3948 -1.281128 4.530832 
1 1 1    2   36   -1 o  280.997   3.3722 22851.21  547.266   0.0000   0.0000 22851.21  547.266  ?   ?   280.997   3.3722      ?      ? 
1 1 1    2   37   -1 o  197.830   1.8137 11309.01  207.221   0.0000   0.0000 11309.01  207.221  ?   ?   197.830   1.8137      ?      ? 
1 1 1    2   38   -1 o  263.172   2.7157 20031.23  412.763   0.0000   0.0000 20031.23  412.763  ?   ?   263.172   2.7157      ?      ? 
1 1 1    2   39   -1 o  165.649   1.6173  7984.18  145.145  7785.15  252.240  8082.70  177.469  164.060   2.6621  167.237   1.8374 -3.176849 3.234641 
1 1 1    2   40   -1 o  263.733   2.0839 20108.17  317.421   0.0000   0.0000 20108.17  317.421  ?   ?   263.733   2.0839      ?      ? 
1 1 1    2   41   -1 o   87.815   2.4341  2230.84  123.452   0.0000   0.0000  2230.84  123.452  ?   ?    87.815   2.4341      ?      ? 
1 1 1    2   42   -1 o   20.635   8.4618   46.581  161.133   0.0000   0.0000   46.581  161.133  ?   ?    20.635   8.4618      ?      ? 
1 1 1    2   43   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   44   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   45   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   46   -1 o  123.280   3.2798  4432.22  233.522   0.0000   0.0000  4432.22  233.522  ?   ?   123.280   3.2798      ?      ? 
1 1 1    2   47   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0   -2 o   35.538   1.5022  376.567   27.728  388.436   33.241  349.417   50.276   36.573   1.5804   34.503   2.5552 -0.000000 0.000000 
1 1 1    2    1   -2 o  232.602   1.2423 15589.24  134.330 15564.92  150.440 15684.88  298.360  232.161   1.1220  233.043   2.2168 -0.8823242 2.484531 
1 1 1    2    2   -2 o  376.433   1.3560 40927.58  294.767 40607.09  419.270 41240.82  414.498  374.975   1.9360  377.891   1.8992 -2.915314 2.712023 
1 1 1    2    3   -2 o  402.273   1.6460 46723.34  375.748 46807.25  589.166 46665.81  487.836  402.572   2.5340  401.974   2.1013 0.5984802 3.291921 
1 1 1    2    4   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    5   -2 o  355.388   1.3019 36472.18  267.188 36289.95  374.550 36661.00  381.262  354.484   1.8295  356.291   1.8528 -1.807190 2.603832 
1 1 1    2    6   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    7   -2 o  119.385   0.8900  4118.75   61.304  4187.96   85.249  4044.62   88.222  120.424   1.2257  118.345   1.2908 2.078979 1.780004 
1 1 1    2    8   -2 o  908.151   5.4183 238355.80  2841.91   0.0000   0.0000 238355.80  2841.91  ?   ?   908.151   5.4183      ?      ? 
1 1 1    2    9   -2 o  494.048   1.8811 70587.37  508.753 70220.16  870.481 70777.88  626.984  493.055   3.0569  495.041   2.1930 -1.986237 3.762127 
1 1 1    2   10   -2 f  510.818   1.9498 75561.54  544.546 74764.37  932.871 75973.58  670.667  508.751   3.1749  512.886   2.2641 -4.135193 3.899529 
1 1 1    2   11   -2 o  308.411   1.3138 27518.98  229.398 27219.81  361.147 27721.32  297.013  307.000   2.0369  309.821   1.6599 -2.821655 2.627548 
1 1 1    2   12   -2 f  463.171   1.8774 61970.20  493.924 61917.95  771.579 62006.48  642.918  462.997   2.8855  463.345   2.4025 -0.3479004 3.754731 
1 1 1    2   13   -2 o  349.551   1.3949 35310.89  266.314 35215.65  458.081 35359.52  327.312  349.189   2.2714  349.913   1.6196 -0.7243652 2.789718 
1 1 1    2   14   -2 o  208.539   1.0899 12559.02  131.273 12580.72  185.322 12537.17  185.975  208.719   1.5374  208.358   1.5455 0.3615875 2.179900 
1 1 1    2   15   -2 o  385.253   1.5116 42927.18  318.542 42664.92  545.836 43062.61  392.269  384.353   2.4589  386.152   1.7589 -1.799194 3.023253 
1 1 1    2   16   -2 o  320.039   1.4594 29580.48  269.736 30001.45  381.825 29161.09  381.106  322.312   2.0512  317.766   2.0766 4.546448 2.918833 
1 1 1    2   17   -2 o  703.400   3.5017 142820.70  1242.54 143168.50  2454.47 142700.80  1440.81  703.906   6.0375  702.895   3.5492 1.011353 7.003445 
1 1 1    2   18   -2 o  478.795   2.4247 65825.51  602.206 67089.62  1143.06 65339.85  708.506  481.939   4.1067  475.651   2.5791 6.287781 4.849402 
1 1 1    2   19   -2 o  486.394   1.8921 68330.50  509.267 68306.94  852.417 68343.58  635.064  486.321   3.0349  486.467   2.2604 -0.1463013 3.784158 
1 1 1    2   20   -2 o  376.291   1.7809 40890.85  387.043   0.0000   0.0000 40890.85  387.043  ?   ?   376.291   1.7809      ?      ? 
1 1 1    2   21   -2 o  412.872   1.6334 49151.70  369.034 49473.78  633.779 48986.47  453.921  413.887   2.6514  411.857   1.9083 2.030609 3.266712 
1 1 1    2   22   -2 o  580.576   2.9784 97354.09  998.686   0.0000   0.0000 97354.09  998.686  ?   ?   580.576   2.9784      ?      ? 
1 1 1    2   23   -2 o  571.210   5.1158 94279.46  1687.69   0.0000   0.0000 94279.46  1687.69  ?   ?   571.210   5.1158      ?      ? 
1 1 1    2   24   -2 o  333.947   2.2439 32139.23  432.110 30942.89  591.483 33508.54  632.799  327.299   3.1291  340.595   3.2169 -13.29630 4.487723 
1 1 1    2   25   -2 o  631.609   2.7458 115267.90  1001.30 115722.00  1399.84 114792.20  1432.84  632.887   3.8297  630.331   3.9359 2.556335 5.491640 
1 1 1    2   26   -2 o  630.478   4.0333 114985.70  1467.16 116146.80  2035.53 113730.30  2116.59  633.812   5.5607  627.144   5.8436 6.668030 8.066586 
1 1 1    2   27   -2 o  199.647   1.7626 11511.90  203.239   0.0000   0.0000 11511.90  203.239  ?   ?   199.647   1.7626      ?      ? 
1 1 1    2   28   -2 o  643.403   3.9955 119653.60  1484.69   0.0000   0.0000 119653.60  1484.69  ?   ?   643.403   3.9955      ?      ? 
1 1 1    2   29   -2 o   76.577   2.4427  1694.10  108.031   0.0000   0.0000  1694.10  108.031  ?   ?    76.577   2.4427      ?      ? 
1 1 1    2   30   -2 o  323.076   2.1911 30153.83  408.833   0.0000   0.0000 30153.83  408.833  ?   ?   323.076   2.1911      ?      ? 
1 1 1    2   31   -2 o  230.159   1.8324 15302.42  243.575   0.0000   0.0000 15302.42  243.575  ?   ?   230.159   1.8324      ?      ? 
1 1 1    2   32   -2 o  199.430   1.7269 11489.29  198.906   0.0000   0.0000 11489.29  198.906  ?   ?   199.430   1.7269      ?      ? 
1 1 1    2   33   -2 f   41.561   4.6671  617.646   94.322  855.391  120.703  244.790  151.159   54.368   3.8441   28.754   8.5059 25.61353 9.334246 
1 1 1    2   34   -2 o  362.905   2.5728 38073.16  539.235   0.0000   0.0000 38073.16  539.235  ?   ?   362.905   2.5728      ?      ? 
1 1 1    2   35   -2 o  133.232   1.8887  5129.31  145.331   0.0000   0.0000  5129.31  145.331  ?   ?   133.232   1.8887      ?      ? 
1 1 1    2   36   -2 o   11.594   5.5760 -163.8541  109.500   0.0000   0.0000 -163.8541  109.500  ?   ?    11.594   5.5760      ?      ? 
1 1 1    2   37   -2 o  195.997   1.8830 11100.91  213.153   0.0000   0.0000 11100.91  213.153  ?   ?   195.997   1.8830      ?      ? 
1 1 1    2   38   -2 o  140.051   1.9549  5668.64  158.128   0.0000   0.0000  5668.64  158.128  ?   ?   140.051   1.9549      ?      ? 
1 1 1    2   39   -2 o  302.860   2.2714 26519.01  397.296   0.0000   0.0000 26519.01  397.296  ?   ?   302.860   2.2714      ?      ? 
1 1 1    2   40   -2 o  273.012   2.1254 21549.14  335.131   0.0000   0.0000 21549.14  335.131  ?   ?   273.012   2.1254      ?      ? 
1 1 1    2   41   -2 o  133.908   2.0263  5184.57  156.714   0.0000   0.0000  5184.57  156.714  ?   ?   133.908   2.0263      ?      ? 
1 1 1    2   42   -2 o  174.635   2.5312  8827.23  255.298   0.0000   0.0000  8827.23  255.298  ?   ?   174.635   2.5312      ?      ? 
1 1 1    2   43   -2 o   76.358   4.0008  1695.72  176.434   0.0000   0.0000  1695.72  176.434  ?   ?    76.358   4.0008      ?      ? 
1 1 1    2   44   -2 o  151.169   1.9074  6612.56  166.530   0.0000   0.0000  6612.56  166.530  ?   ?   151.169   1.9074      ?      ? 
1 1 1    2   45   -2 o  130.212   2.2588  4914.26  169.869   0.0000   0.0000  4914.26  169.869  ?   ?   130.212   2.2588      ?      ? 
1 1 1    2   46   -2 o   97.934   2.5345  2786.26  143.357   0.0000   0.0000  2786.26  143.357  ?   ?    97.934   2.5345      ?      ? 
1 1 1    2   47   -2 o  114.439   2.1013  3802.12  138.880   0.0000   0.0000  3802.12  138.880  ?   ?   114.439   2.1013      ?      ? 
1 1 1    2   48   -2 o   18.970   7.2321   86.863  109.994   0.0000   0.0000   86.863  109.994  ?   ?    18.970   7.2321      ?      ? 
1 1 1    2   49   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0   -3 o  465.808   2.0438 62671.50  549.779 62912.00  776.905 62430.27  778.106  466.704   2.8826  464.913   2.8981 -0.000000 0.000000 
1 1 1    2    1   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    2   -3 o  294.139   1.3918 24987.05  236.408 25034.78  332.166 24938.06  336.539  294.424   1.9534  293.854   1.9830 0.5697327 2.783534 
1 1 1    2    3   -3 o  343.401   1.5363 34062.77  304.642 33561.07  432.379 34557.35  429.297  340.889   2.1962  345.913   2.1488 -5.023621 3.072571 
1 1 1    2    4   -3 o  240.342   0.9636 16683.13  133.747 16810.79  188.210 16552.89  190.099  241.272   1.3507  239.413   1.3748 1.858109 1.927294 
1 1 1    2    5   -3 o  396.809   1.4356 45470.41  328.984 45020.91  462.718 45929.91  467.832  394.826   2.0292  398.792   2.0312 -3.965942 2.871156 
1 1 1    2    6   -3 o  255.239   1.1225 18810.60  162.230 18831.00  256.108 18796.93  209.657  255.353   1.7366  255.126   1.4229 0.2276917 2.245067 
1 1 1    2    7   -3 f  775.154   3.3197 173633.80  1485.91 172750.50  2119.65 174487.30  2083.59  773.210   4.7466  777.098   4.6425 -3.887756 6.639488 
1 1 1    2    8   -3 o  230.360   1.3533 15271.77  170.821 15157.14  210.205 15494.67  293.121  229.095   1.5887  231.624   2.1912 -2.529373 2.706517 
1 1 1    2    9   -3 o  708.021   2.7850 144700.80  1120.44 145515.50  1751.05 144136.00  1457.98  709.679   4.2722  706.363   3.5739 3.315918 5.569922 
1 1 1    2   10   -3 o  146.708   0.8486  6214.41   70.697  6209.07   91.927  6222.15  110.606  146.632   1.0855  146.785   1.3047 -0.1531525 1.697221 
1 1 1    2   11   -3 o  238.937   1.4273 16447.99  187.534 16357.38  231.784 16619.74  319.108  237.991   1.6863  239.883   2.3033 -1.892288 2.854618 
1 1 1    2   12   -3 o  386.263   1.5907 43083.25  349.088 43131.36  545.222 43049.82  454.452  386.440   2.4429  386.085   2.0381 0.3555603 3.181435 
1 1 1    2   13   -3 o  447.653   2.7719 57879.61  716.644   0.0000   0.0000 57879.61  716.644  ?   ?   447.653   2.7719      ?      ? 
1 1 1    2   14   -3 o  370.659   1.6890 39678.75  361.569 39723.67  512.998 39634.41  509.690  370.867   2.3950  370.451   2.3823 0.4166870 3.378074 
1 1 1    2   15   -3 o  562.893   2.2445 91555.74  716.268 91306.23  1125.31 91725.68  928.685  562.237   3.4655  563.549   2.8533 -1.312073 4.489014 
1 1 1    2   16   -3 o  105.211   0.9851  3197.97   59.805  3162.55   86.203  3230.83   83.040  104.649   1.4263  105.772   1.3593 -1.123749 1.970295 
1 1 1    2   17   -3 o  322.590   1.3644 30042.15  249.596 30108.06  392.279 29997.31  323.535  322.885   2.1036  322.294   1.7381 0.5907593 2.728774 
1 1 1    2   18   -3 o  727.160   3.1845 152735.50  1337.28 153122.30  1903.86 152358.80  1878.78  728.067   4.5277  726.252   4.4792 1.814758 6.368969 
1 1 1    2   19   -3 o  422.122   1.9145 51458.53  466.738   0.0000   0.0000 51458.53  466.738  ?   ?   422.122   1.9145      ?      ? 
1 1 1    2   20   -3 o  765.359   3.4366 169189.41  1519.10   0.0000   0.0000 169189.41  1519.10  ?   ?   765.359   3.4366      ?      ? 
1 1 1    2   21   -3 o  327.753   1.4484 30954.10  270.384 31433.66  420.144 30615.07  353.258  329.914   2.2050  325.593   1.8786 4.320099 2.896755 
1 1 1    2   22   -3 o  476.445   3.1438 65564.97  865.083   0.0000   0.0000 65564.97  865.083  ?   ?   476.445   3.1438      ?      ? 
1 1 1    2   23   -3 o  280.312   1.9602 22692.36  317.344   0.0000   0.0000 22692.36  317.344  ?   ?   280.312   1.9602      ?      ? 
1 1 1    2   24   -3 o  129.236   1.7173  4823.32  128.145  4802.69  178.921  4845.04  183.618  128.952   2.4024  129.519   2.4547 -0.5669556 3.434684 
1 1 1    2   25   -3 o  440.934   2.8026 56182.64  713.592 55426.66  1013.52 56925.80  1004.88  437.990   4.0066  443.879   3.9198 -5.888916 5.605197 
1 1 1    2   26   -3 o  326.635   2.2781 30839.75  428.456 31052.99  584.718 30592.50  629.627  327.861   3.0880  325.410   3.3502 2.451294 4.556224 
1 1 1    2   27   -3 o  456.249   2.9986 60138.46  790.134   0.0000   0.0000 60138.46  790.134  ?   ?   456.249   2.9986      ?      ? 
1 1 1    2   28   -3 f  205.111   1.7373 12151.01  205.803   0.0000   0.0000 12151.01  205.803  ?   ?   205.111   1.7373      ?      ? 
1 1 1    2   29   -3 o  316.579   1.9097 28897.06  325.419 29121.22  577.484 28792.76  393.919  317.447   3.1498  315.711   2.1604 1.735077 3.819496 
1 1 1    2   30   -3 o  161.018   1.4328  7455.34  126.808  7600.63  216.429  7379.40  156.480  162.198   2.3104  159.837   1.6951 2.360764 2.865528 
1 1 1    2   31   -3 o  377.467   2.6214 41174.39  571.486   0.0000   0.0000 41174.39  571.486  ?   ?   377.467   2.6214      ?      ? 
1 1 1    2   32   -3 o  215.253   1.8676 13385.82  232.177   0.0000   0.0000 13385.82  232.177  ?   ?   215.253   1.8676      ?      ? 
1 1 1    2   33   -3 o  219.792   1.8958 13957.58  240.651   0.0000   0.0000 13957.58  240.651  ?   ?   219.792   1.8958      ?      ? 
1 1 1    2   34   -3 o  285.530   2.1888 23561.92  360.953   0.0000   0.0000 23561.92  360.953  ?   ?   285.530   2.1888      ?      ? 
1 1 1    2   35   -3 o  133.477   1.9440  5148.36  149.864   0.0000   0.0000  5148.36  149.864  ?   ?   133.477   1.9440      ?      ? 
1 1 1    2   36   -3 f  209.277   1.9230 12656.41  232.428   0.0000   0.0000 12656.41  232.428  ?   ?   209.277   1.9230      ?      ? 
1 1 1    2   37   -3 o  171.018   1.8301  8451.39  180.755   0.0000   0.0000  8451.39  180.755  ?   ?   171.018   1.8301      ?      ? 
1 1 1    2   38   -3 o  149.917   1.8751  6495.00  162.357   0.0000   0.0000  6495.00  162.357  ?   ?   149.917   1.8751      ?      ? 
1 1 1    2   39   -3 o  144.873   1.7154  6079.88  143.032  6212.24  195.598  5927.76  209.691  146.580   2.3105  143.167   2.5360 3.413879 3.430713 
1 1 1    2   40   -3 o  144.846   1.9864  6064.88  166.172   0.0000   0.0000  6064.88  166.172  ?   ?   144.846   1.9864      ?      ? 
1 1 1    2   41   -3 o  179.424   1.8706  9306.49  193.839   0.0000   0.0000  9306.49  193.839  ?   ?   179.424   1.8706      ?      ? 
1 1 1    2   42   -3 o   85.891   2.1196  2135.26  104.552  2157.73  156.775  2117.26  140.309   86.283   3.1460   85.499   2.8415 0.7842941 4.239273 
1 1 1    2   43   -3 o  119.867   2.1984  4158.26  152.193   0.0000   0.0000  4158.26  152.193  ?   ?   119.867   2.1984      ?      ? 
1 1 1    2   44   -3 o   78.796   2.9447  1801.94  134.009   0.0000   0.0000  1801.94  134.009  ?   ?    78.796   2.9447      ?      ? 
1 1 1    2   45   -3 o  112.115   2.8943  3652.32  187.413   0.0000   0.0000  3652.32  187.413  ?   ?   112.115   2.8943      ?      ? 
1 1 1    2   46   -3 f   70.443   4.2549  1457.76  173.105   0.0000   0.0000  1457.76  173.105  ?   ?    70.443   4.2549      ?      ? 
1 1 1    2   47   -3 o   64.127   4.4226  1216.35  163.796   0.0000   0.0000  1216.35  163.796  ?   ?    64.127   4.4226      ?      ? 
1 1 1    2   48   -3 o   73.163   3.6784  1578.38  155.432   0.0000   0.0000  1578.38  155.432  ?   ?    73.163   3.6784      ?      ? 
1 1 1    2   49   -3 o   65.896   3.9990  1291.05  152.192   0.0000   0.0000  1291.05  152.192  ?   ?    65.896   3.9990      ?      ? 
1 1 1    2   50   -3 o  103.973   4.2483  3238.61  255.104   0.0000   0.0000  3238.61  255.104  ?   ?   103.973   4.2483      ?      ? 
1 1 1    2   51   -3 f   88.033   4.9306  2364.97  250.686   0.0000   0.0000  2364.97  250.686  ?   ?    88.033   4.9306      ?      ? 
1 1 1    2   52   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0   -4 o  450.723   2.4277 58825.77  596.982 58248.29  1027.04 59120.44  733.651  449.024   3.9610  452.422   2.8080 -0.000000 0.000000 
1 1 1    2    1   -4 o  162.033   0.7770  7581.94   72.711  7539.38  102.882  7624.43  102.775  161.578   1.1025  162.487   1.0952 -0.9088593 1.553987 
1 1 1    2    2   -4 f  627.948   2.3591 113892.80  809.596 113926.30  1391.96 113875.60  995.251  627.988   3.8379  627.907   2.7444 0.8129883E-01 4.718168 
1 1 1    2    3   -4 o  205.268   0.8769 12166.62  103.947 11984.30  146.239 12352.80  147.778  203.714   1.2430  206.822   1.2372 -3.108231 1.753721 
1 1 1    2    4   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    5   -4 f  214.807   1.3306 13433.06  143.024 13110.91  284.091 13542.43  165.532  213.063   2.3087  216.551   1.3235 -3.488312 2.661158 
1 1 1    2    6   -4 o  957.480   5.8803 265256.50  3251.53 267534.00  4586.09 262954.50  4610.71  961.626   8.2575  953.335   8.3741 8.291077 11.76063 
1 1 1    2    7   -4 o  443.787   1.6023 56876.30  410.657 56413.08  577.261 57350.90  584.316  441.958   2.2615  445.616   2.2704 -3.658203 3.204572 
1 1 1    2    8   -4 o  807.971   2.8630 188571.20  1335.75 186866.50  1869.28 190349.91  1909.45  804.242   4.0244  811.699   4.0731 -7.456787 5.725915 
1 1 1    2    9   -4 o  227.849   1.0707 15006.20  137.930 14926.03  218.335 15059.44  177.931  227.340   1.6629  228.357   1.3491 -1.016922 2.141336 
1 1 1    2   10   -4 o  167.616   1.1472  8131.23   95.578  8079.45  192.645  8148.14  110.082  167.258   1.9943  167.975   1.1347 -0.7162170 2.294494 
1 1 1    2   11   -4 f  393.496   1.6417 44693.34  367.065 44869.08  573.432 44571.34  477.778  394.145   2.5191  392.846   2.1058 1.299042 3.283313 
1 1 1    2   12   -4 o  214.273   1.0211 13260.94  124.094 13268.56  160.982 13249.78  194.810  214.350   1.3004  214.196   1.5748 0.1540222 2.042258 
1 1 1    2   13   -4 f  231.540   1.0870 15463.18  142.971 15587.18  223.804 15377.68  185.833  232.323   1.6680  230.758   1.3944 1.564224 2.174041 
1 1 1    2   14   -4 o  615.240   2.1744 109332.30  772.602 110022.00  1090.82 108638.00  1094.44  617.188   3.0602  613.293   3.0899 3.895264 4.348795 
1 1 1    2   15   -4 o   44.969   1.5043  570.582   38.467  660.626   61.307  512.114   49.402   47.828   2.2195   42.110   2.0313 5.717403 3.008687 
1 1 1    2   16   -4 o  368.790   1.5575 39292.98  325.096 39203.25  513.405 39353.03  420.034  368.436   2.4128  369.145   1.9702 -0.7092285 3.114949 
1 1 1    2   17   -4 o  639.891   2.7975 118269.90  1033.85 118411.70  1464.40 118129.00  1459.78  640.273   3.9601  639.508   3.9524 0.7644043 5.594975 
1 1 1    2   18   -4 o  234.291   1.2051 15851.69  163.035 15870.14  232.835 15833.95  228.362  234.424   1.7197  234.157   1.6886 0.2672119 2.410168 
1 1 1    2   19   -4 o  976.844   5.3215 276428.09  2841.10 273876.09  4872.02 277743.31  3497.31  973.273   8.6674  980.414   6.1765 -7.141235 10.64296 
1 1 1    2   20   -4 o  345.674   1.9133 34381.56  331.164 34767.41  663.074 34253.34  382.251  346.950   3.3091  344.397   1.9218 2.552795 3.826665 
1 1 1    2   21   -4 o  362.385   2.3164 37926.34  484.800   0.0000   0.0000 37926.34  484.800  ?   ?   362.385   2.3164      ?      ? 
1 1 1    2   22   -4 o  708.418   3.6467 144964.50  1492.01   0.0000   0.0000 144964.50  1492.01  ?   ?   708.418   3.6467      ?      ? 
1 1 1    2   23   -4 o  701.451   3.8024 142499.20  1491.03 140949.30  2429.98 143435.00  1888.29  698.320   6.0251  704.582   4.6403 -6.262207 7.604895 
1 1 1    2   24   -4 o  466.558   3.0378 62929.20  816.190 62408.78  1198.31 63379.57  1114.75  464.748   4.4644  468.369   4.1210 -3.621094 6.075683 
1 1 1    2   25   -4 f  390.463   2.6527 44100.09  597.456 42655.79  857.387 45463.41  833.003  384.235   3.8636  396.691   3.6359 -12.45569 5.305387 
1 1 1    2   26   -4 o  766.133   4.8779 169857.59  2158.08 172824.80  3050.25 166883.70  3053.72  772.847   6.8337  759.418   6.9625 13.42871 9.755797 
1 1 1    2   27   -4 o  167.142   1.7289  8068.55  166.899   0.0000   0.0000  8068.55  166.899  ?   ?   167.142   1.7289      ?      ? 
1 1 1    2   28   -4 o  303.453   2.1907 26607.46  383.860 26589.30  548.066 26624.95  537.800  303.349   3.1283  303.556   3.0676 -0.2068787 4.381343 
1 1 1    2   29   -4 o  129.197   1.5819  4848.45  113.049  4729.10  188.208  4915.82  141.398  127.940   2.5471  130.456   1.8767 -2.515923 3.163832 
1 1 1    2   30   -4 o  361.982   2.1258 37868.25  419.551 37872.72  724.737 37866.01  514.534  361.949   3.4670  362.016   2.4609 -0.6634521E-01 4.251589 
1 1 1    2   31   -4 o  190.408   1.5650 10507.69  164.820 10361.03  275.202 10589.72  205.814  189.354   2.5165  191.462   1.8613 -2.108261 3.130003 
1 1 1    2   32   -4 o  210.070   1.5460 12733.33  177.339 12806.14  305.816 12696.45  217.676  210.501   2.5155  209.639   1.7978 0.8614044 3.091910 
1 1 1    2   33   -4 o  178.124   1.8538  9166.98  190.707   0.0000   0.0000  9166.98  190.707  ?   ?   178.124   1.8538      ?      ? 
1 1 1    2   34   -4 o  200.386   1.9642 11652.93  225.863 12029.72  305.618 11199.47  335.274  203.985   2.5942  196.787   2.9500 7.198349 3.928354 
1 1 1    2   35   -4 o  173.584   1.8163  8706.48  182.092   0.0000   0.0000  8706.48  182.092  ?   ?   173.584   1.8163      ?      ? 
1 1 1    2   36   -4 o  152.490   1.8546  6719.40  163.338   0.0000   0.0000  6719.40  163.338  ?   ?   152.490   1.8546      ?      ? 
1 1 1    2   37   -4 o  165.508   1.8547  7915.84  177.292   0.0000   0.0000  7915.84  177.292  ?   ?   165.508   1.8547      ?      ? 
1 1 1    2   38   -4 o  142.233   1.9548  5846.70  160.577   0.0000   0.0000  5846.70  160.577  ?   ?   142.233   1.9548      ?      ? 
1 1 1    2   39   -4 o  192.695   1.8922 10731.67  210.579   0.0000   0.0000 10731.67  210.579  ?   ?   192.695   1.8922      ?      ? 
1 1 1    2   40   -4 o  189.293   1.9043 10357.43  208.188   0.0000   0.0000 10357.43  208.188  ?   ?   189.293   1.9043      ?      ? 
1 1 1    2   41   -4 f  138.042   2.0547  5510.10  163.815   0.0000   0.0000  5510.10  163.815  ?   ?   138.042   2.0547      ?      ? 
1 1 1    2   42   -4 o   41.844   5.5579  537.690  125.505  566.013  157.593  488.578  207.518   43.951   6.2084   39.737   9.2204 4.214905 11.11575 
1 1 1    2   43   -4 o   90.981   2.6124  2397.98  137.271   0.0000   0.0000  2397.98  137.271  ?   ?    90.981   2.6124      ?      ? 
1 1 1    2   44   -4 o   55.983   3.3890  923.992  108.482  780.100  154.036  1065.59  152.805   51.565   5.1723   60.401   4.3804 -8.835968 6.777944 
1 1 1    2   45   -4 o   52.108   4.2349  794.843  127.447   0.0000   0.0000  794.843  127.447  ?   ?    52.108   4.2349      ?      ? 
1 1 1    2   46   -4 o   36.335   5.3182  417.152  108.616  460.862  144.260  359.943  165.041   39.169   6.3770   33.500   8.5127 5.668808 10.63634 
1 1 1    2   47   -4 o  113.506   2.2873  3745.42  149.943   0.0000   0.0000  3745.42  149.943  ?   ?   113.506   2.2873      ?      ? 
1 1 1    2   48   -4 o  105.849   1.8433  3273.69  112.106  3238.70  166.690  3302.58  151.483  105.272   2.7416  106.427   2.4645 -1.154556 3.686500 
1 1 1    2   49   -4 o   99.960   4.5652  2998.54  263.553   0.0000   0.0000  2998.54  263.553  ?   ?    99.960   4.5652      ?      ? 
1 1 1    2   50   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51   -4 o   72.940   6.1447  1673.96  258.851   0.0000   0.0000  1673.96  258.851  ?   ?    72.940   6.1447      ?      ? 
1 1 1    2   52   -4 o   16.609   7.7161 -86.2238  178.176   0.0000   0.0000 -86.2238  178.176  ?   ?    16.609   7.7161      ?      ? 
1 1 1    2    0   -5 o  197.898   1.3039 11301.36  140.451 11347.25  243.606 11278.51  171.897  198.189   2.1288  197.608   1.5064 -0.000000 0.000000 
1 1 1    2    1   -5 o  741.710   2.9179 159195.41  1225.62 157598.00  1928.43 160277.91  1587.47  738.550   4.5210  744.871   3.6901 -6.320374 5.835814 
1 1 1    2    2   -5 o  310.009   1.1806 27754.54  211.383 27826.81  299.234 27682.56  298.647  310.412   1.6691  309.606   1.6702 0.8055725 2.361244 
1 1 1    2    3   -5 o  611.186   2.0628 107877.70  721.090 108018.90  1099.19 107771.10  955.408  611.527   3.1122  610.844   2.7081 0.6824951 4.125544 
1 1 1    2    4   -5 o  217.230   1.1319 13628.84  141.986 13570.77  202.451 13685.04  199.188  216.775   1.6171  217.686   1.5843 -0.9110718 2.263840 
1 1 1    2    5   -5 o  646.399   2.4254 121223.20  854.227 122302.00  1049.29 119103.20  1470.97  650.717   2.7920  642.081   3.9667 8.636475 4.850779 
1 1 1    2    6   -5 o  243.565   1.0945 17138.92  151.344 17168.74  196.822 17095.80  236.725  243.826   1.3977  243.304   1.6846 0.5214996 2.188962 
1 1 1    2    7   -5 o  467.897   1.7040 63231.52  460.471 63697.64  651.329 62765.77  651.081  469.621   2.4014  466.173   2.4183 3.448395 3.408042 
1 1 1    2    8   -5 o  226.070   1.0848 14767.57  139.170 14715.42  217.937 14803.48  180.845  225.731   1.6717  226.408   1.3830 -0.6773376 2.169630 
1 1 1    2    9   -5 o  677.717   2.2569 132597.59  874.579 133209.91  1335.91 132138.30  1156.98  679.071   3.4063  676.363   2.9618 2.708191 4.513873 
1 1 1    2   10   -5 o   75.684   1.3292  1663.93   54.595  1682.91   66.843  1625.89   94.626   76.338   1.5161   75.031   2.1837 1.307083 2.658373 
1 1 1    2   11   -5 o  215.050   1.3492 13455.94  144.303 13553.99  166.470 13159.58  289.423  216.643   1.3305  213.457   2.3477 3.186432 2.698468 
1 1 1    2   12   -5 o  109.785   1.2335  3458.27   74.318  3552.53  127.502  3409.77   91.462  110.910   1.9905  108.661   1.4574 2.248833 2.467006 
1 1 1    2   13   -5 o  171.885   1.0617  8532.59  105.367  8557.40  147.507  8506.74  150.563  172.140   1.4837  171.630   1.5189 0.5104828 2.123327 
1 1 1    2   14   -5 o  248.401   1.2406 17819.48  177.976 17964.68  251.732 17674.36  251.659  249.413   1.7476  247.389   1.7614 2.023682 2.481203 
1 1 1    2   15   -5 o  580.435   2.3327 97333.94  767.304 97442.55  993.836 97173.63  1207.32  580.848   2.9626  580.023   3.6040 0.8241577 4.665394 
1 1 1    2   16   -5 o  329.927   1.5645 31435.69  298.116 31559.01  422.354 31313.25  420.850  330.572   2.2122  329.283   2.2130 1.289673 3.129062 
1 1 1    2   17   -5 o  527.058   2.1139 80107.93  631.748 79597.34  817.742 80863.77  994.956  524.985   2.6970  529.131   3.2558 -4.145935 4.227773 
1 1 1    2   18   -5 o  418.460   1.7324 50565.92  410.245 50544.26  529.589 50598.42  648.718  418.352   2.1919  418.568   2.6835 -0.2161255 3.464896 
1 1 1    2   19   -5 o  531.776   2.1708 81650.89  649.584 81773.01  1043.97 81573.74  829.781  532.091   3.3972  531.461   2.7034 0.6299438 4.341542 
1 1 1    2   20   -5 o  718.793   3.2312 149209.41  1339.13 148492.70  1839.17 150018.00  1953.63  716.964   4.4416  720.622   4.6941 -3.657898 6.462364 
1 1 1    2   21   -5 o  911.081   4.8941 239278.91  2487.13 242448.80  4099.89 237433.09  3128.54  915.730   7.7521  906.433   5.9762 9.297363 9.788233 
1 1 1    2   22   -5 o  439.284   2.4852 56055.73  590.321 56650.00  720.115 54838.17  1030.75  442.876   2.8154  435.692   4.0963 7.184357 4.970485 
1 1 1    2   23   -5 f  195.923   1.4792 11020.96  159.281 11296.47  272.274 10877.62  196.394  197.770   2.3837  194.076   1.7522 3.694351 2.958423 
1 1 1    2   24   -5 o  581.196   5.4776 97635.33  1838.63   0.0000   0.0000 97635.33  1838.63  ?   ?   581.196   5.4776      ?      ? 
1 1 1    2   25   -5 o  595.451   3.8714 102542.20  1330.70 98896.76  1883.99 106171.40  1879.80  584.873   5.5774  606.028   5.3707 -21.15479 7.742876 
1 1 1    2   26   -5 o  278.137   2.2141 22446.09  352.646 23172.29  473.441 21541.07  528.527  283.221   2.8944  273.052   3.3515 10.16815 4.428299 
1 1 1    2   27   -5 o  250.960   2.0655 18222.80  298.080 18506.40  404.914 17887.29  440.418  253.100   2.7700  248.819   3.0648 4.281204 4.131082 
1 1 1    2   28   -5 o  393.962   2.3038 44990.00  495.097 44424.61  851.620 45278.64  608.491  392.041   3.7612  395.884   2.6613 -3.842529 4.607551 
1 1 1    2   29   -5 o  294.013   1.7749 25183.44  257.448 24574.04  522.176 25379.14  295.914  291.605   3.1005  296.421   1.7285 -4.816345 3.549796 
1 1 1    2   30   -5 o  261.083   1.7866 19797.27  254.345 19386.61  436.944 20007.74  312.803  258.998   2.9211  263.168   2.0580 -4.170288 3.573262 
1 1 1    2   31   -5 o  143.933   1.5846  5987.62  126.186  5979.59  211.242  5992.08  157.344  143.846   2.5427  144.020   1.8917 -0.1738434 3.169185 
1 1 1    2   32   -5 o  366.681   2.4865 38859.25  526.584   0.0000   0.0000 38859.25  526.584  ?   ?   366.681   2.4865      ?      ? 
1 1 1    2   33   -5 o  132.113   1.5057  5042.00  114.887   0.0000   0.0000  5042.00  114.887  ?   ?   132.113   1.5057      ?      ? 
1 1 1    2   34   -5 o  301.412   1.8760 26250.99  326.564   0.0000   0.0000 26250.99  326.564  ?   ?   301.412   1.8760      ?      ? 
1 1 1    2   35   -5 o  222.027   1.8411 14244.43  236.087   0.0000   0.0000 14244.43  236.087  ?   ?   222.027   1.8411      ?      ? 
1 1 1    2   36   -5 o  184.591   1.8875  9846.49  201.223   0.0000   0.0000  9846.49  201.223  ?   ?   184.591   1.8875      ?      ? 
1 1 1    2   37   -5 o  129.432   2.0799  4841.93  155.477   0.0000   0.0000  4841.93  155.477  ?   ?   129.432   2.0799      ?      ? 
1 1 1    2   38   -5 o  258.337   1.6500 19283.57  246.182   0.0000   0.0000 19283.57  246.182  ?   ?   258.337   1.6500      ?      ? 
1 1 1    2   39   -5 o  122.042   2.2319  4306.29  157.316   0.0000   0.0000  4306.29  157.316  ?   ?   122.042   2.2319      ?      ? 
1 1 1    2   40   -5 o  102.590   2.4168  3034.42  142.119  2935.49  188.407  3165.02  216.477  100.677   3.2403  104.504   3.5867 -3.827621 4.833591 
1 1 1    2   41   -5 o  152.105   2.0527  6679.76  178.248  6572.92  234.072  6827.24  275.009  150.691   2.6895  153.519   3.1017 -2.827774 4.105370 
1 1 1    2   42   -5 o  102.066   2.9050  3018.29  171.244   0.0000   0.0000  3018.29  171.244  ?   ?   102.066   2.9050      ?      ? 
1 1 1    2   43   -5 o  127.369   2.3233  4697.14  170.902   0.0000   0.0000  4697.14  170.902  ?   ?   127.369   2.3233      ?      ? 
1 1 1    2   44   -5 o  206.514   1.9613 12345.01  233.920   0.0000   0.0000 12345.01  233.920  ?   ?   206.514   1.9613      ?      ? 
1 1 1    2   45   -5 o   91.689   2.6562  2464.45  137.472  2501.37  177.411  2408.97  217.481   92.665   3.3150   90.713   4.1511 1.951469 5.312333 
1 1 1    2   46   -5 o  134.057   1.9632  5265.71  150.243  5493.87  200.584  4974.09  226.770  137.478   2.5262  130.636   3.0057 6.842728 3.926310 
1 1 1    2   47   -5 o   32.739   8.2168  349.461  155.120  349.461  155.120   0.0000   0.0000   32.739   8.2168  ?   ?       ?      ? 
1 1 1    2   48   -5 o   72.847   3.9265  1571.34  165.198  1571.34  165.198   0.0000   0.0000   72.847   3.9265  ?   ?       ?      ? 
1 1 1    2   49   -5 o   75.368   3.7546  1684.71  163.430  1684.71  163.430   0.0000   0.0000   75.368   3.7546  ?   ?       ?      ? 
1 1 1    2   50   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0   -6 o  947.855   5.8850 259778.80  3220.50 257701.91  4585.96 261799.59  4523.62  944.104   8.4121  951.606   8.2322 -0.000000 0.000000 
1 1 1    2    1   -6 o  346.399   1.4500 34632.28  285.408 34531.45  371.479 34777.56  445.887  345.787   1.8601  347.010   2.2248 -1.222992 2.899985 
1 1 1    2    2   -6 o  652.462   2.4093 122974.90  907.392 122872.10  1304.51 123071.20  1262.99  652.195   3.4632  652.730   3.3503 -0.5351563 4.818557 
1 1 1    2    3   -6 o  137.263   1.0775  5472.10   67.401  5390.88  152.915  5491.69   75.089  136.625   1.9379  137.902   0.9428 -1.276901 2.155081 
1 1 1    2    4   -6 o  790.170   3.9062 180794.70  1553.07 179762.00  3073.31 181148.80  1799.78  788.485   6.7488  791.855   3.9354 -3.369507 7.812427 
1 1 1    2    5   -6 o   86.289   0.8897  2147.21   43.620  2133.43   56.720  2167.15   68.243   85.952   1.1426   86.627   1.3640 -0.6758270 1.779343 
1 1 1    2    6   -6 o  466.093   2.4115 63181.27  558.589 61917.69  1122.08 63597.57  644.068  462.934   4.1968  469.253   2.3765 -6.319397 4.822972 
1 1 1    2    7   -6 o  344.623   1.3947 34317.83  261.980 34245.68  452.595 34354.18  321.274  344.344   2.2758  344.902   1.6129 -0.5582581 2.789361 
1 1 1    2    8   -6 o  639.168   2.1385 117867.60  780.497 117095.00  1027.68 118920.70  1199.77  636.709   2.7947  641.627   3.2377 -4.918579 4.276990 
1 1 1    2    9   -6 o  145.817   0.9876  6140.09   83.162  6160.81  118.491  6119.96  116.746  146.059   1.4047  145.574   1.3886 0.4849548 1.975155 
1 1 1    2   10   -6 o  672.974   2.7150 130818.10  1035.70 130936.00  1629.26 130738.30  1341.69  673.201   4.1904  672.746   3.4531 0.4552002 5.429917 
1 1 1    2   11   -6 o  291.552   1.4505 24545.11  244.197 24347.99  341.629 24751.05  349.187  290.356   2.0372  292.749   2.0653 -2.392975 2.900976 
1 1 1    2   12   -6 o  525.075   2.1441 79741.82  636.891 79089.30  1005.81 80178.58  822.881  523.268   3.3282  526.883   2.7042 -3.614685 4.288281 
1 1 1    2   13   -6 o  453.627   1.6592 59431.60  434.652 59282.47  618.233 59577.34  611.208  453.064   2.3627  454.190   2.3301 -1.126068 3.318354 
1 1 1    2   14   -6 o  430.467   1.5865 53531.08  394.295 52590.57  561.257 54447.58  554.047  426.732   2.2773  434.202   2.2094 -7.470001 3.172927 
1 1 1    2   15   -6 o  245.768   1.2501 17443.59  177.438 17403.47  251.979 17483.07  249.904  245.487   1.7773  246.048   1.7586 -0.5608978 2.500271 
1 1 1    2   16   -6 o  454.212   1.6725 59580.47  438.739 59920.94  621.940 59243.20  619.011  455.504   2.3641  452.921   2.3664 2.583374 3.344999 
1 1 1    2   17   -6 o  113.183   1.4239  3660.96   87.084  3592.54  105.401  3808.11  154.579  111.536   1.6362  114.831   2.3308 -3.294975 2.847801 
1 1 1    2   18   -6 o  254.689   1.3377 18732.76  196.771 18745.04  277.818 18720.39  278.737  254.773   1.8881  254.605   1.8956 0.1675873 2.675459 
1 1 1    2   19   -6 o  410.385   1.6699 48504.60  389.277 49368.27  610.837 47913.96  505.142  413.449   2.5581  407.320   2.1473 6.128510 3.339876 
1 1 1    2   20   -6 o  172.011   1.2708  8497.64  112.604  8441.43  131.930  8648.48  216.099  170.971   1.3361  173.051   2.1622 -2.079376 2.541696 
1 1 1    2   21   -6 f  739.366   4.8014 158289.41  2035.39 160369.00  2729.02 155682.30  3055.51  744.895   6.3435  733.838   7.2094 11.05762 9.602851 
1 1 1    2   22   -6 o  324.857   2.2233 30465.95  416.793 30107.28  576.319 30859.22  603.489  322.855   3.0908  326.859   3.1969 -4.004181 4.446676 
1 1 1    2   23   -6 o   58.236   2.8500  985.267   93.794  952.546  147.553  1007.45  121.501   57.417   4.4496   59.055   3.5624 -1.637627 5.699930 
1 1 1    2   24   -6 o  165.608   1.5581  7909.95  139.549  7953.06  245.296  7889.32  169.683  165.936   2.5595  165.280   1.7776 0.6569061 3.116271 
1 1 1    2   25   -6 o  403.161   2.7852 46951.27  648.525 46951.27  648.525   0.0000   0.0000  403.161   2.7852  ?   ?       ?      ? 
1 1 1    2   26   -6 o  170.109   1.8623  8357.60  182.967  8357.60  182.967   0.0000   0.0000  170.109   1.8623  ?   ?       ?      ? 
1 1 1    2   27   -6 o  490.323   3.4861 69532.63  984.681 69649.36  1346.00 69398.21  1444.28  490.791   4.7486  489.855   5.1050 0.9356689 6.972126 
1 1 1    2   28   -6 f  378.060   2.8182 41600.15  609.175 43643.16  818.270 39060.04  912.403  388.578   3.6461  367.542   4.2983 21.03546 5.636444 
1 1 1    2   29   -6 o   73.758   2.7808  1575.77  117.306  1593.18  155.886  1553.05  178.120   74.236   3.6359   73.281   4.2086 0.9547272 5.561648 
1 1 1    2   30   -6 o  114.308   2.0492  3774.80  135.284   0.0000   0.0000  3774.80  135.284  ?   ?   114.308   2.0492      ?      ? 
1 1 1    2   31   -6 o   98.398   1.8708  2817.05   98.580  2747.85  175.131  2849.14  119.270   97.492   3.1104   99.304   2.0796 -1.812454 3.741536 
1 1 1    2   32   -6 o  167.348   1.4842  8089.67  143.452   0.0000   0.0000  8089.67  143.452  ?   ?   167.348   1.4842      ?      ? 
1 1 1    2   33   -6 o   91.056   2.2596  2400.66  117.792  2416.90  156.853  2379.66  178.381   91.420   2.9708   90.692   3.4056 0.7274704 4.519228 
1 1 1    2   34   -6 o   98.372   2.1698  2795.74  123.185  2944.51  177.507  2657.53  171.091  100.894   3.0462   95.849   3.0907 5.045006 4.339555 
1 1 1    2   35   -6 o  219.971   1.8728 13982.24  237.929   0.0000   0.0000 13982.24  237.929  ?   ?   219.971   1.8728      ?      ? 
1 1 1    2   36   -6 f  107.278   1.9396  3303.02  116.952  3436.45  190.214  3221.92  148.294  108.990   3.0218  105.566   2.4323 3.423347 3.879101 
1 1 1    2   37   -6 o  241.736   2.0484 16889.46  285.991   0.0000   0.0000 16889.46  285.991  ?   ?   241.736   2.0484      ?      ? 
1 1 1    2   38   -6 o  297.624   1.8294 25598.65  314.464   0.0000   0.0000 25598.65  314.464  ?   ?   297.624   1.8294      ?      ? 
1 1 1    2   39   -6 o  286.050   1.7755 23647.30  293.323   0.0000   0.0000 23647.30  293.323  ?   ?   286.050   1.7755      ?      ? 
1 1 1    2   40   -6 o  153.225   2.2478  6789.60  198.917   0.0000   0.0000  6789.60  198.917  ?   ?   153.225   2.2478      ?      ? 
1 1 1    2   41   -6 o  192.912   2.1330 10763.32  237.654   0.0000   0.0000 10763.32  237.654  ?   ?   192.912   2.1330      ?      ? 
1 1 1    2   42   -6 o  120.765   2.2419  4227.75  154.725  4220.41  204.466  4237.60  236.680  120.678   2.9336  120.852   3.3910 -0.1736450 4.483838 
1 1 1    2   43   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   44   -6 o   78.955   3.7768  1817.05  172.221  1817.05  172.221   0.0000   0.0000   78.955   3.7768  ?   ?       ?      ? 
1 1 1    2   45   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   46   -6 o   80.900   3.6134  1916.82  168.828  1916.82  168.828   0.0000   0.0000   80.900   3.6134  ?   ?       ?      ? 
1 1 1    2   47   -6 o   62.791   3.6302  1159.50  131.648  1159.50  131.648   0.0000   0.0000   62.791   3.6302  ?   ?       ?      ? 
1 1 1    2   48   -6 o   28.456   5.9226  296.842  130.899  441.306  149.995 -164.6207  268.081   36.948   7.2880   19.964   9.3377 16.98466 11.84513 
1 1 1    2   49   -6 o   66.695   3.2480  1313.43  123.225  1205.46  158.674  1477.50  195.596   63.452   4.3299   69.937   4.8424 -6.485214 6.495909 
1 1 1    2   50   -6 f   23.426   8.5809  169.325  151.734   0.0000   0.0000  169.325  151.734  ?   ?    23.426   8.5809      ?      ? 
1 1 1    2   51   -6 o  109.360   2.6836  3515.44  169.495   0.0000   0.0000  3515.44  169.495  ?   ?   109.360   2.6836      ?      ? 
1 1 1    2   52   -6 o   40.065   4.9387  542.215  109.046  482.374  165.863  587.772  144.720   37.096   7.9786   43.034   5.8228 -5.937763 9.877385 
1 1 1    2    0   -7 f  221.034   1.4284 14143.33  170.246 14026.61  299.788 14198.90  206.833  220.347   2.3563  221.721   1.6154 -0.000000 0.000000 
1 1 1    2    1   -7 o  329.860   1.5413 31429.27  293.580 31028.20  416.878 31823.88  413.511  327.771   2.2022  331.948   2.1569 -4.177002 3.082507 
1 1 1    2    2   -7 o  118.870   0.8660  4097.21   57.998  4003.40   92.304  4158.41   74.554  117.740   1.3574  119.999   1.0757 -2.258850 1.731975 
1 1 1    2    3   -7 o  495.873   1.7970 71018.67  514.643 71157.13  729.856 70881.75  725.791  496.353   2.5460  495.392   2.5367 0.9610596 3.594062 
1 1 1    2    4   -7 f   41.841   1.2311  505.787   29.725  511.010   41.322  500.185   42.792   42.065   1.7009   41.617   1.7804 0.4481087 2.462252 
1 1 1    2    5   -7 o  284.846   1.3769 23431.15  226.472 23354.02  316.830 23511.74  323.846  284.367   1.9291  285.325   1.9652 -0.9579773 2.753847 
1 1 1    2    6   -7 o   66.429   1.0900  1285.90   39.285  1240.54   67.904  1308.72   48.164   65.540   1.7939   67.319   1.2388 -1.778595 2.180071 
1 1 1    2    7   -7 o  221.613   1.3489 14118.30  149.238 14054.10  171.975 14314.08  300.320  220.603   1.3498  222.622   2.3358 -2.019043 2.697737 
1 1 1    2    8   -7 o  333.317   1.2848 32085.24  247.331 31859.93  349.159 32312.16  350.401  332.142   1.8202  334.491   1.8138 -2.349091 2.569632 
1 1 1    2    9   -7 o  622.683   2.1239 111827.40  759.903 113611.90  1137.55 110389.40  1021.18  627.155   3.1406  618.211   2.8601 8.943848 4.247742 
1 1 1    2   10   -7 f  180.126   0.9570  9373.40   97.939  9390.20  127.599  9349.31  152.795  180.323   1.2252  179.928   1.4704 0.3946686 1.913922 
1 1 1    2   11   -7 o  228.202   1.3730 14945.97  160.580 15242.40  310.840 14838.06  187.544  229.732   2.3428  226.673   1.4326 3.058273 2.746068 
1 1 1    2   12   -7 o  105.305   1.0350  3202.82   62.922  3185.95   90.172  3218.82   87.844  105.034   1.4865  105.575   1.4407 -0.5406342 2.070056 
1 1 1    2   13   -7 o  576.348   3.0659 95495.48  878.937 96869.90  1778.66 95051.42  1011.00  579.026   5.3187  573.671   3.0514 5.355530 6.131900 
1 1 1    2   14   -7 o  398.208   1.8381 45790.75  422.695 45403.93  593.302 46189.49  602.364  396.501   2.5909  399.916   2.6080 -3.415039 3.676171 
1 1 1    2   15   -7 o  1378.27   8.4972 549198.50  6763.89 549198.50  6763.89   0.0000   0.0000  1378.27   8.4972  ?   ?       ?      ? 
1 1 1    2   16   -7 o  337.614   1.4761 32926.09  283.202 32868.48  441.639 32966.32  369.075  337.361   2.2667  337.867   1.8914 -0.5058289 2.952148 
1 1 1    2   17   -7 o  585.804   2.8754 98778.63  866.497 98368.73  1015.01 99879.99  1663.81  583.606   3.0114  588.001   4.8994 -4.395752 5.750853 
1 1 1    2   18   -7 o   67.727   1.9728  1325.62   74.167  1327.92   92.891  1321.57  123.181   67.809   2.3719   67.644   3.1530 0.1647949 3.945584 
1 1 1    2   19   -7 o  127.466   1.4475  4713.01   99.593  4751.31  121.217  4633.42  174.710  128.268   1.6363  126.663   2.3883 1.604790 2.895041 
1 1 1    2   20   -7 o  474.198   2.9989 64958.89  821.294 64439.97  1161.07 65478.55  1161.90  472.302   4.2565  476.095   4.2256 -3.792114 5.997808 
1 1 1    2   21   -7 o  134.335   1.6357  5211.38  126.869  5227.67  181.676  5195.88  177.246  134.539   2.3381  134.130   2.2881 0.4093475 3.271373 
1 1 1    2   22   -7 o  295.012   2.2933 25135.87  390.730   0.0000   0.0000 25135.87  390.730  ?   ?   295.012   2.2933      ?      ? 
1 1 1    2   23   -7 o  297.017   2.2020 25516.17  374.705 25754.46  500.556 25212.43  565.127  298.602   2.9025  295.432   3.3121 3.170441 4.403933 
1 1 1    2   24   -7 o  131.829   1.5804  4958.99  113.788  5203.54  198.145  4838.66  138.992  134.221   2.5561  129.437   1.8593 4.784210 3.160788 
1 1 1    2   25   -7 o  166.905   1.9068  8045.72  183.805  8045.72  183.805   0.0000   0.0000  166.905   1.9068  ?   ?       ?      ? 
1 1 1    2   26   -7 o  411.500   2.8441 48918.99  675.923 48918.99  675.923   0.0000   0.0000  411.500   2.8441  ?   ?       ?      ? 
1 1 1    2   27   -7 o  361.376   2.7153 37812.00  564.262 38506.07  767.259 36994.43  832.730  365.011   3.6396  357.741   4.0304 7.270081 5.430539 
1 1 1    2   28   -7 o  225.869   1.9156 14736.30  249.891 14736.30  249.891   0.0000   0.0000  225.869   1.9156  ?   ?       ?      ? 
1 1 1    2   29   -7 o  238.589   1.7178 16425.21  226.635 16522.51  380.554 16371.74  282.120  239.117   2.7556  238.060   2.0519 1.057144 3.435672 
1 1 1    2   30   -7 o  206.283   1.7830 12294.61  212.406 12140.67  298.178 12453.19  302.647  204.973   2.5188  207.594   2.5243 -2.621170 3.566005 
1 1 1    2   31   -7 o  146.739   1.6037  6234.39  130.711  6176.59  216.413  6267.58  164.005  146.189   2.5632  147.289   1.9280 -1.099609 3.207352 
1 1 1    2   32   -7 o  101.165   2.2614  2957.67  132.128   0.0000   0.0000  2957.67  132.128  ?   ?   101.165   2.2614      ?      ? 
1 1 1    2   33   -7 o   43.157   4.5879  559.027  109.419  642.805  149.811  463.237  160.192   47.060   5.5120   39.254   7.3357 7.805679 9.175735 
1 1 1    2   34   -7 o  221.862   1.5737 14355.08  177.226 13958.20  344.046 14498.44  206.770  219.706   2.7114  224.017   1.5982 -4.310394 3.147318 
1 1 1    2   35   -7 o  105.007   2.0439  3175.16  117.430  3233.24  202.278  3145.63  144.222  105.701   3.3135  104.312   2.3939 1.388908 4.087794 
1 1 1    2   36   -7 o   90.731   2.2995  2379.72  120.494   0.0000   0.0000  2379.72  120.494  ?   ?    90.731   2.2995      ?      ? 
1 1 1    2   37   -7 o  315.268   2.3349 28735.25  425.148   0.0000   0.0000 28735.25  425.148  ?   ?   315.268   2.3349      ?      ? 
1 1 1    2   38   -7 o   91.888   2.7729  2443.72  146.932  2393.22  201.469  2501.09  214.753   90.882   3.8384   92.894   4.0028 -2.011856 5.545779 
1 1 1    2   39   -7 o  103.771   2.4832  3109.82  146.904  3060.22  192.172  3179.54  227.868  102.804   3.2367  104.738   3.7670 -1.934593 4.966496 
1 1 1    2   40   -7 o  198.498   1.9555 11404.02  223.875 10621.40  313.849 12214.77  319.439  191.553   2.8369  205.443   2.6922 -13.89073 3.911033 
1 1 1    2   41   -7 o   51.158   5.6149  899.211  142.670  1207.21  184.897  445.992  224.292   64.373   4.9733   37.943   10.069 26.42966 11.22981 
1 1 1    2   42   -7 o  189.715   1.9926 10384.95  217.728  9855.06  294.878 11020.12  322.847  184.428   2.7684  195.002   2.8666 -10.57359 3.985185 
1 1 1    2   43   -7 o   91.573   2.8041  2392.73  146.727  2093.68  191.475  2818.15  228.372   84.794   3.9099   98.353   4.0204 -13.55915 5.608113 
1 1 1    2   44   -7 o  155.250   2.2057  7000.33  197.484  6881.71  271.129  7134.38  288.222  153.874   3.0509  156.627   3.1862 -2.753448 4.411339 
1 1 1    2   45   -7 o   87.432   3.5237  2232.03  177.933   0.0000   0.0000  2232.03  177.933  ?   ?    87.432   3.5237      ?      ? 
1 1 1    2   46   -7 o   85.062   3.2344  2114.77  158.897   0.0000   0.0000  2114.77  158.897  ?   ?    85.062   3.2344      ?      ? 
1 1 1    2   47   -7 o  ?   ?  -678.3963  145.045   0.0000   0.0000 -678.3963  145.045  ?   ?   ?   ?       ?      ? 
1 1 1    2   48   -7 o   38.269   7.0009  470.307  149.032   0.0000   0.0000  470.307  149.032  ?   ?    38.269   7.0009      ?      ? 
1 1 1    2   49   -7 o   45.482   5.8637  626.445  144.362  491.754  174.604  917.435  256.640   38.245   8.1540   52.720   8.4288 -14.47483 11.72745 
1 1 1    2   50   -7 o   43.463   6.7043  650.544  150.164  633.230  175.485  697.891  290.196   44.567   6.8178   42.358   11.546 2.208237 13.40862 
1 1 1    2   51   -7 o   91.762   3.2950  2437.75  160.429  2252.69  189.438  2907.06  301.672   86.744   3.7813   96.779   5.3972 -10.03460 6.589988 
1 1 1    2   52   -7 o   44.913   5.9447  644.983  154.200   0.0000   0.0000  644.983  154.200  ?   ?    44.913   5.9447      ?      ? 
1 1 1    2    0   -8 o  248.446   1.5225 17718.55  205.983 18162.33  358.742 17500.28  251.590  250.741   2.4778  246.151   1.7699 -0.000000 0.000000 
1 1 1    2    1   -8 o  216.926   1.0472 13626.15  128.527 13404.94  202.482 13775.42  166.332  215.446   1.6273  218.406   1.3186 -2.959854 2.094486 
1 1 1    2    2   -8 o  1219.60   7.0093 432107.59  4625.04 426962.00  8085.01 434610.50  5638.79  1213.55   11.535  1225.64   7.9660 -12.08594 14.01870 
1 1 1    2    3   -8 o  274.067   1.8059 21776.38  264.852 21913.57  319.800 21476.83  472.559  275.456   2.0102  272.677   3.0007 2.778961 3.611800 
1 1 1    2    4   -8 o  140.083   0.8930  5670.74   70.962  5687.33   92.155  5646.57  111.224  140.336   1.1370  139.831   1.3772 0.5049438 1.785946 
1 1 1    2    5   -8 o  235.426   1.5437 16042.38  197.155 15906.22  343.274 16109.40  240.839  234.674   2.5327  236.179   1.7656 -1.505661 3.087431 
1 1 1    2    6   -8 o  144.529   0.8125  6030.41   67.813  6157.14   96.878  5908.66   94.955  146.017   1.1488  143.040   1.1494 2.976715 1.625062 
1 1 1    2    7   -8 f  386.365   1.7552 43161.26  376.115 43282.20  470.677 42947.58  625.598  387.124   2.1052  385.605   2.8091 1.518311 3.510383 
1 1 1    2    8   -8 o  587.962   2.0455 99834.94  689.752 99985.94  1039.10 99715.99  922.235  588.352   3.0580  587.573   2.7177 0.7792358 4.091080 
1 1 1    2    9   -8 o  200.412   1.1610 11601.51  134.311 11671.14  187.291 11527.79  192.712  201.032   1.6131  199.793   1.6701 1.238846 2.321942 
1 1 1    2   10   -8 o  533.809   2.2509 82510.92  667.223 83059.47  837.126 81555.47  1104.81  536.266   2.7029  531.353   3.6001 4.912415 4.501833 
1 1 1    2   11   -8 o  252.871   1.2655 18465.48  184.763 18502.66  264.730 18430.18  257.988  253.119   1.8109  252.623   1.7682 0.4958344 2.531013 
1 1 1    2   12   -8 o  169.164   1.1224  8262.81  109.617  8222.32  152.683  8305.87  157.472  168.737   1.5667  169.592   1.6077 -0.8549042 2.244874 
1 1 1    2   13   -8 o  204.087   1.3091 11956.35  137.022 12185.32  264.905 11872.71  160.104  205.410   2.2330  202.764   1.3672 2.646454 2.618272 
1 1 1    2   14   -8 o  1028.43   4.3222 305922.81  2474.03 306779.50  3110.63 304447.81  4081.49  1030.48   5.2267  1026.39   6.8853 4.091431 8.644380 
1 1 1    2   15   -8 o   98.145   1.7604  2782.26   99.740  2797.39  139.239  2766.32  142.941   98.419   2.4496   97.871   2.5288 0.5482559 3.520733 
1 1 1    2   16   -8 o  792.818   3.4445 181573.91  1576.80 181814.59  2256.19 181344.00  2204.57  793.329   4.9242  792.308   4.8178 1.020935 6.889023 
1 1 1    2   17   -8 o  110.091   1.3657  3471.29   77.525  3436.74   90.812  3564.15  148.864  109.091   1.4413  111.092   2.3202 -2.000809 2.731438 
1 1 1    2   18   -8 o  284.653   1.7500 23290.55  268.764 23709.22  476.013 23094.62  325.635  286.516   2.8766  282.789   1.9938 3.727264 3.500043 
1 1 1    2   19   -8 o  517.785   2.6741 77808.05  760.761 78648.21  943.274 76244.59  1286.77  521.825   3.1299  513.744   4.3368 8.080994 5.348257 
1 1 1    2   20   -8 o  133.129   1.7772  5118.33  136.644  5118.33  136.644   0.0000   0.0000  133.129   1.7772  ?   ?       ?      ? 
1 1 1    2   21   -8 o  180.652   1.4705  9458.13  146.147  9534.86  181.342  9315.93  246.857  181.704   1.7280  179.599   2.3799 2.104187 2.941078 
1 1 1    2   22   -8 o  358.864   2.4875 37195.68  515.550 37195.68  515.550   0.0000   0.0000  358.864   2.4875  ?   ?       ?      ? 
1 1 1    2   23   -8 o  630.906   4.2628 115212.30  1545.12 116389.70  2086.95 113783.90  2298.60  634.518   5.6949  627.293   6.3446 7.225220 8.525609 
1 1 1    2   24   -8 o  264.275   1.7768 20188.84  260.921 20116.22  432.253 20230.47  327.270  263.892   2.8361  264.658   2.1411 -0.7665710 3.553576 
1 1 1    2   25   -8 o  160.953   1.8096  7448.71  167.758  7952.30  248.721  7028.40  227.227  165.920   2.5955  155.986   2.5223 9.934464 3.619196 
1 1 1    2   26   -8 o  298.071   2.2317 25663.63  384.178 25663.63  384.178   0.0000   0.0000  298.071   2.2317  ?   ?       ?      ? 
1 1 1    2   27   -8 o  164.320   1.8914  7799.05  179.502  7799.05  179.502   0.0000   0.0000  164.320   1.8914  ?   ?       ?      ? 
1 1 1    2   28   -8 o   75.971   2.7073  1710.27  108.444  1775.68  130.586  1564.93  194.655   78.389   2.8844   73.552   4.5823 4.836845 5.414537 
1 1 1    2   29   -8 o  174.113   1.8010  8746.28  180.795  8543.99  247.395  8978.16  264.864  171.958   2.4911  176.268   2.6017 -4.310150 3.602006 
1 1 1    2   30   -8 o  176.767   1.9926  9027.30  203.426   0.0000   0.0000  9027.30  203.426  ?   ?   176.767   1.9926      ?      ? 
1 1 1    2   31   -8 o   24.205   6.7354   97.597  138.743   53.968  208.367  132.348  185.962   23.438   9.6181   24.972   9.4314 -1.534510 13.47071 
1 1 1    2   32   -8 o  170.279   1.7396  8395.52  159.551  8340.17  281.740  8421.65  193.583  169.836   2.8723  170.722   1.9633 -0.8864136 3.479214 
1 1 1    2   33   -8 o  122.516   1.9423  4344.02  127.250  4350.29  153.381  4330.17  227.924  122.688   2.1646  122.343   3.2257 0.3453445 3.884691 
1 1 1    2   34   -8 o  180.898   1.8840  9451.07  196.622  8855.81  273.356 10089.19  283.029  174.999   2.7046  186.796   2.6235 -11.79695 3.767969 
1 1 1    2   35   -8 o   96.868   2.4716  2747.44  136.602  3134.99  189.389  2327.18  197.219  104.092   3.1503   89.644   3.8093 14.44846 4.943168 
1 1 1    2   36   -8 o  274.972   2.2022 21879.05  349.651 21335.86  493.952 22424.59  495.013  271.545   3.1496  278.399   3.0787 -6.854431 4.404351 
1 1 1    2   37   -8 o   80.240   2.9300  1869.03  135.508  1921.31  187.447  1811.79  196.122   81.428   3.9858   79.052   4.2957 2.376801 5.859991 
1 1 1    2   38   -8 o   56.402   4.8140  878.119  152.363  1175.26  254.166  711.448  190.357   63.431   6.9380   49.373   6.6757 14.05790 9.628061 
1 1 1    2   39   -8 o  182.005   2.1666  9591.39  227.683  9878.33  322.563  9306.47  321.424  184.725   3.0235  179.286   3.1042 5.438660 4.333273 
1 1 1    2   40   -8 o  157.956   1.9265  7239.50  167.432  7163.43  282.991  7280.46  207.682  157.259   3.1158  158.653   2.2666 -1.393997 3.852995 
1 1 1    2   41   -8 o  145.674   1.9366  6014.05  137.777  6393.02  289.495  5903.07  156.657  148.470   3.3761  142.878   1.8984 5.592270 3.873276 
1 1 1    2   42   -8 o   48.045   4.5319  593.677  109.876  866.484  233.305  515.924  124.554   54.079   7.4699   42.011   5.1334 12.06752 9.063725 
1 1 1    2   43   -8 o  125.506   2.1424  4539.95  143.449  4660.42  259.767  4487.09  172.064  126.569   3.5536  124.444   2.3940 2.124901 4.284825 
1 1 1    2   44   -8 o   34.070   5.9884  293.381  106.202  560.096  218.513  210.893  121.520   41.984   9.2605   26.157   7.5951 15.82655 11.97674 
1 1 1    2   45   -8 o   71.354   3.0381  1483.30  125.199   0.0000   0.0000  1483.30  125.199  ?   ?    71.354   3.0381      ?      ? 
1 1 1    2   46   -8 f   96.015   2.8788  2689.58  159.637   0.0000   0.0000  2689.58  159.637  ?   ?    96.015   2.8788      ?      ? 
1 1 1    2   47   -8 o   54.979   4.6785  902.557  148.554   0.0000   0.0000  902.557  148.554  ?   ?    54.979   4.6785      ?      ? 
1 1 1    2   48   -8 o   34.394   7.6415  389.998  147.850   0.0000   0.0000  389.998  147.850  ?   ?    34.394   7.6415      ?      ? 
1 1 1    2   49   -8 o   78.005   3.6610  1805.72  164.935   0.0000   0.0000  1805.72  164.935  ?   ?    78.005   3.6610      ?      ? 
1 1 1    2   50   -8 o   73.904   3.8107  1630.12  162.650   0.0000   0.0000  1630.12  162.650  ?   ?    73.904   3.8107      ?      ? 
1 1 1    2   51   -8 o   81.264   3.5262  1970.31  165.498   0.0000   0.0000  1970.31  165.498  ?   ?    81.264   3.5262      ?      ? 
1 1 1    2   52   -8 f   46.118   6.2950  691.497  167.670   0.0000   0.0000  691.497  167.670  ?   ?    46.118   6.2950      ?      ? 
1 1 1    2    0   -9 o  111.072   1.1937  3566.02   72.397  3562.71  124.498  3567.71   88.990  111.020   1.9430  111.124   1.3871 -0.000000 0.000000 
1 1 1    2    1   -9 o  783.758   3.2050 177479.20  1426.90 177414.09  1857.10 177573.09  2229.42  783.625   4.1034  783.891   4.9244 -0.2653198 6.409930 
1 1 1    2    2   -9 o  225.071   1.5095 14672.31  182.440 14745.16  220.868 14515.86  323.672  225.958   1.6925  224.184   2.4999 1.774979 3.018901 
1 1 1    2    3   -9 o  417.343   1.6865 50465.28  387.385 49774.79  653.920 50838.63  480.840  415.126   2.7275  419.560   1.9844 -4.434143 3.372945 
1 1 1    2    4   -9 o   88.914   1.3911  2311.96   67.831  2378.85   84.341  2189.46  114.139   90.759   1.6090   87.068   2.2698 3.690964 2.782260 
1 1 1    2    5   -9 o  215.140   1.4226 13443.54  155.413 13207.51  302.384 13528.27  181.174  213.844   2.4484  216.437   1.4494 -2.592896 2.845200 
1 1 1    2    6   -9 o  202.236   1.5103 11762.75  162.411 11686.57  194.485 11938.30  295.224  201.164   1.6740  203.309   2.5143 -2.145386 3.020549 
1 1 1    2    7   -9 o  263.173   1.3070 20004.18  198.636 19747.26  281.552 20258.79  280.280  261.491   1.8643  264.856   1.8323 -3.365601 2.613993 
1 1 1    2    8   -9 o  123.965   0.9489  4420.98   66.355  4360.78   84.876  4515.60  106.415  122.884   1.1959  125.046   1.4735 -2.161285 1.897738 
1 1 1    2    9   -9 o  171.500   1.3123  8475.11  122.251  8438.54  149.215  8549.78  213.215  170.941   1.5114  172.059   2.1456 -1.118515 2.624519 
1 1 1    2   10   -9 o  115.031   0.9868  3821.05   65.557  3843.49   93.178  3799.06   92.253  115.366   1.3985  114.697   1.3927 0.6686020 1.973627 
1 1 1    2   11   -9 o  688.414   2.1784 136866.80  865.675 136547.80  1204.68 137207.30  1244.81  687.587   3.0336  689.242   3.1271 -1.654785 4.356791 
1 1 1    2   12   -9 o  208.298   1.4897 12535.83  172.322 12509.69  285.996 12550.73  215.918  208.125   2.3793  208.471   1.7933 -0.3455505 2.979442 
1 1 1    2   13   -9 o  179.057   1.3488  9243.66  131.491  9213.17  160.893  9304.98  228.174  178.615   1.5597  179.499   2.2010 -0.8842773 2.697582 
1 1 1    2   14   -9 o  224.855   1.4332 14600.72  186.115 14600.72  186.115   0.0000   0.0000  224.855   1.4332  ?   ?       ?      ? 
1 1 1    2   15   -9 o  628.073   2.5110 113917.30  839.971 113887.30  1008.69 113985.10  1517.10  627.962   2.7812  628.183   4.1816 -0.2210083 5.022066 
1 1 1    2   16   -9 o  258.609   1.5731 19448.94  200.991 19054.07  407.258 19576.08  231.096  256.856   2.7453  260.362   1.5368 -3.505676 3.146226 
1 1 1    2   17   -9 o  461.419   1.8828 61460.25  493.512 61328.30  642.041 61650.78  771.528  460.819   2.4124  462.019   2.8914 -1.199707 3.765598 
1 1 1    2   18   -9 o  187.793   1.4535 10163.46  148.530 10121.57  181.611 10248.08  258.117  187.212   1.6797  188.374   2.3725 -1.161316 2.906912 
1 1 1    2   19   -9 o  512.072   2.7523 75843.01  761.202 75470.02  1337.88 76021.55  925.626  511.111   4.5323  513.033   3.1240 -1.922852 5.504601 
1 1 1    2   20   -9 o  375.700   2.1175 40556.79  427.081 41343.20  763.778 40199.06  515.142  378.322   3.4956  373.079   2.3908 5.242645 4.234979 
1 1 1    2   21   -9 o  215.322   1.7429 13390.49  216.713 13374.25  303.780 13407.31  309.250  215.190   2.4443  215.455   2.4852 -0.2652130 3.485824 
1 1 1    2   22   -9 o  340.938   2.0462 33601.00  402.566 32772.96  576.822 34387.29  562.092  336.837   2.9651  345.038   2.8207 -8.200806 4.092432 
1 1 1    2   23   -9 o  357.523   2.4197 36919.73  499.643 36919.73  499.643   0.0000   0.0000  357.523   2.4197  ?   ?       ?      ? 
1 1 1    2   24   -9 o  148.639   1.8151  6354.65  154.859  6616.79  234.247  6151.14  206.394  151.348   2.6799  145.929   2.4489 5.418884 3.630247 
1 1 1    2   25   -9 o  305.974   1.9450 26932.33  333.018 27499.18  545.615 26595.79  420.408  308.514   3.0621  303.433   2.3990 5.080902 3.889955 
1 1 1    2   26   -9 o  235.157   2.0406 15972.96  277.146 15972.96  277.146   0.0000   0.0000  235.157   2.0406  ?   ?       ?      ? 
1 1 1    2   27   -9 o   20.231   7.7147   81.450  125.185   81.450  125.185   0.0000   0.0000   20.231   7.7147  ?   ?       ?      ? 
1 1 1    2   28   -9 o   75.031   3.2859  1637.10  141.641  1787.92  197.416  1477.09  203.338   78.619   4.3478   71.442   4.9281 7.177177 6.571866 
1 1 1    2   29   -9 o  121.527   2.1141  4266.82  148.382   0.0000   0.0000  4266.82  148.382  ?   ?   121.527   2.1141      ?      ? 
1 1 1    2   30   -9 o  105.600   2.4340  3222.58  148.447   0.0000   0.0000  3222.58  148.447  ?   ?   105.600   2.4340      ?      ? 
1 1 1    2   31   -9 f   88.936   2.6454  2292.17  135.474  2338.25  185.684  2239.73  198.096   89.901   3.5762   87.971   3.8990 1.929688 5.290706 
1 1 1    2   32   -9 o  159.320   1.8838  7353.74  172.974  6971.08  248.149  7715.39  241.241  155.273   2.7671  163.368   2.5568 -8.094269 3.767535 
1 1 1    2   33   -9 o  161.402   2.1209  7570.89  195.528  7275.66  296.228  7798.81  260.282  158.579   3.2344  164.225   2.7442 -5.645981 4.241718 
1 1 1    2   34   -9 o   93.357   2.9453  2459.58  156.709  3049.47  244.855  2050.32  203.951  102.594   4.1324   84.120   4.1980 18.47430 5.890665 
1 1 1    2   35   -9 o   38.668   10.331  456.187  235.104  456.187  235.104   0.0000   0.0000   38.668   10.331  ?   ?       ?      ? 
1 1 1    2   36   -9 o  279.000   2.0473 22523.97  302.729 22500.38  551.207 22534.17  362.253  278.798   3.4233  279.200   2.2465 -0.4019470 4.094574 
1 1 1    2   37   -9 o   62.203   4.7047  1122.89  169.016   0.0000   0.0000  1122.89  169.016  ?   ?    62.203   4.7047      ?      ? 
1 1 1    2   38   -9 o  231.435   2.1793 15485.60  291.297   0.0000   0.0000 15485.60  291.297  ?   ?   231.435   2.1793      ?      ? 
1 1 1    2   39   -9 o   57.220   4.3278  950.571  143.022   0.0000   0.0000  950.571  143.022  ?   ?    57.220   4.3278      ?      ? 
1 1 1    2   40   -9 o  265.225   2.2577 20348.39  345.838   0.0000   0.0000 20348.39  345.838  ?   ?   265.225   2.2577      ?      ? 
1 1 1    2   41   -9 o  115.069   2.7002  3834.90  179.446   0.0000   0.0000  3834.90  179.446  ?   ?   115.069   2.7002      ?      ? 
1 1 1    2   42   -9 o  161.786   2.2143  7577.18  206.899   0.0000   0.0000  7577.18  206.899  ?   ?   161.786   2.2143      ?      ? 
1 1 1    2   43   -9 o  124.521   2.4676  4494.96  177.464   0.0000   0.0000  4494.96  177.464  ?   ?   124.521   2.4676      ?      ? 
1 1 1    2   44   -9 o   34.228   7.6936  367.304  148.389   0.0000   0.0000  367.304  148.389  ?   ?    34.228   7.6936      ?      ? 
1 1 1    2   45   -9 o  110.917   2.6210  3578.14  167.898   0.0000   0.0000  3578.14  167.898  ?   ?   110.917   2.6210      ?      ? 
1 1 1    2   46   -9 o  121.640   2.4663  4307.59  173.262   0.0000   0.0000  4307.59  173.262  ?   ?   121.640   2.4663      ?      ? 
1 1 1    2   47   -9 o   56.436   5.5642  992.571  179.390  867.748  233.821  1171.17  279.686   52.297   7.7415   60.575   7.9945 -8.278351 11.12850 
1 1 1    2   48   -9 o   35.410   7.3199  390.470  180.830  108.471  235.856  792.646  281.664   23.906   10.055   46.914   10.640 -23.00784 14.63978 
1 1 1    2   49   -9 o   99.355   3.1173  2909.46  178.876   0.0000   0.0000  2909.46  178.876  ?   ?    99.355   3.1173      ?      ? 
1 1 1    2   50   -9 o   60.239   5.1499  1114.63  179.168   0.0000   0.0000  1114.63  179.168  ?   ?    60.239   5.1499      ?      ? 
1 1 1    2   51   -9 o   50.022   7.0223  889.658  190.680  742.780  238.470  1150.05  317.516   44.929   9.4877   55.114   10.355 -10.18479 14.04454 
1 1 1    2    0  -10 o   60.680   1.6350  1059.73   54.994  1038.16   68.717  1098.16   91.718   59.858   1.9927   61.501   2.5927 -0.000000 0.000000 
1 1 1    2    1  -10 o   52.590   1.3981  789.849   42.187  723.626   55.885  877.583   64.325   50.056   1.9331   55.124   2.0205 -5.068089 2.796275 
1 1 1    2    2  -10 o  349.965   1.5459 35391.78  305.179 35464.23  391.798 35280.01  486.634  350.426   1.9359  349.504   2.4108 0.9210205 3.091879 
1 1 1    2    3  -10 o  136.220   1.2407  5362.96   91.876  5346.71  159.521  5371.02  112.389  136.064   2.0300  136.376   1.4269 -0.3127136 2.481309 
1 1 1    2    4  -10 o  371.917   1.9885 39905.68  375.133 40048.51  735.055 39855.37  436.216  372.349   3.4181  371.486   2.0332 0.8626709 3.977082 
1 1 1    2    5  -10 o   52.901   1.4077  811.377   42.769  843.778   58.219  773.391   63.037   54.053   1.8649   51.749   2.1092 2.304245 2.815421 
1 1 1    2    6  -10 o  232.647   1.6571 15649.39  204.000 15675.89  243.868 15587.64  372.306  232.982   1.8124  232.313   2.7749 0.6689148 3.314298 
1 1 1    2    7  -10 o  193.962   1.0235 10840.28  112.797 10731.89  146.551 10997.82  176.679  192.776   1.3163  195.148   1.5676 -2.372223 2.046949 
1 1 1    2    8  -10 o  200.250   1.0674 11571.11  120.678 11624.26  192.304 11536.58  154.997  200.628   1.6596  199.872   1.3427 0.7560883 2.134773 
1 1 1    2    9  -10 o  188.256   1.3262 10151.06  125.068 10403.31  251.057 10067.79  144.241  189.796   2.2903  186.716   1.3376 3.079376 2.652321 
1 1 1    2   10  -10 o  319.093   1.5301 29406.52  281.920 29352.25  403.062 29458.51  394.467  318.805   2.1891  319.382   2.1385 -0.5772095 3.060290 
1 1 1    2   11  -10 o  482.620   1.9597 67337.85  538.360 67674.42  704.970 66866.95  833.873  484.074   2.5216  481.167   3.0007 2.907257 3.919497 
1 1 1    2   12  -10 o  1202.86   5.1031 419080.09  3411.09 421556.19  4283.18 414786.31  5640.22  1207.86   6.1399  1197.85   8.1528 10.01489 10.20623 
1 1 1    2   13  -10 o  252.003   1.1957 18333.08  170.965 18305.55  221.860 18373.32  268.257  251.771   1.5258  252.234   1.8415 -0.4634705 2.391428 
1 1 1    2   14  -10 o  588.167   1.9905 99865.79  669.831 99584.06  888.039 100237.60  1020.23  587.210   2.6185  589.124   2.9985 -1.913757 3.980900 
1 1 1    2   15  -10 f  207.291   1.0762 12373.36  126.901 12208.45  165.169 12610.95  198.258  205.611   1.3909  208.971   1.6427 -3.360580 2.152463 
1 1 1    2   16  -10 o  141.076   1.3792  5747.30   97.738  5746.94  113.102  5748.35  194.224  141.070   1.3882  141.082   2.3837 -0.1272583E-01 2.758429 
1 1 1    2   17  -10 o  297.196   1.4886 25511.03  255.301 25435.85  368.349 25580.52  354.169  296.775   2.1491  297.618   2.0605 -0.8438110 2.977242 
1 1 1    2   18  -10 o   97.750   1.3143  2745.61   72.780  2829.19  115.497  2690.57   93.730   98.977   2.0205   96.523   1.6814 2.453941 2.628554 
1 1 1    2   19  -10 o  499.623   2.6944 72307.91  721.198 71574.65  1285.30 72644.86  871.288  497.737   4.4711  501.509   3.0081 -3.771667 5.388866 
1 1 1    2   20  -10 o  754.345   4.1461 165473.09  1666.33 161863.09  2990.19 167099.09  2006.82  748.207   6.9198  760.483   4.5691 -12.27643 8.292186 
1 1 1    2   21  -10 o  304.220   2.0789 26729.33  365.263   0.0000   0.0000 26729.33  365.263  ?   ?   304.220   2.0789      ?      ? 
1 1 1    2   22  -10 o  728.944   4.4493 153549.41  1873.14   0.0000   0.0000 153549.41  1873.14  ?   ?   728.944   4.4493      ?      ? 
1 1 1    2   23  -10 o  156.359   2.1975  7059.81  196.878  7038.87  262.286  7086.83  297.970  156.098   2.9093  156.621   3.2941 -0.5229492 4.394927 
1 1 1    2   24  -10 f  279.446   2.1415 22569.24  344.990 22711.31  474.621 22410.09  502.337  280.382   2.9310  278.509   3.1230 1.873657 4.282947 
1 1 1    2   25  -10 f  330.431   2.3706 31571.03  451.801 31987.36  625.433 31116.68  653.368  332.717   3.2548  328.146   3.4475 4.571960 4.741189 
1 1 1    2   26  -10 o  244.558   2.1169 17276.46  299.000 17276.46  299.000   0.0000   0.0000  244.558   2.1169  ?   ?       ?      ? 
1 1 1    2   27  -10 o   95.537   2.3298  2688.72  112.955  2746.71  132.170  2531.65  217.531   97.505   2.3470   93.569   4.0254 3.936691 4.659623 
1 1 1    2   28  -10 o  105.674   3.0161  3227.60  184.078  3227.60  184.078   0.0000   0.0000  105.674   3.0161  ?   ?       ?      ? 
1 1 1    2   29  -10 o  227.720   3.0196 14990.60  397.129 14990.60  397.129   0.0000   0.0000  227.720   3.0196  ?   ?       ?      ? 
1 1 1    2   30  -10 o   98.954   2.7163  2833.95  154.542  3198.48  221.837  2490.22  215.416  105.148   3.6530   92.761   4.0209 12.38712 5.432519 
1 1 1    2   31  -10 o   56.436   4.7653  944.816  150.830  837.860  235.721  1018.97  196.270   53.623   7.6114   59.250   5.7356 -5.627167 9.530507 
1 1 1    2   32  -10 o  293.346   2.3397 24818.39  395.422 25972.60  584.419 23843.85  537.007  299.604   3.3775  287.087   3.2388 12.51743 4.679418 
1 1 1    2   33  -10 o   57.546   4.7996  960.419  159.518  960.419  159.518   0.0000   0.0000   57.546   4.7996  ?   ?       ?      ? 
1 1 1    2   34  -10 o  173.938   2.0021  8754.46  201.033  8519.50  285.888  8984.28  282.745  171.623   2.8843  176.253   2.7776 -4.629608 4.004261 
1 1 1    2   35  -10 o  115.569   2.9024  3876.68  193.331  4005.03  267.921  3737.23  279.252  117.583   3.9453  113.555   4.2580 4.028366 5.804791 
1 1 1    2   36  -10 o  137.290   2.4975  5433.84  196.869  6320.24  288.138  4657.75  269.615  147.761   3.3764  126.818   3.6811 20.94292 4.995050 
1 1 1    2   37  -10 o  103.596   3.3334  3128.59  195.551  2373.94  270.383  3956.27  283.162   90.385   5.1796  116.807   4.1974 -26.42252 6.666837 
1 1 1    2   38  -10 o  143.351   3.4071  5952.35  282.076   0.0000   0.0000  5952.35  282.076  ?   ?   143.351   3.4071      ?      ? 
1 1 1    2   39  -10 o  148.650   3.6804  6407.32  315.969   0.0000   0.0000  6407.32  315.969  ?   ?   148.650   3.6804      ?      ? 
1 1 1    2   40  -10 o   72.091   5.7376  1518.68  238.889   0.0000   0.0000  1518.68  238.889  ?   ?    72.091   5.7376      ?      ? 
1 1 1    2   41  -10 o  237.039   2.2494 16292.68  307.802 16141.28  427.895 16455.03  443.097  235.912   3.1405  238.167   3.2213 -2.254944 4.498858 
1 1 1    2   42  -10 o  165.175   2.1392  7898.40  204.071   0.0000   0.0000  7898.40  204.071  ?   ?   165.175   2.1392      ?      ? 
1 1 1    2   43  -10 o  143.656   2.0649  6016.98  162.221  5924.97  277.248  6064.88  200.038  142.678   3.3645  144.633   2.3948 -1.954605 4.129764 
1 1 1    2   44  -10 o   61.557   4.4832  1129.29  155.908  1153.41  248.490  1113.64  200.222   61.881   6.9529   61.232   5.6617 0.6487999 8.966447 
1 1 1    2   45  -10 o   95.209   2.6379  2617.24  135.745  2779.56  241.600  2542.36  164.095   97.082   4.3090   93.336   3.0441 3.746544 5.275779 
1 1 1    2   46  -10 o  110.094   2.4168  3549.42  145.826  3591.15  249.544  3527.78  179.702  110.297   3.9174  109.892   2.8314 0.4049149 4.833533 
1 1 1    2   47  -10 o   15.270   7.2671 -182.0739  175.703   0.0000   0.0000 -182.0739  175.703  ?   ?    15.270   7.2671      ?      ? 
1 1 1    2   48  -10 o   20.258   6.3070 -18.0028  145.125  106.211  218.977 -115.2929  193.797   23.260   9.7305   17.256   8.0269 6.004625 12.61406 
1 1 1    2   49  -10 o   81.221   3.6583  2018.98  170.714  2001.11  253.705  2033.77  230.773   80.647   5.4470   81.796   4.8851 -1.148811 7.316667 
1 1 1    2   50  -10 o   90.754   3.5351  2453.10  185.290   0.0000   0.0000  2453.10  185.290  ?   ?    90.754   3.5351      ?      ? 
1 1 1    2   51  -10 o   54.858   4.8542  956.088  146.661  1108.46  254.094  879.966  179.597   57.161   7.6968   52.554   5.9171 4.606956 9.708379 
1 1 1    2    0  -11 o   97.100   1.7629  2726.67   98.682  2667.84  137.400  2789.34  141.820   96.018   2.4814   98.182   2.5047 -0.000000 0.000000 
1 1 1    2    1  -11 o  462.957   1.7679 61901.70  472.686 61860.88  671.508 61941.77  665.489  462.805   2.5123  463.108   2.4881 -0.3031616 3.535866 
1 1 1    2    2  -11 o  203.115   1.3723 12002.33  140.307 12095.09  162.859 11735.26  276.349  204.653   1.3779  201.577   2.3737 3.075897 2.744664 
1 1 1    2    3  -11 o  218.901   1.3830 13888.18  141.853 13923.67  159.469 13753.66  310.490  219.579   1.2575  218.223   2.4635 1.355820 2.765914 
1 1 1    2    4  -11 f  246.028   1.4576 17554.63  167.136 17356.29  368.355 17606.06  187.554  245.142   2.6017  246.914   1.3152 -1.771317 2.915273 
1 1 1    2    5  -11 o  1144.96   3.8508 378756.81  2523.61 379127.09  3834.78 378473.81  3351.65  1145.41   5.7969  1144.52   5.0705 0.8916016 7.701554 
1 1 1    2    6  -11 o  307.449   1.2538 27297.09  222.621 27141.72  313.781 27454.56  315.897  306.568   1.7722  308.330   1.7740 -1.761749 2.507519 
1 1 1    2    7  -11 o  285.533   1.3431 23574.15  216.018 23678.33  276.795 23411.83  345.494  286.343   1.6737  284.722   2.1010 1.620392 2.686211 
1 1 1    2    8  -11 o  341.220   1.2516 33668.08  243.835 33328.09  373.214 33921.28  322.080  339.714   1.9022  342.727   1.6272 -3.012817 2.503209 
1 1 1    2    9  -11 o  981.557   3.6516 278743.59  1963.47 279609.81  2421.76 277081.91  3354.20  983.857   4.2620  979.258   5.9307 4.598511 7.303288 
1 1 1    2   10  -11 o  398.613   1.6748 45949.56  376.871 46182.10  484.891 45594.75  598.951  399.893   2.0995  397.334   2.6101 2.558807 3.349669 
1 1 1    2   11  -11 o  733.927   2.9996 155505.41  1245.21 155167.09  1605.31 156016.41  1973.02  732.947   3.7923  734.908   4.6485 -1.961060 5.999166 
1 1 1    2   12  -11 o  332.579   1.4372 31960.18  271.194 32036.16  352.230 31849.58  424.986  333.067   1.8311  332.091   2.2158 0.9754028 2.874488 
1 1 1    2   13  -11 o  400.147   1.7072 46165.22  387.220 45847.08  500.800 46638.16  610.602  398.439   2.1763  401.855   2.6309 -3.415771 3.414363 
1 1 1    2   14  -11 o  468.231   1.8313 63231.16  468.875 63050.36  576.320 63585.09  806.361  467.250   2.1356  469.211   2.9756 -1.960510 3.662681 
1 1 1    2   15  -11 o  477.110   1.9594 65805.38  529.457 65424.79  833.800 66062.52  685.365  475.947   3.0333  478.274   2.4812 -2.326813 3.918844 
1 1 1    2   16  -11 o  202.303   1.3436 11756.50  138.299 11951.86  270.572 11687.42  160.906  203.432   2.3029  201.175   1.3849 2.256622 2.687257 
1 1 1    2   17  -11 o  466.525   2.6616 62788.40  677.572 63113.89  1169.98 62624.15  831.139  467.411   4.3340  465.639   3.0906 1.771881 5.323119 
1 1 1    2   18  -11 o  343.010   1.7002 33979.02  336.803 33854.34  473.517 34106.69  479.155  342.374   2.3947  343.647   2.4142 -1.273315 3.400447 
1 1 1    2   19  -11 o  306.664   1.9084 27189.62  317.898 27081.06  552.707 27243.29  388.611  306.196   3.1254  307.132   2.1908 -0.9356689 3.816802 
1 1 1    2   20  -11 o  562.936   3.5155 91544.72  1142.95   0.0000   0.0000 91544.72  1142.95  ?   ?   562.936   3.5155      ?      ? 
1 1 1    2   21  -11 o  134.814   2.2983  5249.27  178.796  5225.62  247.515  5275.08  258.558  134.498   3.1864  135.131   3.3130 -0.6329803 4.596623 
1 1 1    2   22  -11 o  197.334   1.3222 11247.09  150.677 11285.82  211.895 11207.48  214.305  197.678   1.8560  196.990   1.8837 0.6877594 2.644401 
1 1 1    2   23  -11 o  135.217   1.3024  5266.92   99.914  5208.50  129.336  5353.38  157.345  134.292   1.6676  136.143   2.0011 -1.850937 2.604856 
1 1 1    2   24  -11 o   86.579   2.1989  2163.50  109.895  2252.99  158.359  2080.36  152.630   88.305   3.1051   84.854   3.1144 3.450638 4.397878 
1 1 1    2   25  -11 o  403.505   2.7614 47040.84  643.519   0.0000   0.0000 47040.84  643.519  ?   ?   403.505   2.7614      ?      ? 
1 1 1    2   26  -11 o  419.665   2.6517 51197.63  587.918 50210.99  1071.50 51622.62  703.229  416.660   4.4527  422.669   2.8808 -6.008453 5.303344 
1 1 1    2   27  -11 f  145.125   1.8629  6083.85  156.141   0.0000   0.0000  6083.85  156.141  ?   ?   145.125   1.8629      ?      ? 
1 1 1    2   28  -11 o  137.559   3.2847  5470.78  260.961  5470.78  260.961   0.0000   0.0000  137.559   3.2847  ?   ?       ?      ? 
1 1 1    2   29  -11 f  122.805   3.4855  4361.75  247.210  4361.75  247.210   0.0000   0.0000  122.805   3.4855  ?   ?       ?      ? 
1 1 1    2   30  -11 f   44.765   8.5371  603.893  212.660   0.0000   0.0000  603.893  212.660  ?   ?    44.765   8.5371      ?      ? 
1 1 1    2   31  -11 o  208.008   3.0923 12514.44  371.496   0.0000   0.0000 12514.44  371.496  ?   ?   208.008   3.0923      ?      ? 
1 1 1    2   32  -11 o  101.323   2.9734  2961.73  173.622  3225.94  254.786  2732.68  237.231  105.526   4.1805   97.120   4.2294 8.405853 5.946808 
1 1 1    2   33  -11 f  101.533   3.2053  2984.51  187.802  2825.14  260.530  3156.89  270.960   98.712   4.5698  104.354   4.4958 -5.641632 6.410624 
1 1 1    2   34  -11 o   99.369   3.2455  2949.20  180.593  2253.98  265.900  3544.49  246.049   88.110   5.2252  110.628   3.8510 -22.51714 6.491008 
1 1 1    2   35  -11 f  114.311   2.8839  3727.68  188.613  3374.49  246.958  4222.08  292.188  107.925   3.9620  120.698   4.1916 -12.77229 5.767741 
1 1 1    2   36  -11 o  158.446   2.3294  7282.21  212.694  7585.67  295.407  6955.56  306.487  161.896   3.1594  154.996   3.4238 6.899765 4.658739 
1 1 1    2   37  -11 o  122.212   2.8131  4317.68  197.379  4222.24  263.810  4439.05  297.487  120.705   3.7843  123.719   4.1634 -3.014313 5.626202 
1 1 1    2   38  -11 o  229.542   1.9602 15246.05  240.700 15253.82  431.171 15242.53  290.113  229.490   3.2531  229.593   2.1879 -0.1021729 3.920406 
1 1 1    2   39  -11 o  139.296   2.6640  5646.13  212.936  5468.69  316.905  5792.19  287.510  137.254   3.9978  141.338   3.5222 -4.084000 5.328026 
1 1 1    2   40  -11 o  151.166   2.3930  6613.68  208.921   0.0000   0.0000  6613.68  208.921  ?   ?   151.166   2.3930      ?      ? 
1 1 1    2   41  -11 o  165.395   2.2771  7931.44  217.309  8108.96  315.494  7771.19  299.752  167.142   3.2683  163.649   3.1715 3.493530 4.554125 
1 1 1    2   42  -11 o  121.438   2.6079  4276.21  182.910   0.0000   0.0000  4276.21  182.910  ?   ?   121.438   2.6079      ?      ? 
1 1 1    2   43  -11 o   95.772   2.7785  2655.00  146.229  2761.94  250.649  2599.82  180.045   97.054   4.4716   94.489   3.2992 2.564499 5.557028 
1 1 1    2   44  -11 f   94.480   3.1998  2659.19  170.185  2485.13  267.525  2777.51  220.571   91.622   5.0557   97.338   3.9235 -5.716202 6.399526 
1 1 1    2   45  -11 o  106.625   2.4911  3355.16  146.264  3263.77  245.329  3405.55  182.183  105.234   4.0365  108.016   2.9204 -2.782082 4.982175 
1 1 1    2   46  -11 o   84.393   3.1924  2067.58  141.654  2257.53  266.112  1992.47  167.331   86.516   5.3258   82.269   3.5217 4.246498 6.384851 
1 1 1    2   47  -11 o  113.588   2.6187  3816.64  171.076  3858.56  254.338  3782.00  231.190  114.035   3.8618  113.141   3.5380 0.8932495 5.237484 
1 1 1    2   48  -11 o   26.767   9.1384  240.502  169.566   0.0000   0.0000  240.502  169.566  ?   ?    26.767   9.1384      ?      ? 
1 1 1    2   49  -11 o   71.119   3.9201  1575.08  158.632  1484.18  241.096  1644.46  210.653   68.834   6.0646   73.404   4.9689 -4.570007 7.840218 
1 1 1    2   50  -11 o   42.578   6.1492  591.867  131.188  739.532  263.722  543.311  151.227   43.930   10.531   41.226   6.3515 2.703949 12.29835 
1 1 1    2   51  -11 o   35.921   7.2000  529.679  157.462  453.671  262.394  572.454  196.845   32.404   11.353   39.438   8.8585 -7.034210 14.39997 
1 1 1    2    0  -12 o  845.024   3.8064 206297.20  1857.20 206881.00  2605.07 205693.80  2648.41  846.243   5.3306  843.805   5.4350 -0.000000 0.000000 
1 1 1    2    1  -12 o  158.141   0.8790  7221.79   80.281  7173.79  113.149  7270.44  113.924  157.612   1.2430  158.670   1.2432 -1.058121 1.758008 
1 1 1    2    2  -12 o  1000.85   3.7005 289410.31  2138.93 288495.81  3011.47 290341.31  3038.51  999.255   5.2182  1002.44   5.2483 -3.188110 7.400908 
1 1 1    2    3  -12 o  194.630   1.0605 10932.62  116.526 10907.44  149.667 10971.36  185.681  194.346   1.3334  194.913   1.6495 -0.5668640 2.121008 
1 1 1    2    4  -12 o  834.632   2.8706 201036.80  1366.87 200039.91  1795.99 202409.09  2107.17  832.194   3.7368  837.069   4.3587 -4.874817 5.741186 
1 1 1    2    5  -12 o   10.802   4.7376 -14.9639   56.663 -14.9639   56.663   0.0000   0.0000   10.802   4.7376  ?   ?       ?      ? 
1 1 1    2    6  -12 o  632.938   2.3408 115690.00  855.403 116329.50  1227.35 115085.90  1192.83  634.637   3.3486  631.239   3.2719 3.398560 4.681687 
1 1 1    2    7  -12 o  232.875   1.0504 15656.51  141.232 15843.59  202.488 15479.29  197.085  234.229   1.4968  231.521   1.4739 2.708389 2.100714 
1 1 1    2    8  -12 o  590.021   2.0555 100489.40  691.966 100201.30  909.924 100884.50  1065.58  589.025   2.6748  591.018   3.1218 -1.992249 4.110940 
1 1 1    2    9  -12 o  162.130   1.0831  7570.57   99.256  7493.07  127.546  7689.55  158.047  161.082   1.3710  163.179   1.6770 -2.097000 2.166110 
1 1 1    2   10  -12 o  1261.85   4.2009 460198.69  3031.09 459066.41  4621.16 461053.81  4015.56  1260.44   6.3481  1263.27   5.5039 -2.825073 8.401828 
1 1 1    2   11  -12 o  657.024   3.4722 125193.30  1112.08 123794.10  2302.78 125618.90  1269.99  654.552   6.0915  659.495   3.3343 -4.942810 6.944317 
1 1 1    2   12  -12 o  795.650   3.1482 182948.41  1422.39 183308.41  1850.79 182429.09  2223.13  796.630   4.0227  794.670   4.8439 1.959900 6.296435 
1 1 1    2   13  -12 o  366.786   1.5657 38823.29  326.849 38683.02  426.985 39021.80  507.957  365.989   2.0200  367.583   2.3927 -1.594025 3.131378 
1 1 1    2   14  -12 o  526.045   2.1404 79897.64  635.532 80043.89  1012.74 79802.63  816.264  526.433   3.3310  525.657   2.6887 0.7756958 4.280704 
1 1 1    2   15  -12 o   57.399   2.0043  953.894   64.992  963.063   83.834  940.084  102.890   57.746   2.5137   57.051   3.1227 0.6949921 4.008698 
1 1 1    2   16  -12 o  533.401   2.4716 82214.70  761.045 80785.31  1086.75 83590.30  1066.11  528.847   3.5581  537.955   3.4314 -9.107971 4.943105 
1 1 1    2   17  -12 o   95.835   2.3593  2652.54  130.582   0.0000   0.0000  2652.54  130.582  ?   ?    95.835   2.3593      ?      ? 
1 1 1    2   18  -12 o  501.860   2.2912 72741.13  664.087   0.0000   0.0000 72741.13  664.087  ?   ?   501.860   2.2912      ?      ? 
1 1 1    2   19  -12 o  426.456   2.2775 52525.67  560.943   0.0000   0.0000 52525.67  560.943  ?   ?   426.456   2.2775      ?      ? 
1 1 1    2   20  -12 o  527.317   1.9789 80287.80  602.276 81139.72  869.299 79501.37  835.217  530.004   2.8399  524.630   2.7565 5.373901 3.957715 
1 1 1    2   21  -12 o  554.532   2.5248 88868.94  806.901 88462.25  1178.76 89227.55  1106.89  553.329   3.6886  555.736   3.4487 -2.407288 5.049628 
1 1 1    2   22  -12 o  467.545   2.6698 62923.68  688.647 62353.62  853.639 63986.05  1165.35  464.569   3.1815  470.521   4.2884 -5.951294 5.339697 
1 1 1    2   23  -12 o  253.499   2.1341 18561.68  312.453 18561.68  312.453   0.0000   0.0000  253.499   2.1341  ?   ?       ?      ? 
1 1 1    2   24  -12 o  391.314   3.0355 44173.07  684.325 42961.71  930.412 45600.66  1010.05  385.495   4.1790  397.133   4.4037 -11.63843 6.070982 
1 1 1    2   25  -12 o  188.050   1.8282 10214.42  198.557   0.0000   0.0000 10214.42  198.557  ?   ?   188.050   1.8282      ?      ? 
1 1 1    2   26  -12 o  183.767   1.5256  9771.95  155.525  9698.19  258.390  9813.85  194.753  183.211   2.4420  184.322   1.8295 -1.110840 3.051243 
1 1 1    2   27  -12 o  180.110   1.6584  9372.84  172.477  9383.48  246.373  9362.62  241.536  180.209   2.3672  180.011   2.3233 0.1985016 3.316788 
1 1 1    2   28  -12 o  168.628   2.1697  8229.20  211.084  8489.00  295.047  7956.80  302.115  171.362   2.9812  165.893   3.1532 5.469254 4.339412 
1 1 1    2   29  -12 o  251.763   2.0060 18314.07  291.675   0.0000   0.0000 18314.07  291.675  ?   ?   251.763   2.0060      ?      ? 
1 1 1    2   30  -12 o   83.038   4.8379  1998.66  232.016   0.0000   0.0000  1998.66  232.016  ?   ?    83.038   4.8379      ?      ? 
1 1 1    2   31  -12 o  181.111   3.0206  9487.40  315.951   0.0000   0.0000  9487.40  315.951  ?   ?   181.111   3.0206      ?      ? 
1 1 1    2   32  -12 o   38.694   7.1650  419.694  171.992  718.253  264.517  201.020  226.380   48.605   9.7620   28.782   10.491 19.82247 14.32997 
1 1 1    2   33  -12 o  265.280   2.2179 20360.71  339.809 20482.23  481.645 20240.28  479.488  266.069   3.1344  264.492   3.1389 1.576904 4.435879 
1 1 1    2   34  -12 o  118.857   2.1775  4075.56  147.949  4007.33  194.984  4168.14  227.142  117.703   2.8683  120.012   3.2771 -2.308098 4.355047 
1 1 1    2   35  -12 f  232.824   2.2352 15670.32  300.561   0.0000   0.0000 15670.32  300.561  ?   ?   232.824   2.2352      ?      ? 
1 1 1    2   36  -12 o  249.437   2.2854 17989.09  329.236 17989.09  329.236   0.0000   0.0000  249.437   2.2854  ?   ?       ?      ? 
1 1 1    2   37  -12 o   86.353   3.8276  2188.04  189.155  1990.54  278.612  2356.91  257.629   82.654   5.8365   90.051   4.9536 -7.397881 7.655237 
1 1 1    2   38  -12 o  140.136   2.1520  5626.77  168.656  5923.69  278.610  5455.04  211.889  142.978   3.3740  137.294   2.6722 5.684143 4.304019 
1 1 1    2   39  -12 o   72.431   2.9589  1516.43  123.364  1622.09  183.867  1429.93  166.368   74.705   4.2616   70.157   4.1059 4.548027 5.917738 
1 1 1    2   40  -12 o  100.597   2.6082  2919.99  150.084  2805.93  197.361  3076.40  231.115   98.317   3.4757  102.878   3.8897 -4.561699 5.216404 
1 1 1    2   41  -12 o   62.614   5.1156  1148.08  184.991  1148.08  184.991   0.0000   0.0000   62.614   5.1156  ?   ?       ?      ? 
1 1 1    2   42  -12 o   56.097   4.7833  911.429  147.176  1018.76  256.881  858.979  179.571   58.257   7.6348   53.936   5.7646 4.321083 9.566649 
1 1 1    2   43  -12 o   61.459   5.2632  1133.06  184.510  909.983  249.967  1400.11  273.491   54.684   7.9148   68.234   6.9400 -13.55024 10.52647 
1 1 1    2   44  -12 o   14.061   6.7646 -221.0975  161.501   0.0000   0.0000 -221.0975  161.501  ?   ?    14.061   6.7646      ?      ? 
1 1 1    2   45  -12 o  106.281   3.0776  3304.93  188.910   0.0000   0.0000  3304.93  188.910  ?   ?   106.281   3.0776      ?      ? 
1 1 1    2   46  -12 o   74.442   3.3617  1669.93  121.556  1643.46  250.689  1678.07  138.988   73.299   5.9218   75.585   3.1839 -2.286736 6.723451 
1 1 1    2   47  -12 o   52.878   4.4336  777.442  122.519  1102.42  243.376  667.127  141.796   58.927   7.1512   46.830   5.2427 12.09699 8.867151 
1 1 1    2   48  -12 o  109.227   3.0607  3576.25  192.788  3449.26  263.980  3721.39  282.219  107.217   4.2631  111.237   4.3929 -4.019836 6.121397 
1 1 1    2   49  -12 o   67.443   3.9356  1488.46  130.133  1246.57  250.714  1577.66  152.248   62.123   6.9878   72.764   3.6228 -10.64130 7.871131 
1 1 1    2   50  -12 o   73.422   4.1995  1683.67  174.008  1847.13  281.789  1582.92  221.227   75.659   6.4488   71.184   5.3810 4.474510 8.398959 
1 1 1    2    0  -13 o  345.424   2.0317 34409.38  386.505 34650.08  654.734 34280.64  478.841  346.335   3.2739  344.512   2.4069 -0.000000 0.000000 
1 1 1    2    1  -13 o  1356.17   4.5561 531882.81  3540.44 528211.19  5343.60 534755.62  4726.83  1351.93   6.8437  1360.40   6.0161 -8.471191 9.112111 
1 1 1    2    2  -13 o  333.007   1.1656 32024.46  224.175 32068.12  317.370 31980.97  316.694  333.234   1.6490  332.781   1.6478 0.4530945 2.331198 
1 1 1    2    3  -13 o  345.249   1.2974 34412.21  255.955 34351.00  338.116 34494.36  391.720  344.891   1.6975  345.607   1.9625 -0.7162170 2.594752 
1 1 1    2    4  -13 o  215.219   1.0152 13376.23  126.181 13436.84  178.361 13315.51  178.533  215.707   1.4317  214.731   1.4396 0.9761505 2.030317 
1 1 1    2    5  -13 o  607.980   2.3641 106620.20  782.680 106340.20  958.016 107182.30  1357.25  606.799   2.7336  609.161   3.8578 -2.361633 4.728174 
1 1 1    2    6  -13 o   76.171   1.2516  1671.34   54.585  1644.65   72.308  1706.70   83.227   75.466   1.6590   76.876   1.8745 -1.409966 2.503242 
1 1 1    2    7  -13 o   90.434   1.2220  2355.84   60.002  2344.48   73.192  2379.11  104.778   90.103   1.4065   90.764   1.9988 -0.6614151 2.444054 
1 1 1    2    8  -13 o  248.626   1.3076 17851.39  187.758 17904.80  265.500 17797.95  265.558  248.998   1.8462  248.254   1.8522 0.7441101 2.615156 
1 1 1    2    9  -13 o  1017.79   3.8179 299131.59  2139.84 298800.91  2652.04 299748.50  3622.32  1017.05   4.5149  1018.52   6.1579 -1.469543 7.635730 
1 1 1    2   10  -13 o  402.543   2.4791 46812.27  535.783 46829.56  647.756 46774.80  953.347  402.675   2.7853  402.410   4.1020 0.2650452 4.958262 
1 1 1    2   11  -13 o  126.544   1.2415  4624.30   90.731  4624.30   90.731   0.0000   0.0000  126.544   1.2415  ?   ?       ?      ? 
1 1 1    2   12  -13 o  326.198   1.4481 30712.50  267.180 30811.40  423.366 30647.04  344.431  326.632   2.2443  325.765   1.8307 0.8675232 2.896220 
1 1 1    2   13  -13 o  231.704   1.1896 15474.81  156.822 15672.50  244.497 15336.63  204.408  232.958   1.8172  230.451   1.5358 2.507690 2.379287 
1 1 1    2   14  -13 o  290.240   1.7825 24283.03  280.185 24461.35  491.376 24197.12  341.064  291.021   2.9235  289.458   2.0402 1.563232 3.564989 
1 1 1    2   15  -13 o  512.048   2.8410 75803.44  795.254 75934.99  978.367 75547.27  1365.27  512.733   3.3039  511.363   4.6228 1.369690 5.682062 
1 1 1    2   16  -13 o  259.474   2.0704 19442.11  309.309 19496.94  455.994 19395.38  420.962  259.811   3.0389  259.137   2.8127 0.6734009 4.140820 
1 1 1    2   17  -13 f  393.148   2.3358 44706.02  501.255 44827.71  615.874 44467.23  862.721  393.961   2.7068  392.335   3.8074 1.625153 4.671501 
1 1 1    2   18  -13 o  551.284   2.5530 87782.33  812.779 86717.13  1140.12 88883.09  1159.00  547.885   3.6031  554.684   3.6179 -6.799255 5.106001 
1 1 1    2   19  -13 o  164.828   2.1877  7851.81  207.319  7807.32  307.690  7888.80  280.569  164.397   3.2407  165.258   2.9396 -0.8609009 4.375303 
1 1 1    2   20  -13 o  186.735   1.7489 10047.26  178.822  9994.85  219.994 10149.32  307.004  186.026   2.0476  187.444   2.8359 -1.417480 3.497862 
1 1 1    2   21  -13 o  154.948   1.8085  6934.19  161.839   0.0000   0.0000  6934.19  161.839  ?   ?   154.948   1.8085      ?      ? 
1 1 1    2   22  -13 o  123.853   2.6747  4431.37  191.322  4431.37  191.322   0.0000   0.0000  123.853   2.6747  ?   ?       ?      ? 
1 1 1    2   23  -13 o  302.366   1.5431 26404.95  269.277 26514.48  388.549 26303.73  373.524  302.967   2.2206  301.764   2.1432 1.203278 3.086150 
1 1 1    2   24  -13 o  261.414   1.9710 19739.65  297.585 19739.65  297.585   0.0000   0.0000  261.414   1.9710  ?   ?       ?      ? 
1 1 1    2   25  -13 o   92.021   2.4437  2446.53  129.874  2446.53  129.874   0.0000   0.0000   92.021   2.4437  ?   ?       ?      ? 
1 1 1    2   26  -13 o  402.622   2.8442 46891.54  661.217 47064.71  926.603 46711.88  943.838  403.387   3.9773  401.857   4.0667 1.529510 5.688300 
1 1 1    2   27  -13 o  125.716   1.7046  4566.28  123.754  4636.21  176.280  4498.32  173.777  126.665   2.4097  124.767   2.4116 1.897934 3.409182 
1 1 1    2   28  -13 o   86.304   2.1461  2150.05  102.749  2166.38  171.343  2140.88  128.396   86.545   3.4280   86.064   2.5831 0.4811554 4.292276 
1 1 1    2   29  -13 o  235.738   1.8378 16061.46  224.392 16072.00  424.971 16057.39  264.229  235.737   3.1214  235.740   1.9407 -0.2243042E-02 3.675505 
1 1 1    2   30  -13 o   66.050   5.0581  1351.58  180.906  923.063  276.403  1672.71  239.274   56.187   8.5177   75.913   5.4575 -19.72672 10.11613 
1 1 1    2   31  -13 o  225.986   2.4167 14774.55  315.371 14490.71  441.122 15071.31  451.047  223.768   3.4133  228.205   3.4222 -4.437515 4.833473 
1 1 1    2   32  -13 o  293.092   2.4053 24834.21  407.149 24834.21  407.149   0.0000   0.0000  293.092   2.4053  ?   ?       ?      ? 
1 1 1    2   33  -13 o  137.751   2.0949  5508.65  163.448  5592.07  212.263  5387.13  256.184  139.061   2.6429  136.441   3.2510 2.620544 4.189776 
1 1 1    2   34  -13 o  228.145   1.9422 15006.25  244.932 14889.74  304.436 15220.08  412.419  226.945   2.3227  229.346   3.1136 -2.400650 3.884499 
1 1 1    2   35  -13 o  177.637   1.9703  9172.08  191.846  8987.64  326.052  9269.74  237.263  176.214   3.2038  179.060   2.2943 -2.845154 3.940537 
1 1 1    2   36  -13 o  233.070   2.3381 15719.30  313.395 15619.89  423.532 15839.59  465.906  232.284   3.1571  233.855   3.4496 -1.571335 4.676172 
1 1 1    2   37  -13 o  102.165   3.1718  3031.70  187.043  3167.09  265.727  2898.75  263.327  104.437   4.4055   99.894   4.5643 4.542557 6.343585 
1 1 1    2   38  -13 o  123.745   2.9456  4466.79  208.626  4289.44  313.299  4608.08  279.643  121.476   4.4657  126.014   3.8424 -4.538750 5.891172 
1 1 1    2   39  -13 o  145.460   2.5501  6107.14  212.889  6436.36  322.785  5853.68  283.221  148.880   3.7540  142.041   3.4524 6.838150 5.100173 
1 1 1    2   40  -13 o   95.655   2.8275  2624.89  148.908  2786.98  255.482  2541.50  183.254   97.757   4.5251   93.554   3.3916 4.202957 5.655064 
1 1 1    2   41  -13 o   42.060   7.3212  551.167  183.829  816.709  271.707  327.006  249.640   51.077   9.5621   33.042   11.089 18.03462 14.64243 
1 1 1    2   42  -13 f  113.791   2.5104  3793.37  154.974  3829.61  189.690  3720.65  268.747  114.802   2.8609  112.780   4.1260 2.021919 5.020830 
1 1 1    2   43  -13 o   88.158   3.1146  2278.07  147.037  2309.06  263.203  2264.02  177.280   88.289   5.1618   88.028   3.4870 0.2613449 6.229220 
1 1 1    2   44  -13 o   73.444   4.2574  1629.81  180.205  1582.06  260.810  1673.44  249.279   72.292   6.2467   74.595   5.7862 -2.302818 8.514717 
1 1 1    2   45  -13 o   50.323   5.7637  768.596  167.515   0.0000   0.0000  768.596  167.515  ?   ?    50.323   5.7637      ?      ? 
1 1 1    2   46  -13 o   70.474   3.8913  1505.64  149.597  1535.40  257.962  1490.56  183.628   70.391   6.3453   70.557   4.5063 -0.1654282 7.782609 
1 1 1    2   47  -13 o   11.622   4.2010 -434.7286  111.322 -674.8765  247.394 -373.7574  124.656   13.632   6.8647   9.6126   4.8447 4.019504 8.402061 
1 1 1    2   48  -13 o   25.916   7.7779  133.166  198.482   32.915  252.060  296.774  322.005   22.267   9.8693   29.565   12.024 -7.298006 15.55588 
1 1 1    2   49  -13 o   97.417   2.9138  2800.56  163.940   0.0000   0.0000  2800.56  163.940  ?   ?    97.417   2.9138      ?      ? 
1 1 1    2   50  -13 o   55.035   4.7668  934.967  151.515   0.0000   0.0000  934.967  151.515  ?   ?    55.035   4.7668      ?      ? 
1 1 1    2    0  -14 o  488.358   2.2611 68891.44  637.602 69523.00  898.016 68249.39  905.440  490.616   3.1695  486.099   3.2255 -0.000000 0.000000 
1 1 1    2    1  -14 o   35.651   2.6778  368.969   54.800  324.915   78.015  411.875   76.991   33.539   4.0276   37.763   3.5302 -4.223511 5.355682 
1 1 1    2    2  -14 o  104.169   1.4394  3132.05   66.898  3136.35  156.644  3131.09   73.984  104.211   2.6027  104.127   1.2302 0.8315277E-01 2.878770 
1 1 1    2    3  -14 o   86.049   1.3573  2126.74   63.234  2105.46   76.832  2171.40  111.321   85.386   1.5580   86.711   2.2229 -1.325226 2.714525 
1 1 1    2    4  -14 o  229.395   1.1656 15187.65  151.871 15244.76  237.590 15148.19  197.484  229.758   1.7905  229.031   1.4930 0.7270660 2.331271 
1 1 1    2    5  -14 f   88.304   1.3585  2255.14   66.611  2239.79  110.450  2263.92   83.506   88.066   2.1716   88.541   1.6330 -0.4744186 2.717055 
1 1 1    2    6  -14 o  720.146   2.4567 149685.41  1013.58 148979.70  1348.93 150600.41  1536.07  718.207   3.2520  722.085   3.6833 -3.878662 4.913487 
1 1 1    2    7  -14 o  329.318   1.6226 31325.69  308.203 31208.40  447.134 31431.87  425.408  328.729   2.3551  329.906   2.2327 -1.176331 3.245235 
1 1 1    2    8  -14 o  1035.96   3.4812 310070.81  2065.21 310289.41  2748.27 309787.31  3130.14  1036.41   4.5914  1035.52   5.2339 0.8928223 6.962333 
1 1 1    2    9  -14 o  481.284   2.2169 66887.52  616.049 67436.42  883.158 66367.32  859.761  483.207   3.1646  479.362   3.1055 3.844025 4.433820 
1 1 1    2   10  -14 o  528.354   2.9560 80343.08  851.046 81524.39  1477.13 79756.10  1041.23  531.223   4.8146  525.484   3.4309 5.739807 5.911914 
1 1 1    2   11  -14 o  138.324   1.2737  5531.10  101.648  5693.73  141.949  5359.93  145.626  140.413   1.7504  136.235   1.8508 4.178619 2.547441 
1 1 1    2   12  -14 o  375.235   2.1794 40706.31  440.271 40558.92  778.813 40775.53  533.740  374.722   3.5986  375.747   2.4595 -1.025116 4.358828 
1 1 1    2   13  -14 o  313.743   2.0014 28239.66  332.701 28907.75  609.874 27956.61  396.973  316.357   3.3379  311.130   2.2092 5.227112 4.002789 
1 1 1    2   14  -14 o  695.959   3.8611 139151.00  1428.38 142048.50  2601.53 137900.59  1709.03  701.023   6.4256  690.896   4.2830 10.12677 7.722202 
1 1 1    2   15  -14 o  149.558   1.3734  6461.92  118.588  6590.75  166.726  6330.00  168.710  151.067   1.9109  148.048   1.9731 3.018921 2.746795 
1 1 1    2   16  -14 o  200.610   1.8407 11622.57  213.269 11622.57  213.269   0.0000   0.0000  200.610   1.8407  ?   ?       ?      ? 
1 1 1    2   17  -14 o  447.955   2.8425 58006.23  735.013 56540.99  1047.35 59428.15  1031.76  442.373   4.0994  453.536   3.9389 -11.16309 5.685080 
1 1 1    2   18  -14 o  373.448   2.4872 40291.22  536.436 40309.42  755.391 40272.70  761.921  373.534   3.5015  373.362   3.5334 0.1716919 4.974493 
1 1 1    2   19  -14 o  297.303   1.8684 25681.40  301.771 25087.54  521.914 25979.64  369.865  294.691   3.0665  299.915   2.1353 -5.223663 3.736722 
1 1 1    2   20  -14 o  170.698   1.6349  8491.77  149.793  8210.43  264.406  8624.75  181.778  168.589   2.7155  172.807   1.8214 -4.217972 3.269783 
1 1 1    2   21  -14 o  236.836   2.0673 16202.96  282.734 16072.44  396.052 16338.61  403.751  235.865   2.9074  237.808   2.9397 -1.943771 4.134579 
1 1 1    2   22  -14 o  160.960   1.5601  7455.90  136.852  7568.20  237.503  7400.08  167.443  161.856   2.5407  160.065   1.8113 1.791550 3.120245 
1 1 1    2   23  -14 o  497.978   2.1276 71580.30  593.796 71980.29  965.454 71336.94  753.076  499.055   3.3496  496.900   2.6241 2.155518 4.255126 
1 1 1    2   24  -14 o  247.505   1.3028 17626.36  170.917 17867.83  312.345 17523.15  204.203  248.697   2.1746  246.314   1.4354 2.382172 2.605643 
1 1 1    2   25  -14 o  259.874   1.3337 19515.62  197.475 19468.16  305.147 19549.81  259.029  259.594   2.0353  260.153   1.7240 -0.5590515 2.667320 
1 1 1    2   26  -14 o  102.654   1.8107  3062.77  104.824  2962.45  165.928  3129.40  135.226  101.239   2.8378  104.070   2.2498 -2.831573 3.621473 
1 1 1    2   27  -14 o  237.960   2.1309 16361.56  292.861 16361.56  292.861   0.0000   0.0000  237.960   2.1309  ?   ?       ?      ? 
1 1 1    2   28  -14 o  159.937   2.2931  7392.61  211.814  7392.61  211.814   0.0000   0.0000  159.937   2.2931  ?   ?       ?      ? 
1 1 1    2   29  -14 o  112.342   2.7315  3776.81  148.602  3427.40  303.566  3886.92  170.417  108.730   4.8341  115.954   2.5447 -7.224861 5.463015 
1 1 1    2   30  -14 o  254.861   1.9376 18668.21  272.679 18398.47  337.967 19171.28  461.546  252.290   2.3195  257.433   3.1043 -5.143768 3.875136 
1 1 1    2   31  -14 o  127.664   2.6987  4727.51  198.639  4484.14  283.850  4961.08  278.074  124.426   3.9500  130.902   3.6782 -6.475853 5.397314 
1 1 1    2   32  -14 o  114.953   2.5880  3866.26  160.575  3711.20  279.847  3942.37  196.062  113.160   4.2819  116.745   2.9078 -3.584656 5.175953 
1 1 1    2   33  -14 o   80.571   2.8169  1880.01  130.840  1729.03  182.745  2038.80  187.415   77.246   4.0962   83.897   3.8679 -6.650429 5.633796 
1 1 1    2   34  -14 o  188.539   1.6522 10277.05  179.763 10283.46  259.518 10271.13  249.240  188.591   2.3827  188.487   2.2896 0.1041412 3.304404 
1 1 1    2   35  -14 o  177.868   2.3934  9154.85  245.706  8996.79  340.289  9327.02  355.148  176.271   3.3426  179.465   3.4265 -3.193604 4.786788 
1 1 1    2   36  -14 o   35.907   8.0829  382.536  190.865  297.828  288.226  448.693  254.718   33.506   11.884   38.308   10.959 -4.801895 16.16578 
1 1 1    2   37  -14 o  229.269   1.9868 15292.91  251.658 15483.81  314.224 14951.43  420.263  231.359   2.3516  227.179   3.2031 4.179764 3.973639 
1 1 1    2   38  -14 o  119.694   2.1183  4149.18  144.357  4160.42  223.927  4141.20  188.833  119.800   3.2364  119.588   2.7340 0.2112885 4.236680 
1 1 1    2   39  -14 o  105.728   3.2462  3239.32  192.315  3335.85  314.459  3181.64  243.072  106.865   5.0950  104.590   4.0240 2.274918 6.492396 
1 1 1    2   40  -14 o  113.187   2.4781  3677.66  150.997  3853.88  270.218  3597.65  182.077  115.002   4.0684  111.372   2.8307 3.629425 4.956287 
1 1 1    2   41  -14 o   77.884   2.7882  1770.55  125.374  1777.24  175.278  1763.54  179.406   78.046   3.8886   77.722   3.9968 0.3239822 5.576309 
1 1 1    2   42  -14 o  108.780   2.7349  3494.35  153.244  3386.96  289.856  3536.01  180.539  107.286   4.6779  110.273   2.8348 -2.987267 5.469813 
1 1 1    2   43  -14 o   62.272   5.5554  1202.48  198.490  1297.52  274.189  1097.84  287.714   65.149   7.2871   59.395   8.3873 5.754143 11.11073 
1 1 1    2   44  -14 o   19.525   6.4003 -200.4276  176.279  -1.6336  258.296 -373.7421  241.176   22.778   10.048   16.271   7.9302 6.506937 12.80063 
1 1 1    2   45  -14 o   51.665   6.3173  854.120  180.569  633.152  235.346  1170.36  281.546   42.888   9.7252   60.441   8.0655 -17.55242 12.63461 
1 1 1    2   46  -14 o   55.565   6.5483  1082.55  195.543  1380.28  268.574  746.676  285.258   66.044   7.0412   45.085   11.043 20.95881 13.09654 
1 1 1    2   47  -14 o   25.297   7.4275  155.989  179.459  110.992  261.937  195.794  246.363   24.402   10.443   26.191   10.565 -1.789288 14.85507 
1 1 1    2   48  -14 o   23.624   7.0787   41.474  182.177  299.288  263.913 -193.1967  251.789   28.929   11.159   18.320   8.7128 10.60884 14.15749 
1 1 1    2   49  -14 o   82.063   4.1394  2121.71  191.444  2165.21  306.065  2093.75  245.370   81.969   6.4652   82.157   5.1712 -0.1882782 8.278889 
1 1 1    2    0  -15 o  194.878   1.8305 10970.00  205.979   0.0000   0.0000 10970.00  205.979  194.878   1.8305  194.878   1.8305 -0.000000 0.000000 
1 1 1    2    1  -15 o  594.727   2.2365 102154.20  768.194 102476.80  1088.91 101834.60  1083.89  595.662   3.1652  593.793   3.1606 1.869446 4.473018 
1 1 1    2    2  -15 o  203.029   1.1733 11941.14  135.193 12110.37  176.246 11699.23  210.725  204.783   1.4902  201.275   1.8128 3.507874 2.346653 
1 1 1    2    3  -15 f  959.113   3.5457 265762.50  1963.81 266598.50  2757.90 264902.69  2797.01  960.647   4.9708  957.580   5.0575 3.066833 7.091351 
1 1 1    2    4  -15 o   96.484   1.4102  2675.39   76.299  2635.12   96.576  2742.26  124.456   95.524   1.7505   97.445   2.2114 -1.921074 2.820415 
1 1 1    2    5  -15 f  1061.49   4.7503 325387.91  2901.89 328397.91  4297.60 322865.41  3934.21  1065.97   6.9806  1057.02   6.4445 8.953735 9.500576 
1 1 1    2    6  -15 o  333.867   1.6864 32187.69  324.604 32259.68  473.505 32123.86  445.862  334.218   2.4531  333.516   2.3147 0.7023621 3.372751 
1 1 1    2    7  -15 o  376.268   1.9118 40889.33  415.443 40917.41  584.644 40860.68  590.448  376.399   2.6894  376.138   2.7180 0.2615356 3.823673 
1 1 1    2    8  -15 o  132.870   0.9963  5108.18   75.394  5038.18  116.358  5158.83   98.984  132.084   1.5253  133.657   1.2823 -1.572968 1.992700 
1 1 1    2    9  -15 o   43.967   3.0229  555.946   76.134  539.972  100.770  577.192  116.214   43.235   4.0356   44.699   4.5017 -1.463573 6.045739 
1 1 1    2   10  -15 o  345.108   2.0823 34421.52  398.129 34479.86  497.379 34317.48  664.218  345.524   2.4924  344.692   3.3365 0.8317261 4.164691 
1 1 1    2   11  -15 o  1018.03   5.5841 299323.31  3079.19 300704.81  5394.26 298655.50  3750.22  1019.53   9.1611  1016.52   6.3878 3.009216 11.16823 
1 1 1    2   12  -15 o  403.749   2.5850 47098.57  602.550 46647.61  861.375 47530.69  843.186  401.854   3.7114  405.643   3.5991 -3.789703 5.169920 
1 1 1    2   13  -15 o  189.823   1.4931 10328.11  154.808 10169.78  189.494 10645.83  268.434  187.656   1.7484  191.991   2.4209 -4.335159 2.986242 
1 1 1    2   14  -15 o  362.472   2.3913 37950.19  500.576 37463.27  705.145 38444.85  710.731  360.128   3.3903  364.816   3.3732 -4.687897 4.782536 
1 1 1    2   15  -15 o  367.707   2.5042 39051.67  531.816 39051.67  531.816   0.0000   0.0000  367.707   2.5042  ?   ?       ?      ? 
1 1 1    2   16  -15 f  237.253   2.0892 16262.44  286.201 16434.65  401.849 16085.16  407.712  238.529   2.9170  235.977   2.9916 2.551575 4.178322 
1 1 1    2   17  -15 o  716.418   3.8673 147922.50  1510.02 147004.41  1848.38 149764.80  2618.27  713.218   4.4873  719.617   6.2998 -6.399475 7.734555 
1 1 1    2   18  -15 o  252.344   1.3479 18400.99  193.793 18451.89  254.249 18330.41  299.378  252.764   1.7416  251.924   2.0576 0.8399506 2.695761 
1 1 1    2   19  -15 o  311.419   1.8494 28096.56  290.733 27847.29  572.097 28183.35  337.572  310.460   3.1907  312.379   1.8711 -1.919006 3.698829 
1 1 1    2   20  -15 o  198.884   1.3272 11459.93  145.932 11301.60  243.917 11548.19  182.124  197.805   2.1351  199.963   1.5770 -2.157990 2.654360 
1 1 1    2   21  -15 f  407.176   1.5988 47890.48  375.958 47705.63  529.240 48078.80  534.165  406.383   2.2549  407.968   2.2671 -1.585663 3.197540 
1 1 1    2   22  -15 o  282.054   1.5737 22984.21  256.200 23057.98  356.519 22905.44  368.418  282.524   2.1850  281.584   2.2654 0.9398499 3.147396 
1 1 1    2   23  -15 o  232.896   1.1610 15667.57  156.155 15585.04  221.694 15748.83  219.988  232.287   1.6525  233.505   1.6312 -1.218124 2.322010 
1 1 1    2   24  -15 o  397.033   1.6060 45544.69  368.070 45562.86  512.309 45525.31  529.159  397.118   2.2337  396.948   2.3082 0.1703796 3.212027 
1 1 1    2   25  -15 o  222.624   1.2635 14360.13  158.492 14119.00  252.597 14516.70  203.546  221.068   1.9784  224.179   1.5721 -3.110458 2.526980 
1 1 1    2   26  -15 o  224.875   1.6955 14761.83  189.398 14323.78  379.723 14906.89  218.521  222.588   2.9538  227.162   1.6656 -4.574570 3.391034 
1 1 1    2   27  -15 o  145.527   1.5178  6107.23  119.728  6156.44  209.656  6083.42  145.849  145.944   2.4873  145.110   1.7403 0.8337555 3.035699 
1 1 1    2   28  -15 o  136.734   2.0592  5363.67  158.053  5585.90  258.024  5230.21  199.957  138.961   3.2150  134.506   2.5740 4.455322 4.118464 
1 1 1    2   29  -15 o  136.887   2.2058  5415.32  163.883  5405.21  200.006  5435.98  285.891  136.734   2.5327  137.040   3.6122 -0.3063965 4.411596 
1 1 1    2   30  -15 o  156.439   2.0844  6989.24  178.361  6807.57  218.147  7355.59  309.784  153.450   2.4615  159.427   3.3644 -5.976837 4.168734 
1 1 1    2   31  -15 o  229.916   2.0604 15289.00  257.449 15294.15  447.595 15286.46  314.720  229.880   3.3713  229.952   2.3698 -0.7189941E-01 4.120865 
1 1 1    2   32  -15 o  240.709   2.3902 16751.03  332.289   0.0000   0.0000 16751.03  332.289  ?   ?   240.709   2.3902      ?      ? 
1 1 1    2   33  -15 o  143.549   2.3081  5922.88  176.186  6069.88  320.907  5859.46  210.798  144.752   3.8386  142.346   2.5641 2.406647 4.616188 
1 1 1    2   34  -15 o  106.769   3.3826  3300.71  208.581  3300.71  208.581   0.0000   0.0000  106.769   3.3826  ?   ?       ?      ? 
1 1 1    2   35  -15 f  120.638   3.0126  4216.17  209.626  4104.27  287.788  4342.66  305.959  118.945   4.1893  122.332   4.3305 -3.386414 6.025230 
1 1 1    2   36  -15 o  125.345   3.0571  4574.35  220.670  4348.72  319.204  4780.90  305.403  122.345   4.5175  128.346   4.1201 -6.000603 6.114138 
1 1 1    2   37  -15 o   86.500   3.9675  2184.20  197.951  2334.04  282.375  2039.42  277.575   89.441   5.4664   83.560   5.7517 5.881302 7.935009 
1 1 1    2   38  -15 o   93.632   3.3949  2578.98  157.283  2510.25  316.854  2601.46  181.181   92.565   5.9269   94.699   3.3127 -2.134186 6.789828 
1 1 1    2   39  -15 o   17.638   6.0837 -513.7637  192.336 -673.9971  249.928 -281.0463  301.199   14.347   7.1790   20.929   9.8237 -6.582120 12.16735 
1 1 1    2   40  -15 o   54.559   4.7209  832.124  139.986  1039.02  253.906  741.773  167.790   58.962   7.4562   50.156   5.7924 8.805710 9.441768 
1 1 1    2   41  -15 o   80.865   3.8867  1912.69  177.339  2029.22  286.242  1840.09  225.921   82.664   5.9956   79.066   4.9475 3.597992 7.773323 
1 1 1    2   42  -15 o   78.008   3.5730  1805.31  152.074  1812.66  187.092  1790.99  261.069   78.566   4.1232   77.450   5.8365 1.116028 7.146020 
1 1 1    2   43  -15 o   67.220   4.2642  1365.66  151.592  1361.75  275.218  1367.36  181.626   66.545   7.1611   67.896   4.6318 -1.351479 8.528468 
1 1 1    2   44  -15 o   33.613   7.9035  395.332  181.103  335.147  266.578  446.919  246.801   31.635   11.406   35.591   10.943 -3.955860 15.80697 
1 1 1    2   45  -15 f   47.886   5.9804  817.086  139.439  898.522  165.529  618.081  258.762   54.420   5.2666   41.352   10.739 13.06724 11.96090 
1 1 1    2   46  -15 o   86.040   3.5566  2306.36  158.904  2101.51  289.616  2394.59  190.069   82.242   6.0974   89.839   3.6632 -7.597351 7.113178 
1 1 1    2   47  -15 o   56.389   5.9065  990.654  192.358   0.0000   0.0000  990.654  192.358  ?   ?    56.389   5.9065      ?      ? 
1 1 1    2   48  -15 o   81.930   4.2455  2127.35  199.746  1966.84  289.444  2273.30  276.003   78.513   6.3832   85.347   5.5994 -6.834785 8.491075 
1 1 1    2   49  -15 o   46.795   6.7479  817.721  174.255  788.761  279.920  836.045  222.660   44.121   11.018   49.470   7.7932 -5.348621 13.49574 
1 1 1    2    0  -16 o   80.054   2.5183  1860.34  115.010  1873.55  174.037  1850.10  153.238   80.278   3.7727   79.830   3.3369 -0.000000 0.000000 
1 1 1    2    1  -16 o  240.094   1.7839 16663.73  237.075 16702.91  295.897 16593.47  396.190  240.492   2.1304  239.695   2.8619 0.7969360 3.567789 
1 1 1    2    2  -16 o  1044.03   5.6514 315054.91  3298.62 314863.59  4170.52 315374.69  5390.82  1043.75   6.9184  1044.30   8.9381 -0.5474854 11.30282 
1 1 1    2    3  -16 o  251.868   1.7756 18305.02  244.066 18369.97  421.192 18272.19  299.468  252.199   2.8917  251.536   2.0614 0.6627045 3.551233 
1 1 1    2    4  -16 o  639.657   3.6221 118064.20  1267.59 117752.30  1559.11 118672.40  2177.09  638.462   4.2282  640.852   5.8821 -2.390198 7.244116 
1 1 1    2    5  -16 o  433.007   2.0694 54070.89  515.055 54962.73  769.639 53347.52  693.146  436.233   3.0548  429.781   2.7925 6.451355 4.138824 
1 1 1    2    6  -16 o  874.886   4.1136 221226.09  2077.81 223087.80  2906.75 219281.00  2971.23  878.660   5.7280  871.113   5.9058 7.546631 8.227267 
1 1 1    2    7  -16 o  287.016   1.8367 23885.58  289.120 23490.65  491.355 24094.72  357.574  285.188   2.9832  288.844   2.1435 -3.656250 3.673394 
1 1 1    2    8  -16 o  691.243   3.8000 138029.09  1419.84 138166.59  2495.25 137963.20  1726.61  691.423   6.2486  691.063   4.3260 0.3598633 7.600012 
1 1 1    2    9  -16 o  164.396   1.5504  7836.98  138.482  7711.23  239.905  7899.82  169.588  163.400   2.5422  165.393   1.7754 -1.992218 3.100732 
1 1 1    2   10  -16 o  969.097   5.2634 273057.69  2744.61 267396.91  4837.69 275744.69  3332.92  961.414   8.7125  976.779   5.9080 -15.36523 10.52674 
1 1 1    2   11  -16 o  481.851   2.6714 67427.56  697.113 66040.23  1213.87 68110.27  851.538  478.102   4.3961  485.599   3.0363 -7.497223 5.342700 
1 1 1    2   12  -16 f  722.224   4.1115 150374.70  1630.36 149516.09  2011.59 152018.30  2783.32  719.330   4.8420  725.119   6.6461 -5.789490 8.222908 
1 1 1    2   13  -16 o  288.453   1.7375 24029.45  289.460   0.0000   0.0000 24029.45  289.460  ?   ?   288.453   1.7375      ?      ? 
1 1 1    2   14  -16 o  546.997   3.1370 86131.47  904.708 87255.74  1668.32 85663.10  1076.79  549.445   5.2574  544.548   3.4238 4.896484 6.273948 
1 1 1    2   15  -16 o  258.765   1.7990 19353.14  254.850 19380.09  313.982 19301.11  436.302  259.039   2.0987  258.491   2.9225 0.5477295 3.598008 
1 1 1    2   16  -16 o  255.678   1.4677 18880.66  216.724 18845.88  306.155 18915.58  306.835  255.442   2.0752  255.914   2.0760 -0.4719238 2.935347 
1 1 1    2   17  -16 o   96.797   2.1109  2702.21  104.609  2716.68  202.095  2696.92  122.263   96.964   3.6088   96.629   2.1908 0.3350983 4.221705 
1 1 1    2   18  -16 o  353.367   1.5809 36104.64  316.386 35878.96  498.138 36257.24  409.615  352.431   2.4473  354.303   2.0018 -1.871277 3.161719 
1 1 1    2   19  -16 o  305.607   1.4156 26914.93  228.846 27129.67  419.120 26823.72  273.160  306.459   2.3680  304.755   1.5520 1.703979 2.831249 
1 1 1    2   20  -16 o  239.922   1.1832 16629.69  163.758 16541.35  237.157 16710.20  226.395  239.312   1.7159  240.533   1.6297 -1.220612 2.366463 
1 1 1    2   21  -16 o   86.087   2.5523  2149.72  107.766  2156.46  123.396  2128.04  221.226   86.395   2.4730   85.778   4.4655 0.6170731 5.104585 
1 1 1    2   22  -16 o  310.186   1.6434 27797.72  294.316 27791.16  421.603 27803.97  411.048  310.148   2.3537  310.223   2.2942 -0.7528687E-01 3.286830 
1 1 1    2   23  -16 o  247.935   1.1045 17727.07  156.711 17547.58  207.539 17965.17  239.028  246.481   1.4579  249.389   1.6595 -2.907654 2.208970 
1 1 1    2   24  -16 o  167.707   1.6244  8155.40  150.932  8229.28  188.935  8025.11  250.914  168.775   1.9383  166.639   2.6071 2.136246 3.248715 
1 1 1    2   25  -16 o  291.998   1.4957 24644.55  245.590 24599.17  395.100 24673.13  313.514  291.759   2.3448  292.237   1.8575 -0.4778442 2.991374 
1 1 1    2   26  -16 o  182.273   1.4473  9630.54  149.908  9776.65  196.069  9424.96  232.580  183.953   1.8455  180.593   2.2299 3.360107 2.894547 
1 1 1    2   27  -16 o   75.297   3.0369  1707.54  104.531  1535.84  230.444  1752.02  117.293   72.746   5.4849   77.848   2.6088 -5.101524 6.073714 
1 1 1    2   28  -16 o   78.981   2.2845  1804.68  104.204  1827.28  147.862  1782.37  146.876   79.473   3.2214   78.489   3.2401 0.9836044 4.569007 
1 1 1    2   29  -16 o  108.736   2.4365  3351.09  130.732  3287.75  149.318  3559.08  270.576  106.642   2.4244  110.829   4.2272 -4.186905 4.873050 
1 1 1    2   30  -16 o  208.731   2.2911 12594.35  276.198 12594.35  276.198   0.0000   0.0000  208.731   2.2911  ?   ?       ?      ? 
1 1 1    2   31  -16 o  203.243   2.0730 11990.03  208.066 12028.35  239.005 11870.09  422.831  204.007   2.0285  202.478   3.6158 1.528931 4.145937 
1 1 1    2   32  -16 o  232.617   2.4115 15651.28  323.816 16075.56  466.971 15258.30  449.422  235.648   3.4312  229.587   3.3894 6.061264 4.822955 
1 1 1    2   33  -16 o   50.873   4.2806  732.451  120.651  827.664  206.644  683.206  148.611   53.261   6.7178   48.484   5.3072 4.777184 8.561293 
1 1 1    2   34  -16 o   44.600   5.5244  575.956  114.875  562.003  129.529  627.364  248.627   43.970   5.1006   45.229   9.8010 -1.258774 11.04883 
1 1 1    2   35  -16 o  160.180   2.2303  7422.85  193.322  7408.79  235.284  7452.06  339.167  160.027   2.5457  160.334   3.6627 -0.3071136 4.460529 
1 1 1    2   36  -16 o   38.599   8.3984  456.570  181.900   0.0000   0.0000  456.570  181.900  ?   ?    38.599   8.3984      ?      ? 
1 1 1    2   37  -16 o  214.504   2.4076 13368.52  294.565 13209.14  452.239 13485.97  388.210  213.313   3.6708  215.695   3.1163 -2.381790 4.815241 
1 1 1    2   38  -16 o  154.964   2.1057  6956.41  184.722  6927.14  238.465  7000.31  292.090  154.620   2.6704  155.308   3.2564 -0.6871796 4.211309 
1 1 1    2   39  -16 o  118.705   2.9088  4089.23  199.417  4089.23  199.417   0.0000   0.0000  118.705   2.9088  ?   ?       ?      ? 
1 1 1    2   40  -16 o   18.923   6.4454 -402.8275  208.810 -392.7586  290.008 -413.6667  300.898   18.794   9.0474   19.051   9.1824 -0.2571945 12.89079 
1 1 1    2   41  -16 o   44.702   7.0401  603.229  181.755   0.0000   0.0000  603.229  181.755  ?   ?    44.702   7.0401      ?      ? 
1 1 1    2   42  -16 f   83.932   3.3196  2056.78  149.872  2006.42  180.654  2167.98  268.419   82.673   3.7835   85.191   5.4555 -2.517998 6.639109 
1 1 1    2   43  -16 o   38.200   7.6894  510.316  177.717  508.028  246.627  512.786  256.312   38.178   10.736   38.222   11.011 -0.4482651E-01 15.37874 
1 1 1    2   44  -16 o   94.700   3.4994  2644.33  191.396  2644.33  191.396   0.0000   0.0000   94.700   3.4994  ?   ?       ?      ? 
1 1 1    2   45  -16 o   47.615   7.1464  810.110  189.537  738.867  283.863  867.425  254.607   44.782   11.044   50.448   9.0722 -5.665207 14.29284 
1 1 1    2   46  -16 o   63.591   4.7767  1259.90  165.375  1352.74  288.840  1214.62  201.708   64.386   7.7675   62.796   5.5617 1.589684 9.553357 
1 1 1    2   47  -16 o   65.714   3.5477  1323.76  134.503  1390.06  190.231  1257.48  190.199   67.461   4.8825   63.968   5.1483 3.492645 7.095350 
1 1 1    2   48  -16 o   46.311   6.4583  788.816  165.400  666.702  255.166  877.306  217.214   41.218   10.645   51.405   7.3163 -10.18768 12.91657 
1 1 1    2    0  -17 o  217.453   1.7905 13591.59  211.175 13863.99  370.153 13460.16  257.125  219.044   2.9271  215.863   2.0629 -0.000000 0.000000 
1 1 1    2    1  -17 o  944.962   4.8774 257539.50  2381.18 256829.50  2797.73 259405.80  4535.71  942.813   5.1380  947.112   8.2920 -4.299316 9.754811 
1 1 1    2    2  -17 o  155.341   1.3944  6941.60  119.497  6877.85  148.120  7060.43  202.233  154.325   1.6619  156.356   2.2395 -2.031219 2.788750 
1 1 1    2    3  -17 o  397.045   2.4297 45616.07  530.710 45267.30  898.135 45803.18  657.842  395.862   3.9284  398.228   2.8603 -2.366943 4.859338 
1 1 1    2    4  -17 o  161.483   2.1596  7530.13  201.222  7494.85  278.277  7568.78  291.311  161.087   2.9911  161.879   3.1159 -0.7912140 4.319191 
1 1 1    2    5  -17 o  995.371   6.1964 286604.81  3560.75 286275.41  5105.63 286916.81  4968.49  994.790   8.8866  995.952   8.6378 -1.162231 12.39280 
1 1 1    2    6  -17 o   80.045   2.9300  1780.21  129.299  2085.16  225.430  1630.70  157.844   84.955   4.5945   75.135   3.6375 9.819473 5.860100 
1 1 1    2    7  -17 o  323.289   2.3003 30190.54  429.394 30115.92  613.702 30262.09  601.006  322.897   3.2909  323.681   3.2150 -0.7845459 4.600616 
1 1 1    2    8  -17 o   65.867   2.5515  1266.63   90.074  1217.04  159.160  1290.00  109.253   64.905   4.2459   66.830   2.8306 -1.925652 5.102939 
1 1 1    2    9  -17 o  199.925   1.8741 11512.51  191.762 11613.08  370.989 11475.84  224.007  200.510   3.2036  199.339   1.9457 1.171127 3.748198 
1 1 1    2   10  -17 o  229.626   1.2898 15216.82  168.683 15161.66  220.726 15294.28  261.540  229.128   1.6680  230.125   1.9678 -0.9963837 2.579639 
1 1 1    2   11  -17 o  947.241   4.3069 259309.80  2340.44 260160.41  3522.12 258637.30  3131.89  948.570   6.4291  945.911   5.7329 2.658813 8.613879 
1 1 1    2   12  -17 o  390.804   2.2910 44133.10  500.739 44175.86  633.662 44062.00  817.122  391.073   2.8055  390.535   3.6228 0.5382690 4.582080 
1 1 1    2   13  -17 o  620.846   2.8821 111369.30  1026.22 111413.70  1545.20 111334.20  1372.68  620.934   4.3088  620.757   3.8288 0.1777954 5.764122 
1 1 1    2   14  -17 o  363.003   2.1483 38045.54  423.554 38125.91  737.699 38006.01  517.320  363.266   3.5162  362.740   2.4693 0.5260925 4.296624 
1 1 1    2   15  -17 o  423.407   2.3955 51713.23  560.049 51515.96  695.840 52076.05  943.680  422.293   2.8531  424.520   3.8489 -2.226196 4.791064 
1 1 1    2   16  -17 o   86.333   1.8268  2153.71   90.953  2140.14  132.015  2165.98  125.486   86.073   2.6557   86.593   2.5092 -0.5196457 3.653546 
1 1 1    2   17  -17 o  279.465   1.8639 22568.81  287.371 22584.74  357.083 22539.53  484.131  279.621   2.2111  279.309   3.0012 0.3122559 3.727755 
1 1 1    2   18  -17 o  101.536   1.5358  2999.83   88.881  2830.02  135.000  3129.76  118.085   98.978   2.3616  104.094   1.9642 -5.115326 3.071686 
1 1 1    2   19  -17 o  132.805   1.9897  5037.03  118.910  5190.55  277.287  5002.44  131.627  134.008   3.5827  131.603   1.7318 2.404282 3.979336 
1 1 1    2   20  -17 o  127.916   1.8415  4685.89  106.723  4660.60  118.422  4795.22  246.264  127.027   1.6142  128.805   3.3104 -1.777786 3.682988 
1 1 1    2   21  -17 o  352.039   1.7997 35803.69  365.330 35911.60  532.225 35707.54  502.374  352.535   2.6140  351.544   2.4744 0.9914856 3.599376 
1 1 1    2   22  -17 o  346.309   1.6459 34643.43  322.794 34696.41  509.349 34607.87  417.290  346.511   2.5452  346.107   2.0876 0.4039307 3.291771 
1 1 1    2   23  -17 o  135.906   1.1789  5330.59   92.476  5198.91  128.087  5473.96  133.650  134.155   1.6532  137.658   1.6811 -3.502304 2.357731 
1 1 1    2   24  -17 o  315.995   1.5272 28876.53  272.358 28741.06  433.468 28964.89  350.095  315.361   2.3799  316.629   1.9145 -1.268311 3.054385 
1 1 1    2   25  -17 o  174.923   1.3771  8785.79  130.782  9001.94  229.175  8681.40  159.260  176.492   2.2483  173.354   1.5907 3.137527 2.754139 
1 1 1    2   26  -17 o   91.159   1.6776  2402.36   88.308  2440.69  124.436  2363.47  125.341   91.892   2.3447   90.425   2.4000 1.467361 3.355257 
1 1 1    2   27  -17 o  114.088   2.2626  3762.17  149.085  3762.17  149.085   0.0000   0.0000  114.088   2.2626  ?   ?       ?      ? 
1 1 1    2   28  -17 o  123.189   2.9012  4394.34  206.116  4432.41  300.236  4360.41  283.471  123.684   4.2030  122.695   4.0003 0.9894257 5.802440 
1 1 1    2   29  -17 o   86.598   2.5745  2168.38  128.759  2168.38  128.759   0.0000   0.0000   86.598   2.5745  ?   ?       ?      ? 
1 1 1    2   30  -17 o   75.354   3.7371  1686.73  134.480  1717.63  152.933  1581.35  282.409   77.032   3.4375   73.676   6.6369 3.356216 7.474300 
1 1 1    2   31  -17 f  172.458   2.1938  8655.44  207.555  8767.24  257.087  8446.19  351.732  174.122   2.5565  170.794   3.5658 3.328918 4.387522 
1 1 1    2   32  -17 o   53.485   5.6705  671.868  144.575  1166.18  343.520  565.467  159.377   62.914   9.4542   44.056   6.2638 18.85791 11.34093 
1 1 1    2   33  -17 o  171.404   2.1464  8488.43  202.896  8553.94  342.782  8453.09  251.730  171.854   3.4536  170.954   2.5496 0.9006042 4.292771 
1 1 1    2   34  -17 o   80.121   4.3741  1895.64  198.600  1744.54  304.866  2007.04  261.762   77.221   6.8358   83.022   5.4592 -5.800903 8.748198 
1 1 1    2   35  -17 o  114.299   2.7045  3802.30  135.269  3771.85  323.515  3808.75  148.911  113.845   4.9203  114.752   2.2469 -0.9068756 5.409063 
1 1 1    2   36  -17 o  173.274   2.5900  8713.29  258.979  8728.66  374.087  8699.14  358.889  173.404   3.7353  173.145   3.5889 0.2587433 5.180065 
1 1 1    2   37  -17 o  127.326   2.7554  4714.54  202.061  4700.78  296.729  4726.43  275.918  127.120   4.0417  127.532   3.7461 -0.4121399 5.510723 
1 1 1    2   38  -17 o   26.818   7.9756   63.583  207.867   61.584  274.174   66.286  318.778   25.934   10.871   27.701   11.673 -1.767012 15.95120 
1 1 1    2   39  -17 o   52.393   5.9686  920.873  154.082  1041.50  186.506  661.549  273.462   59.459   5.4311   45.327   10.630 14.13210 11.93722 
1 1 1    2   40  -17 o  111.430   2.9177  3652.18  171.216  3601.07  313.589  3673.89  204.366  110.540   4.9120  112.320   3.1504 -1.779686 5.835440 
1 1 1    2   41  -17 o  114.880   2.8469  3806.03  172.216  4052.85  321.392  3706.62  203.971  117.057   4.7539  112.703   3.1336 4.354507 5.693801 
1 1 1    2   42  -17 o   78.518   2.9420  1820.72  133.307  1796.67  184.408  1847.05  192.928   78.004   4.0933   79.032   4.2267 -1.028343 5.883947 
1 1 1    2   43  -17 o  104.301   3.4495  3275.28  206.829  3086.27  301.258  3443.81  284.464  101.218   5.1534  107.384   4.5867 -6.165375 6.898957 
1 1 1    2   44  -17 o   75.459   4.4438  1705.28  193.665   0.0000   0.0000  1705.28  193.665  ?   ?    75.459   4.4438      ?      ? 
1 1 1    2   45  -17 o   21.822   7.1198 -88.3900  210.034 -29.6482  292.353 -151.0496  301.944   22.595   10.268   21.049   9.8657 1.546045 14.23953 
1 1 1    2   46  -17 o   96.180   3.7140  2846.25  205.008  2787.96  305.186  2894.18  276.745   94.927   5.5666   97.433   4.9180 -2.506699 7.427913 
1 1 1    2   47  -17 o   39.196   7.9944  623.708  192.143  668.342  259.102  569.171  286.408   41.480   10.733   36.912   11.851 4.568634 15.98884 
1 1 1    2   48  -17 o   75.840   4.2608  1773.19  169.408  1673.31  199.552  2030.92  320.551   73.671   4.6900   78.009   7.1148 -4.338699 8.521570 
1 1 1    2    0  -18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    1  -18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    2  -18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    3  -18 o  243.569   2.1412 17129.24  301.106 17771.02  429.999 16511.78  421.775  248.044   3.0016  239.093   3.0544 8.950577 4.282417 
1 1 1    2    4  -18 o  1197.31   5.5508 414537.31  3833.35 412805.41  5282.78 416463.31  5571.06  1194.71   7.6562  1199.90   8.0391 -5.187622 11.10158 
1 1 1    2    5  -18 o  306.097   1.5754 27044.67  271.816 27131.36  434.999 26989.14  348.155  306.495   2.4574  305.699   1.9719 0.7955322 3.150789 
1 1 1    2    6  -18 o  452.316   1.9079 58975.39  472.694 59458.34  810.499 58726.44  581.907  453.702   3.0931  450.930   2.2344 2.772308 3.815742 
1 1 1    2    7  -18 o  412.342   1.5546 49118.07  368.378 49230.36  497.122 48981.31  548.603  412.868   2.0848  411.817   2.3066 1.051483 3.109141 
1 1 1    2    8  -18 o  840.611   2.9573 204085.30  1416.53 204645.80  2191.27 203682.80  1856.61  841.566   4.5084  839.657   3.8286 1.909241 5.914688 
1 1 1    2    9  -18 o  150.526   2.3613  6591.99  192.624  6409.50  334.338  6682.66  235.667  148.945   3.8866  152.106   2.6827 -3.160446 4.722565 
1 1 1    2   10  -18 o  406.570   1.8063 47736.87  420.713 47683.85  560.370 47805.36  636.908  406.317   2.3879  406.822   2.7107 -0.5056763 3.612530 
1 1 1    2   11  -18 o  144.136   1.5590  6000.45  129.777  5988.80  183.673  6012.06  183.391  143.997   2.2086  144.276   2.2009 -0.2794800 3.117952 
1 1 1    2   12  -18 o  643.736   2.7698 119711.50  1023.42 119470.70  1372.60 120013.00  1535.77  643.029   3.6960  644.442   4.1263 -1.413086 5.539522 
1 1 1    2   13  -18 o  206.600   1.5526 12326.76  185.241 12441.36  264.347 12216.19  259.657  207.543   2.2054  205.657   2.1861 1.886276 3.105270 
1 1 1    2   14  -18 o  442.312   2.6681 56651.77  639.301 56199.37  1116.21 56872.62  779.886  440.941   4.3831  443.684   3.0435 -2.743073 5.336143 
1 1 1    2   15  -18 o  179.338   1.4690  9296.33  151.146  9231.25  226.805  9348.34  202.722  178.770   2.1967  179.905   1.9511 -1.135239 2.938061 
1 1 1    2   16  -18 o  222.434   1.3086 14280.38  165.632 14231.60  216.288 14349.54  257.558  221.979   1.6871  222.889   2.0008 -0.9099121 2.617135 
1 1 1    2   17  -18 o  337.533   1.7252 32897.74  336.030 33260.35  486.545 32567.03  464.648  339.308   2.4828  335.757   2.3961 3.550201 3.450489 
1 1 1    2   18  -18 o  269.354   1.3921 20910.29  210.656 21157.68  340.929 20757.51  267.921  270.630   2.1812  268.077   1.7305 2.553253 2.784286 
1 1 1    2   19  -18 o  192.267   1.7874 10647.05  183.382 10769.06  330.946 10592.98  220.294  193.039   2.9684  191.495   1.9919 1.544464 3.574787 
1 1 1    2   20  -18 f  160.469   1.3141  7424.47  120.305  7350.06  157.905  7527.44  185.737  159.516   1.7140  161.422   1.9923 -1.905258 2.628104 
1 1 1    2   21  -18 o  193.722   1.4217 10840.15  159.042 10937.37  227.279 10746.87  222.632  194.572   2.0225  192.872   1.9986 1.700867 2.843443 
1 1 1    2   22  -18 o  342.766   1.6106 33978.37  311.965 34090.98  402.013 33807.91  494.615  343.504   2.0264  342.029   2.5039 1.474854 3.221156 
1 1 1    2   23  -18 o   22.613   5.4314  137.709   85.479  103.058  129.495  164.466  113.793   21.355   7.9093   23.870   7.4460 -2.515244 10.86272 
1 1 1    2   24  -18 o  187.805   1.5110 10179.14  163.348 10349.92  241.971 10036.15  221.412  189.246   2.2139  186.365   2.0571 2.881012 3.022056 
1 1 1    2   25  -18 o  328.083   1.4314 31103.91  271.216 31298.55  384.532 30911.23  382.590  329.104   2.0231  327.061   2.0254 2.042969 2.862738 
1 1 1    2   26  -18 o  221.386   1.2045 14161.60  153.998 14064.94  218.616 14256.80  216.964  220.635   1.7156  222.137   1.6912 -1.501480 2.409017 
1 1 1    2   27  -18 o  112.871   1.9100  3681.46  124.512   0.0000   0.0000  3681.46  124.512  ?   ?   112.871   1.9100      ?      ? 
1 1 1    2   28  -18 o   72.935   2.3360  1533.99   97.835  1587.88  147.509  1491.67  130.726   74.067   3.4483   71.802   3.1524 2.265274 4.672092 
1 1 1    2   29  -18 o  206.362   1.7135 12382.11  189.683 12121.52  336.232 12503.76  229.731  204.714   2.8438  208.010   1.9123 -3.295029 3.426982 
1 1 1    2   30  -18 o   60.754   3.7486  1073.20  130.748  1081.67  175.970  1062.75  195.356   61.043   4.9914   60.466   5.5941 0.5766830 7.497179 
1 1 1    2   31  -18 o  209.919   1.9034 12665.40  190.347 12604.11  214.921 12888.41  409.938  208.844   1.7819  210.993   3.3641 -2.148468 3.806831 
1 1 1    2   32  -18 o   60.394   3.0862  1057.77  107.482  1140.18  153.915  979.332  150.158   62.696   4.2507   58.092   4.4756 4.604317 6.172446 
1 1 1    2   33  -18 o   49.105   5.1114  701.344  144.960   0.0000   0.0000  701.344  144.960  ?   ?    49.105   5.1114      ?      ? 
1 1 1    2   34  -18 o   63.545   2.9205  1170.41  105.852  1160.22  138.891  1184.53  163.493   63.242   3.8026   63.849   4.4336 -0.6071701 5.840987 
1 1 1    2   35  -18 o  267.577   1.7180 20713.50  265.457 21098.70  379.592 20344.82  371.370  270.009   2.4342  265.144   2.4252 4.865631 3.436077 
1 1 1    2   36  -18 o  116.211   2.6284  3902.13  173.762  3805.01  225.679  4043.52  272.309  114.499   3.4127  117.922   3.9983 -3.423172 5.256768 
1 1 1    2   37  -18 o   65.361   4.4847  1231.19  156.500  1336.09  286.196  1186.45  186.922   67.058   7.3897   63.664   5.0837 3.393715 8.969481 
1 1 1    2   38  -18 o   70.944   3.7240  1443.62  149.984  1295.95  191.824  1675.90  240.578   66.453   4.9981   75.436   5.5220 -8.982941 7.448049 
1 1 1    2   39  -18 o   35.907   7.1062  434.357  152.649  495.488  184.519  301.792  271.722   39.674   8.3186   32.140   11.524 7.534107 14.21246 
1 1 1    2   40  -18 o   65.805   3.5226  1281.73  133.146  1282.13  198.839  1281.40  179.271   65.730   5.2379   65.881   4.7116 -0.1506805 7.045158 
1 1 1    2   41  -18 o   32.038   6.5744  330.739  130.221  426.474  194.361  252.760  175.413   35.854   9.3053   28.223   9.2898 7.630255 13.14871 
1 1 1    2   42  -18 o   17.440   5.7804 -178.8034  141.800 -258.2193  181.004 -52.6227  228.156   14.511   7.0253   20.368   9.1813 -5.857083 11.56072 
1 1 1    2   43  -18 o   28.512   6.6748  258.744  150.754  439.791  195.111  -9.4618  237.476   35.649   9.3578   21.374   9.5207 14.27507 13.34962 
1 1 1    2   44  -18 o   40.368   7.3819  588.587  176.614  755.625  258.861  443.114  241.574   46.134   10.004   34.601   10.858 11.53249 14.76381 
1 1 1    2   45  -18 o   11.433   5.7927 -622.0833  192.822 -622.0833  192.822   0.0000   0.0000   11.433   5.7927  ?   ?       ?      ? 
1 1 1    2   46  -18 o   55.077   4.6006  963.957  145.240  1129.79  212.420  818.367  199.033   59.784   6.1521   50.369   6.8420 9.415600 9.201124 
1 1 1    2   47  -18 o   84.169   3.4369  2145.93  163.040  2010.89  206.523  2369.31  265.619   81.201   4.4037   87.137   5.2780 -5.935638 6.873887 
1 1 1    2    0  -19 o  138.214   2.3352  5536.11  184.702  5450.45  278.086  5603.74  247.073  137.237   3.5137  139.191   3.0769 -0.000000 0.000000 
1 1 1    2    1  -19 o  430.357   2.6083 53628.13  609.727 53869.82  745.839 53141.16  1058.70  431.853   2.9904  428.861   4.2743 2.992004 5.216545 
1 1 1    2    2  -19 o   48.622   5.2575  683.261  147.637  683.261  147.637   0.0000   0.0000   48.622   5.2575  ?   ?       ?      ? 
1 1 1    2    3  -19 o  616.722   3.5037 110382.70  1197.07 111587.50  1499.03 108261.90  1988.80  621.456   4.1765  611.989   5.6268 9.467896 7.007433 
1 1 1    2    4  -19 o  113.377   2.3271  3722.72  151.503  3809.02  204.961  3618.78  224.947  114.832   3.0905  111.923   3.4800 2.908920 4.654164 
1 1 1    2    5  -19 o  503.948   2.9668 73134.11  812.825 74109.99  1416.78 72655.30  992.392  506.396   4.8443  501.500   3.4263 4.896210 5.933506 
1 1 1    2    6  -19 o  168.414   1.8760  8172.16  181.044  8035.01  240.469  8351.63  275.075  166.789   2.4963  170.039   2.8010 -3.249573 3.752002 
1 1 1    2    7  -19 o  662.138   2.5733 126575.80  982.529 128233.10  1434.18 125110.00  1348.77  666.212   3.7274  658.065   3.5488 8.147034 5.146600 
1 1 1    2    8  -19 o  120.405   2.2767  4177.73  154.389  4141.73  197.152  4234.80  248.254  119.742   2.8508  121.069   3.5504 -1.327431 4.553302 
1 1 1    2    9  -19 o  365.742   1.5452 38600.58  325.585 39117.85  479.108 38156.73  443.809  368.014   2.2542  363.469   2.1142 4.544586 3.090467 
1 1 1    2   10  -19 o  122.070   2.2630  4304.02  159.541  4304.02  159.541   0.0000   0.0000  122.070   2.2630  ?   ?       ?      ? 
1 1 1    2   11  -19 o  314.562   1.5662 28582.46  280.630 28592.71  367.720 28568.17  434.274  314.635   2.0236  314.488   2.3910 0.1471558 3.132358 
1 1 1    2   12  -19 o  115.938   1.9247  3878.03  128.785  3748.59  178.122  4019.81  186.420  113.913   2.7074  117.962   2.7363 -4.048477 3.849368 
1 1 1    2   13  -19 o  383.633   1.7164 42455.80  346.533 42655.16  639.771 42373.02  412.243  384.243   2.8829  383.023   1.8636 1.220581 3.432798 
1 1 1    2   14  -19 o  208.143   1.5869 12540.91  189.770 12240.36  281.337 12791.83  257.055  205.847   2.3665  210.440   2.1150 -4.593338 3.173854 
1 1 1    2   15  -19 f  272.551   1.9469 21532.99  284.576 21270.98  505.890 21654.28  344.198  271.307   3.2286  273.794   2.1767 -2.486908 3.893799 
1 1 1    2   16  -19 o  181.809   1.3964  9546.59  146.629   0.0000   0.0000  9546.59  146.629  ?   ?   181.809   1.3964      ?      ? 
1 1 1    2   17  -19 o   36.029   5.2471  392.558  104.934  344.650  166.404  424.186  135.204   33.792   8.5264   38.266   6.1177 -4.473900 10.49412 
1 1 1    2   18  -19 o  259.766   1.4434 19500.32  207.750 19469.54  346.601 19517.58  259.540  259.592   2.3118  259.941   1.7288 -0.3488464 2.886735 
1 1 1    2   19  -19 o  141.692   1.6076  5808.22  129.743  5754.70  200.357  5846.87  170.262  141.122   2.4582  142.261   2.0723 -1.138748 3.215157 
1 1 1    2   20  -19 o  102.835   2.2661  3056.95  134.152  3051.47  182.455  3063.39  197.926  102.739   3.0749  102.930   3.3295 -0.1906433 4.532167 
1 1 1    2   21  -19 o  128.054   1.4793  4746.36  106.996  4697.23  169.638  4778.82  137.881  127.495   2.3038  128.613   1.8562 -1.118187 2.958562 
1 1 1    2   22  -19 o  102.089   2.4042  3051.25  130.872  3112.33  158.149  2918.53  233.107  103.764   2.6390  100.414   4.0195 3.349503 4.808396 
1 1 1    2   23  -19 f  120.618   2.0293  4212.83  135.201  4186.24  226.867  4227.47  168.366  120.300   3.2653  120.938   2.4105 -0.6378403 4.058651 
1 1 1    2   24  -19 o   9.8519   4.9491 -373.7571  124.571 -373.7571  124.571   0.0000   0.0000   9.8519   4.9491  ?   ?       ?      ? 
1 1 1    2   25  -19 o  133.871   1.3551  5175.92  104.487  5215.64  153.796  5141.87  142.396  134.344   1.9822  133.397   1.8483 0.9471436 2.710188 
1 1 1    2   26  -19 o  186.852   1.3282 10079.39  142.661  9992.86  192.234 10185.46  212.840  185.966   1.7898  187.738   1.9630 -1.771927 2.656464 
1 1 1    2   27  -19 o  171.708   1.8215  8519.61  180.640   0.0000   0.0000  8519.61  180.640  ?   ?   171.708   1.8215      ?      ? 
1 1 1    2   28  -19 o  363.907   1.9454 38297.66  406.359 38279.93  545.209 38319.81  609.508  363.843   2.5946  363.971   2.8995 -0.1281128 3.890893 
1 1 1    2   29  -19 f  131.372   2.4652  5173.55  145.807  5285.38  162.636  4715.51  329.142  135.227   2.0824  127.518   4.4692 7.708267 4.930499 
1 1 1    2   30  -19 o   23.666   6.9568 -89.6372  122.152  283.450  314.308 -156.0135  132.574   33.817   12.356   13.516   6.3973 20.30044 13.91360 
1 1 1    2   31  -19 o  105.099   1.9954  3133.36  108.176  3335.28  209.307  3059.77  126.361  107.319   3.3769  102.878   2.1267 4.440804 3.990794 
1 1 1    2   32  -19 o   48.595   6.5901  636.277  164.778  957.899  316.447  516.630  193.009   56.006   10.157   41.183   8.3993 14.82278 13.18018 
1 1 1    2   33  -19 o  160.120   2.3669  7389.64  206.931  7308.27  253.508  7552.12  358.217  158.896   2.7624  161.345   3.8442 -2.449478 4.733810 
1 1 1    2   34  -19 o  100.785   2.0647  2918.55  117.532  2832.97  150.188  3053.76  188.785   98.924   2.6288  102.647   3.1845 -3.722801 4.129302 
1 1 1    2   35  -19 o   97.286   2.7324  2747.45  153.039  2787.74  226.323  2713.51  207.730   97.920   4.0020   96.652   3.7214 1.268105 5.464828 
1 1 1    2   36  -19 o  121.725   2.6101  4443.73  149.730  4548.87  169.693  4074.06  318.186  125.331   2.3443  118.118   4.6642 7.213501 5.220244 
1 1 1    2   37  -19 o   72.565   4.1681  1554.01  159.026  1553.00  292.763  1554.43  189.405   72.224   7.0185   72.906   4.4982 -0.6815643 8.336298 
1 1 1    2   38  -19 o  102.518   3.3807  3084.49  199.919  3007.62  274.743  3170.99  291.454  101.192   4.7011  103.844   4.8596 -2.651924 6.761364 
1 1 1    2   39  -19 o   48.497   4.8499  701.688  134.487  855.214  201.189  577.671  180.823   53.336   6.5313   43.658   7.1714 9.677437 9.699857 
1 1 1    2   40  -19 o   31.657   7.0432  343.847  152.335  436.526  183.669  139.570  272.682   36.550   8.8052   26.763   10.995 9.787365 14.08634 
1 1 1    2   41  -19 o   83.623   4.0633  2116.35  196.143  2026.72  273.822  2210.81  281.096   81.771   5.7981   85.476   5.6941 -3.704842 8.126538 
1 1 1    2   42  -19 o  127.170   3.0545  4827.16  223.332  4758.98  330.376  4884.53  303.065  126.138   4.5350  128.202   4.0931 -2.064133 6.109026 
1 1 1    2   43  -19 o   31.600   7.2022  369.417  161.427  475.102  199.832  170.919  273.865   36.847   9.3692   26.353   10.941 10.49445 14.40432 
1 1 1    2   44  -19 o  105.069   2.7227  3222.26  159.669  3039.41  199.164  3551.19  267.126  101.339   3.4029  108.800   4.2511 -7.461517 5.445333 
1 1 1    2   45  -19 o  112.719   3.1604  3903.79  184.110  3986.47  218.411  3700.80  342.220  116.022   3.2595  109.416   5.4155 6.606560 6.320758 
1 1 1    2   46  -19 o  115.039   2.3803  3929.91  157.539  4062.12  234.781  3821.63  212.473  116.670   3.4843  113.409   3.2439 3.261742 4.760633 
1 1 1    2    0  -20 o  229.973   1.5636 15280.79  207.548 15374.74  289.842 15181.91  297.335  230.700   2.1758  229.246   2.2462 -0.000000 0.000000 
1 1 1    2    1  -20 o  125.158   2.0798  4507.99  140.497  4477.59  170.359  4572.62  248.426  124.508   2.3691  125.807   3.4191 -1.299385 4.159633 
1 1 1    2    2  -20 o  781.684   2.7851 176459.70  1250.15 177457.70  1873.19 175658.20  1678.72  783.651   4.1388  779.717   3.7278 3.933594 5.570136 
1 1 1    2    3  -20 o  139.018   1.8970  5602.49  129.051  5620.32  147.613  5544.67  265.819  139.500   1.8322  138.536   3.3223 0.9634705 3.794008 
1 1 1    2    4  -20 o  507.308   2.2481 74297.60  648.982 74655.21  1009.15 74045.40  847.474  508.331   3.4374  506.286   2.8983 2.044617 4.496178 
1 1 1    2    5  -20 o   96.583   2.3494  2687.03  130.757  2446.16  180.041  2955.90  190.213   92.015   3.3879  101.151   3.2560 -9.135765 4.698875 
1 1 1    2    6  -20 f  164.955   2.2270  7859.30  212.168   0.0000   0.0000  7859.30  212.168  ?   ?   164.955   2.2270      ?      ? 
1 1 1    2    7  -20 o  325.986   1.6033 30687.12  297.358 30652.82  388.320 30735.74  462.359  325.773   2.0639  326.199   2.4542 -0.4269104 3.206686 
1 1 1    2    8  -20 o  522.248   2.2882 78988.84  683.653 80229.47  910.541 77385.76  1035.05  526.979   2.9917  517.517   3.4630 9.462280 4.576303 
1 1 1    2    9  -20 o  200.697   1.7883 11713.29  180.754 11795.74  209.833 11476.09  355.892  202.092   1.7978  199.302   3.0919 2.789932 3.576555 
1 1 1    2   10  -20 o  305.780   2.0632 27033.43  349.336 27084.05  436.175 26942.86  583.407  306.200   2.4664  305.359   3.3081 0.8406677 4.126341 
1 1 1    2   11  -20 o  161.443   1.6565  7534.77  153.215  7482.30  231.365  7575.76  204.477  160.938   2.4892  161.947   2.1862 -1.008957 3.312900 
1 1 1    2   12  -20 o  280.618   1.4634 22698.19  232.969 22999.27  366.642 22494.31  301.705  282.168   2.2498  279.067   1.8719 3.100555 2.926742 
1 1 1    2   13  -20 o   88.444   2.2731  2262.93  113.905  2273.08  147.588  2247.97  179.125   88.696   2.8811   88.192   3.5168 0.5039063 4.546275 
1 1 1    2   14  -20 o  159.130   2.0063  7314.63  184.387  7314.63  184.387   0.0000   0.0000  159.130   2.0063  ?   ?       ?      ? 
1 1 1    2   15  -20 o  260.481   1.5900 19610.95  237.514 19522.56  357.299 19680.93  317.930  259.948   2.3799  261.014   2.1090 -1.065704 3.179931 
1 1 1    2   16  -20 o  173.705   1.8190  8722.59  169.885  8729.40  205.672  8707.95  301.390  173.832   2.0486  173.579   3.0064 0.2529602 3.638030 
1 1 1    2   17  -20 o  197.181   1.8607 11329.27  188.776 11028.80  358.878 11444.22  221.966  195.326   3.1813  199.036   1.9309 -3.710205 3.721429 
1 1 1    2   18  -20 o  147.046   1.5522  6267.30  128.080  6162.45  206.398  6332.96  163.332  146.033   2.4472  148.059   1.9101 -2.026199 3.104385 
1 1 1    2   19  -20 o  195.179   1.3167 10977.47  147.116 10800.35  194.790 11212.66  224.455  193.356   1.7443  197.002   1.9728 -3.645599 2.633323 
1 1 1    2   20  -20 o  154.521   1.1720  6881.36  102.937  6987.76  161.083  6807.92  133.827  155.523   1.7934  153.518   1.5094 2.004410 2.344015 
1 1 1    2   21  -20 o  201.507   1.3848 11747.04  156.667 11795.12  199.620 11669.92  252.806  202.058   1.7106  200.955   2.1782 1.103119 2.769612 
1 1 1    2   22  -20 o  406.186   1.6826 47686.84  394.689 47840.79  561.734 47536.76  554.682  406.832   2.3907  405.541   2.3682 1.291138 3.365130 
1 1 1    2   23  -20 o  297.793   1.9412 25775.47  287.439 25905.06  331.399 25381.89  577.537  299.414   1.9164  296.172   3.3764 3.242157 3.882341 
1 1 1    2   24  -20 o   23.674   6.8146   65.267  142.101   54.104  178.781   84.417  234.172   21.930   8.9438   25.419   10.284 -3.488806 13.62921 
1 1 1    2   25  -20 o   37.022   4.4464  415.793   88.393  369.772  144.475  443.326  111.749   34.954   7.3878   39.089   4.9500 -4.134808 8.892792 
1 1 1    2   26  -20 o  186.127   1.2680 10005.18  135.877  9946.76  184.682 10074.13  200.625  185.539   1.7235  186.714   1.8605 -1.175064 2.536077 
1 1 1    2   27  -20 f  176.137   1.6926  9066.18  157.984  8724.00  285.003  9217.97  189.815  173.670   2.8414  178.604   1.8402 -4.933914 3.385262 
1 1 1    2   28  -20 o  196.930   1.3839 11214.83  156.089 11155.47  236.185 11260.85  207.982  196.456   2.0816  197.403   1.8243 -0.9468689 2.767866 
1 1 1    2   29  -20 o  220.105   2.1495 14004.64  273.245   0.0000   0.0000 14004.64  273.245  ?   ?   220.105   2.1495      ?      ? 
1 1 1    2   30  -20 o  179.649   1.4142  9325.38  146.603  9245.04  202.691  9413.51  212.300  178.842   1.9624  180.457   2.0370 -1.615326 2.828469 
1 1 1    2   31  -20 o  113.646   3.0266  3817.41  166.734  3621.18  343.977  3877.68  190.626  111.542   5.3396  115.750   2.8515 -4.207718 6.053273 
1 1 1    2   32  -20 o   81.338   3.9958  1937.48  169.003  1947.97  199.905  1911.19  316.420   81.903   4.2261   80.773   6.7828 1.130295 7.991656 
1 1 1    2   33  -20 o  176.237   2.3315  9091.60  221.957  8754.17  386.519  9257.61  271.115  173.648   3.8540  178.827   2.6250 -5.179001 4.663096 
1 1 1    2   34  -20 o   39.733   6.6578  529.992  134.933  355.789  288.128  578.929  152.714   35.023   11.912   44.443   5.9496 -9.420479 13.31555 
1 1 1    2   35  -20 o   32.138   7.1765  254.610  118.733  220.721  129.776  428.695  294.134   26.942   7.8564   37.334   12.012 -10.39231 14.35301 
1 1 1    2   36  -20 o  130.489   2.6101  4980.94  179.593  4902.38  328.341  5014.48  214.529  129.527   4.3892  131.452   2.8257 -1.925461 5.220109 
1 1 1    2   37  -20 o   50.939   4.3519  768.719  123.365  763.051  154.892  778.553  204.015   50.872   5.2719   51.006   6.9255 -0.1343613 8.703729 
1 1 1    2   38  -20 o  107.540   2.5076  3341.90  139.680  3295.95  164.041  3463.06  266.378  106.481   2.6674  108.598   4.2471 -2.116737 5.015277 
1 1 1    2   39  -20 o   85.249   3.3738  2129.88  164.036  2008.86  213.303  2305.06  256.620   82.450   4.4794   88.049   5.0464 -5.599678 6.747691 
1 1 1    2   40  -20 o   44.735   7.5058  699.858  192.454  809.144  264.635  577.173  280.389   49.171   9.6633   40.299   11.488 8.871948 15.01155 
1 1 1    2   41  -20 o   85.683   3.2341  2147.46  156.201  1989.48  197.449  2411.69  255.356   81.805   4.1792   89.562   4.9367 -7.757042 6.468148 
1 1 1    2   42  -20 o   44.736   6.4159  672.074  153.147  695.344  268.637  660.870  186.404   43.770   10.714   45.701   7.0623 -1.931026 12.83179 
1 1 1    2   43  -20 o   98.457   2.5629  2872.57  145.380  2932.45  214.065  2821.31  198.063   99.329   3.7315   97.585   3.5143 1.743462 5.125838 
1 1 1    2   44  -20 o   88.766   3.3667  2460.87  162.149  2619.28  202.338  2176.54  271.082   93.724   3.7380   83.807   5.6006 9.917534 6.733469 
1 1 1    2   45  -20 o  113.589   2.9599  3799.16  183.223  3606.38  222.472  4205.58  323.029  109.981   3.5025  117.198   4.7724 -7.216850 5.919715 
1 1 1    2   46  -20 o   35.564   8.3499  545.976  201.592  427.489  268.582  698.854  305.080   31.564   11.439   39.563   12.167 -7.998898 16.69989 
1 1 1    2    0  -21 o   72.818   4.3084  1547.93  179.740  1547.93  179.740   0.0000   0.0000   72.818   4.3084   72.818   4.3084 -0.000000 0.000000 
1 1 1    2    1  -21 o  206.793   1.1919 12342.16  140.241 12399.47  218.171 12301.80  183.076  207.199   1.8232  206.386   1.5359 0.8126221 2.383885 
1 1 1    2    2  -21 o  106.029   2.5523  3183.25  137.176  3115.01  158.696  3384.93  272.816  103.842   2.6461  108.215   4.3651 -4.372330 5.104532 
1 1 1    2    3  -21 o  326.188   1.3356 30754.86  248.736 30568.54  381.076 30893.15  328.321  325.322   2.0282  327.054   1.7382 -1.731934 2.671122 
1 1 1    2    4  -21 o  185.978   1.4940 10023.35  158.120 10191.08  207.601  9791.61  244.018  187.841   1.9136  184.115   2.2948 3.726089 2.987991 
1 1 1    2    5  -21 o   19.141   5.1722   37.091   89.662  149.321  123.106 -89.7031  130.850   23.379   7.7866   14.903   6.8099 8.476180 10.34439 
1 1 1    2    6  -21 o   86.920   2.2344  2170.64  111.346  2087.45  147.563  2280.62  169.676   85.000   3.0059   88.841   3.3069 -3.841179 4.468891 
1 1 1    2    7  -21 o  418.243   1.5842 50581.89  379.504 50114.61  573.560 50945.79  506.141  416.515   2.3843  419.972   2.0867 -3.456512 3.168497 
1 1 1    2    8  -21 o   82.819   2.1889  1987.96  103.566  1938.68  157.481  2025.52  137.479   81.907   3.3290   83.730   2.8430 -1.822289 4.377774 
1 1 1    2    9  -21 o  373.621   1.7538 40394.64  375.542 40893.70  502.662 39764.17  564.977  376.247   2.3132  370.995   2.6368 5.252319 3.507667 
1 1 1    2   10  -21 o   22.469   5.6591  110.367  100.944 -15.4569  155.175  202.675  132.911   18.555   7.9910   26.382   8.0154 -7.826744 11.31822 
1 1 1    2   11  -21 o  222.059   1.4162 14253.63  178.892 14301.53  233.822 14186.01  277.810  222.515   1.8195  221.602   2.1706 0.9123230 2.832331 
1 1 1    2   12  -21 o  216.873   1.8679 13577.44  222.295 13629.76  379.298 13550.06  274.349  217.172   3.0241  216.575   2.1934 0.5974884 3.735750 
1 1 1    2   13  -21 o  206.843   1.5543 12356.88  185.654 12570.00  265.198 12152.05  259.988  208.592   2.2013  205.095   2.1949 3.496872 3.108611 
1 1 1    2   14  -21 o  127.787   2.0042  4688.88  142.463  4830.54  237.321  4609.07  178.128  129.273   3.1786  126.300   2.4420 2.973022 4.008379 
1 1 1    2   15  -21 o  239.146   1.8006 16540.66  244.307 16603.84  317.451 16448.87  382.604  239.722   2.2929  238.570   2.7768 1.151962 3.601133 
1 1 1    2   16  -21 o   19.235   5.9520 -87.0609  124.779 -171.7854  156.784   59.325  206.085   14.963   7.0435   23.508   9.5967 -8.545083 11.90408 
1 1 1    2   17  -21 o  160.993   1.9566  7501.51  145.195  7475.54  325.342  7507.97  162.249  160.772   3.5038  161.213   1.7426 -0.4414825 3.913254 
1 1 1    2   18  -21 o  217.340   2.0415 13671.03  255.571 13441.06  373.705 13873.08  350.293  215.611   3.0010  219.069   2.7686 -3.457687 4.083086 
1 1 1    2   19  -21 o  222.149   1.5430 14261.19  197.898 14255.50  283.646 14266.59  276.241  222.103   2.2112  222.194   2.1526 -0.9062195E-01 3.086010 
1 1 1    2   20  -21 o  257.493   1.7917 19152.73  255.307 19213.57  427.638 19119.04  318.246  257.772   2.8725  257.214   2.1423 0.5586548 3.583377 
1 1 1    2   21  -21 o   94.430   2.3803  2584.68  129.315  2522.47  190.138  2638.23  176.393   93.361   3.5263   95.498   3.1982 -2.136330 4.760567 
1 1 1    2   22  -21 o   96.208   3.5407  2679.00  196.734  2679.00  196.734   0.0000   0.0000   96.208   3.5407  ?   ?       ?      ? 
1 1 1    2   23  -21 o  215.528   1.8290 13457.47  218.904 13527.40  274.573 13335.50  362.638  216.336   2.1976  214.720   2.9242 1.616089 3.657945 
1 1 1    2   24  -21 o   55.220   3.4262  841.396  101.497  1001.11  187.700  775.398  120.659   58.704   5.5362   51.736   4.0381 6.967670 6.852448 
1 1 1    2   25  -21 o   40.566   6.2840  456.392  133.611  385.947  158.283  631.022  249.211   35.655   7.8949   45.477   9.7790 -9.821873 12.56810 
1 1 1    2   26  -21 o   17.381   8.6027 -580.3240  116.994 -730.3737  321.010 -557.3405  125.635   17.381   8.6027  ?   ?       ?      ? 
1 1 1    2   27  -21 o  203.194   1.5342 11929.06  179.921 11783.99  249.240 12086.91  259.995  201.908   2.1374  204.481   2.2015 -2.572433 3.068407 
1 1 1    2   28  -21 o   88.546   2.6717  2267.86  136.630   0.0000   0.0000  2267.86  136.630  ?   ?    88.546   2.6717      ?      ? 
1 1 1    2   29  -21 o   69.696   3.0645  1453.13  111.706  1303.85  202.049  1518.84  134.058   66.963   5.2244   72.429   3.2048 -5.465675 6.128995 
1 1 1    2   30  -21 o  116.151   2.1729  3907.22  145.699  3866.76  208.484  3945.83  203.700  115.558   3.1238  116.744   3.0211 -1.185806 4.345756 
1 1 1    2   31  -21 o   39.018   6.1051  579.366  109.901  649.934  120.465  229.143  268.367   47.295   4.4102   30.741   11.386 16.55468 12.21023 
1 1 1    2   32  -21 f  260.500   2.1780 19533.40  312.243 20092.52  532.497 19240.42  385.466  263.191   3.5032  257.810   2.5888 5.380554 4.355938 
1 1 1    2   33  -21 o  254.058   2.1907 18765.24  304.432 18558.14  520.790 18872.74  375.215  252.822   3.5667  255.294   2.5448 -2.472046 4.381450 
1 1 1    2   34  -21 o   18.681   6.2475 -178.3834  142.217 -205.9382  307.489 -170.8850  160.404   22.299   10.281   15.062   7.1007 7.237228 12.49491 
1 1 1    2   35  -21 o  109.149   3.2687  3491.22  205.689  3346.33  295.532  3627.34  286.457  106.898   4.7869  111.400   4.4523 -4.502434 6.537382 
1 1 1    2   36  -21 o  139.660   1.8724  5673.85  149.722  5755.75  199.886  5569.15  225.985  140.862   2.4570  138.459   2.8260 2.402924 3.744755 
1 1 1    2   37  -21 o   96.408   3.1489  2893.39  122.415  2507.69  311.028  2964.09  133.163   91.743   5.8700  101.072   2.2812 -9.328392 6.297709 
1 1 1    2   38  -21 o  166.910   2.6615  8109.86  256.565  8109.86  256.565   0.0000   0.0000  166.910   2.6615  ?   ?       ?      ? 
1 1 1    2   39  -21 o   63.345   3.6566  1180.32  133.773  1180.32  133.773   0.0000   0.0000   63.345   3.6566  ?   ?       ?      ? 
1 1 1    2   40  -21 f   44.815   5.5964  655.552  139.292  581.198  207.787  716.235  187.716   41.614   8.9140   48.016   6.7691 -6.401356 11.19286 
1 1 1    2   41  -21 o   28.391   7.2371  190.126  153.451  488.042  269.095   46.564  186.801   36.153   11.474   20.628   8.8229 15.52519 14.47420 
1 1 1    2   42  -21 o   44.060   7.4175  684.082  173.265  769.779  322.502  649.310  205.431   44.284   12.214   43.835   8.4205 0.4494934 14.83495 
1 1 1    2   43  -21 o   23.458   7.2449   75.629  185.050   94.043  273.427   60.067  251.364   24.122   10.497   22.794   9.9883 1.327209 14.48981 
1 1 1    2   44  -21 o   67.426   3.7347  1413.57  144.375  1332.69  212.992  1482.32  196.374   65.310   5.6467   69.541   4.8894 -4.231361 7.469382 
1 1 1    2   45  -21 o   40.746   7.8006  673.680  191.647  847.216  280.848  522.454  262.173   46.325   10.711   35.168   11.343 11.15722 15.60116 
1 1 1    2    0  -22 o  341.685   2.1386 33868.37  407.224 33204.16  666.885 34263.30  514.230  338.978   3.4072  344.392   2.5857 -0.000000 0.000000 
1 1 1    2    1  -22 o   36.616   5.4597  397.764  109.311  426.772  177.527  380.050  138.729   37.623   8.3844   35.608   6.9953 2.015171 10.91935 
1 1 1    2    2  -22 o  272.696   1.3068 21479.44  205.801 21363.01  291.547 21595.06  290.551  271.960   1.8562  273.433   1.8399 -1.473602 2.613517 
1 1 1    2    3  -22 o   78.447   2.3987  1803.39  104.547  1876.24  132.500  1683.23  170.173   80.584   2.8470   76.309   3.8612 4.274704 4.797338 
1 1 1    2    4  -22 o  327.129   1.3678 30877.94  256.807 30625.28  343.788 31196.90  386.271  325.621   1.8281  328.637   2.0351 -3.015869 2.735612 
1 1 1    2    5  -22 o   87.103   2.8439  2192.13  143.066   0.0000   0.0000  2192.13  143.066  ?   ?    87.103   2.8439      ?      ? 
1 1 1    2    6  -22 f  287.891   1.8008 24065.54  244.365 23736.63  529.990 24154.33  275.384  286.595   3.2019  289.186   1.6488 -2.590149 3.601537 
1 1 1    2    7  -22 o  178.407   1.2930  9193.55  133.226  9219.37  189.038  9168.08  187.789  178.656   1.8321  178.158   1.8251 0.4973907 2.586002 
1 1 1    2    8  -22 o  248.229   1.1699 17821.19  166.448 17997.06  222.718 17598.68  250.512  249.621   1.5449  246.836   1.7573 2.785110 2.339767 
1 1 1    2    9  -22 o   90.704   1.8104  2393.02   91.666  2313.97  149.020  2441.14  116.265   89.485   2.8834   91.924   2.1899 -2.439713 3.620777 
1 1 1    2   10  -22 o  302.551   1.7447 26454.71  304.577 26279.57  439.512 26616.53  422.467  301.583   2.5234  303.518   2.4100 -1.934937 3.489351 
1 1 1    2   11  -22 o  189.454   1.4878 10364.14  162.439 10445.86  238.118 10293.01  222.159  190.150   2.1683  188.759   2.0378 1.391388 2.975595 
1 1 1    2   12  -22 o  ?   ?  -716.8414  110.922 -769.1937  155.345 -662.3859  158.434  ?   ?   ?   ?       ?      ? 
1 1 1    2   13  -22 f  231.991   1.5600 15549.33  208.703 15561.26  303.636 15538.65  287.338  232.072   2.2654  231.910   2.1453 0.1619568 3.119998 
1 1 1    2   14  -22 o  355.685   1.8045 36564.07  370.649 36340.68  526.955 36782.80  521.442  354.608   2.5730  356.763   2.5307 -2.155151 3.608984 
1 1 1    2   15  -22 o  123.237   1.9777  4329.22  127.727  4534.53  239.889  4247.99  150.895  125.223   3.3170  121.251   2.1548 3.971687 3.955425 
1 1 1    2   16  -22 o  168.815   2.1063  8146.60  196.459  7930.00  243.000  8555.34  333.812  165.640   2.5401  171.989   3.3606 -6.349426 4.212580 
1 1 1    2   17  -22 o  148.916   1.7118  6404.69  147.036  6320.54  202.303  6498.93  214.075  147.883   2.3686  149.949   2.4719 -2.066849 3.423584 
1 1 1    2   18  -22 o  121.130   2.5467  4137.05  165.318  4535.98  301.504  3965.56  197.684  125.156   4.1712  117.105   2.9229 8.050346 5.093312 
1 1 1    2   19  -22 o  237.078   1.4640 16252.12  194.296 16204.27  316.174 16281.16  246.288  236.776   2.3121  237.380   1.7964 -0.6042633 2.927955 
1 1 1    2   20  -22 o  228.374   1.8020 14992.79  204.401 15246.92  414.722 14911.24  234.915  229.578   3.1278  227.171   1.7905 2.406326 3.604045 
1 1 1    2   21  -22 o  154.127   1.5795  6881.97  135.075  6923.27  169.267  6809.56  224.135  154.786   1.8935  153.469   2.5287 1.317001 3.159061 
1 1 1    2   22  -22 o   88.456   2.5704  2262.49  131.027  2060.40  182.020  2479.83  188.764   84.355   3.7361   92.557   3.5312 -8.201851 5.140824 
1 1 1    2   23  -22 o  125.561   2.4905  4505.41  163.224  4429.50  192.410  4700.23  308.264  123.763   2.6919  127.360   4.1909 -3.596756 4.980931 
1 1 1    2   24  -22 o  126.174   2.2456  4584.77  155.927  4535.64  192.670  4678.02  265.452  125.237   2.6638  127.111   3.6159 -1.874016 4.491170 
1 1 1    2   25  -22 o  258.627   1.6672 19327.65  248.206 19213.55  337.127 19462.70  366.778  257.806   2.2642  259.448   2.4477 -1.642670 3.334379 
1 1 1    2   26  -22 f  163.279   2.0866  7700.35  193.726  7639.31  252.263  7788.10  302.457  162.518   2.6876  164.039   3.1925 -1.521088 4.173170 
1 1 1    2   27  -22 o  123.979   2.0212  4418.66  140.950  4571.73  228.504  4324.65  179.077  125.675   3.1482  122.283   2.5357 3.392639 4.042352 
1 1 1    2   28  -22 o  176.021   2.1382  9021.36  209.107  8771.49  344.276  9167.42  263.222  174.019   3.4255  178.023   2.5601 -4.004013 4.276494 
1 1 1    2   29  -22 o   34.916   6.2099  346.660  125.296  525.740  203.434  237.208  159.041   41.463   8.7693   28.370   8.7951 13.09240 12.41989 
1 1 1    2   30  -22 o   77.537   3.8152  1744.32  170.846  1744.32  170.846   0.0000   0.0000   77.537   3.8152  ?   ?       ?      ? 
1 1 1    2   31  -22 o  155.113   2.4543  7006.58  211.906  6874.63  348.115  7084.26  267.092  153.853   3.9177  156.373   2.9574 -2.519760 4.908630 
1 1 1    2   32  -22 o   14.828   7.3457 -516.7221  117.681 -537.5722  236.006 -509.8225  135.762   14.828   7.3457  ?   ?       ?      ? 
1 1 1    2   33  -22 o   87.123   2.6262  2199.71  132.144   0.0000   0.0000  2199.71  132.144  ?   ?    87.123   2.6262      ?      ? 
1 1 1    2   34  -22 o   15.842   4.9329 -46.6628   90.681 -120.1969  129.514   24.051  127.007   13.909   6.5008   17.775   7.4211 -3.865869 9.865754 
1 1 1    2   35  -22 o   57.924   3.1147  989.774  102.734  938.687  156.681  1028.30  136.065   56.525   4.7994   59.322   3.9714 -2.796608 6.229491 
1 1 1    2   36  -22 o  178.360   2.2290  9278.10  228.633  9355.32  310.139  9186.17  338.376  179.252   2.9958  177.468   3.3014 1.783722 4.457981 
1 1 1    2   37  -22 o  105.477   2.6081  3225.17  139.251  3185.62  161.457  3340.01  275.133  104.609   2.6724  106.345   4.4796 -1.735634 5.216208 
1 1 1    2   38  -22 o   43.243   6.3935  602.811  147.023  573.670  179.228  662.762  257.070   42.410   7.5963   44.077   10.286 -1.666367 12.78707 
1 1 1    2   39  -22 o   59.820   5.0992  1102.41  164.890  1067.73  199.869  1176.32  291.767   59.174   5.8483   60.466   8.3549 -1.291336 10.19838 
1 1 1    2   40  -22 o   55.451   5.8733  1093.01  158.739  787.596  278.172  1240.49  193.303   46.975   10.515   63.928   5.2356 -16.95245 11.74665 
1 1 1    2   41  -22 o   74.970   4.5650  1762.65  197.053  1748.38  289.032  1775.04  269.358   74.437   6.7231   75.503   6.1770 -1.066162 9.129979 
1 1 1    2   42  -22 o   19.126   6.0418 -14.6956  136.743 -47.1469  195.114   16.630  191.700   18.482   8.3950   19.770   8.6913 -1.287663 12.08365 
1 1 1    2   43  -22 o   64.012   5.3860  1251.40  176.057  1136.85  202.806  1601.73  354.679   60.220   5.8312   67.804   9.0573 -7.583645 10.77202 
1 1 1    2   44  -22 o   17.151   5.9845 -344.4686  168.691 -114.1510  324.370 -429.8542  197.501   21.309   10.061   12.992   6.4827 8.316970 11.96907 
1 1 1    2    0  -23 o   87.405   3.2247  2219.48  161.471  2049.25  222.171  2410.07  235.084   83.824   4.6213   90.986   4.4987 -0.000000 0.000000 
1 1 1    2    1  -23 o  203.003   1.1950 11935.77  138.280 11695.75  212.359 12112.47  182.202  201.222   1.8273  204.784   1.5405 -3.561630 2.390037 
1 1 1    2    2  -23 o  125.305   2.0391  4593.89  133.232  4671.59  158.263  4404.86  246.849  127.166   2.1549  123.444   3.4624 3.721893 4.078204 
1 1 1    2    3  -23 o  215.320   1.2550 13393.26  155.992 13347.86  223.927 13436.06  217.428  214.965   1.8037  215.676   1.7455 -0.7109375 2.509992 
1 1 1    2    4  -23 o  118.439   2.4222  4160.76  129.827  3885.56  293.092  4227.94  144.809  115.900   4.3786  120.978   2.0725 -5.077202 4.844317 
1 1 1    2    5  -23 o  182.719   1.4278  9607.38  144.469  9774.57  242.458  9515.34  179.890  183.937   2.2824  181.500   1.7161 2.436890 2.855552 
1 1 1    2    6  -23 o  122.286   1.7501  4324.94  123.396  4403.03  170.592  4239.24  178.707  123.448   2.3927  121.125   2.5546 2.322372 3.500142 
1 1 1    2    7  -23 o  289.845   1.3663 24262.77  228.654 24041.91  318.925 24496.38  327.997  288.489   1.9141  291.201   1.9503 -2.711975 2.732658 
1 1 1    2    8  -23 o   21.949   5.4093  106.966   94.042 -26.3219  143.953  206.203  124.212   17.503   7.6166   26.395   7.6830 -8.892754 10.81855 
1 1 1    2    9  -23 o  341.824   1.9996 33732.08  348.714 33850.39  677.055 33689.36  406.823  342.163   3.4261  341.484   2.0628 0.6791992 3.999182 
1 1 1    2   10  -23 o  125.075   1.4192  4518.26  102.500  4601.37  146.450  4438.46  143.509  126.202   2.0093  123.948   2.0047 2.254120 2.838316 
1 1 1    2   11  -23 f   71.166   2.5621  1463.44  104.775  1478.00  156.594  1451.64  140.981   71.481   3.7932   70.851   3.4453 0.6296539 5.124286 
1 1 1    2   12  -23 o   57.372   3.0321  951.858  100.420  925.557  139.375  980.252  144.811   56.549   4.2675   58.194   4.3086 -1.645580 6.064290 
1 1 1    2   13  -23 o  205.452   1.8495 12135.34  205.272 12384.25  362.870 12018.21  248.930  206.960   3.0358  203.944   2.1134 3.016174 3.699019 
1 1 1    2   14  -23 o  164.946   1.6991  7887.81  133.497  7819.67  285.734  7906.83  150.990  164.450   3.0085  165.442   1.5802 -0.9921265 3.398218 
1 1 1    2   15  -23 o  162.721   1.9526  7686.31  169.085  7736.12  203.276  7574.47  304.618  163.617   2.1512  161.824   3.2593 1.793045 3.905199 
1 1 1    2   16  -23 o  108.900   2.4288  3411.83  136.256  3474.25  261.426  3388.55  159.656  109.533   4.1325  108.267   2.5533 1.265968 4.857697 
1 1 1    2   17  -23 o   49.873   4.2490  747.893  112.397  791.893  136.826  656.594  197.095   52.274   4.5321   47.472   7.1887 4.801777 8.498058 
1 1 1    2   18  -23 o  202.726   1.8903 11875.61  221.327 11875.61  221.327   0.0000   0.0000  202.726   1.8903  ?   ?       ?      ? 
1 1 1    2   19  -23 o  308.146   1.4117 27444.76  251.199 27077.02  356.720 27806.49  353.795  306.095   2.0178  310.196   1.9748 -4.100739 2.823404 
1 1 1    2   20  -23 o   87.582   3.0056  2124.96  135.146  2018.16  156.538  2437.60  267.822   83.514   3.2455   91.650   5.0597 -8.136429 6.011139 
1 1 1    2   21  -23 o  171.943   1.5433  8562.81  148.722  8618.24  189.076  8472.87  240.848  172.695   1.8957  171.193   2.4360 1.501984 3.086694 
1 1 1    2   22  -23 o  184.643   1.5018  9890.03  157.445 10058.24  205.636  9651.72  244.761  186.563   1.9085  182.722   2.3193 3.840668 3.003607 
1 1 1    2   23  -23 o  148.293   1.6679  6343.39  140.106  6429.81  221.542  6285.79  180.868  149.117   2.5724  147.469   2.1236 1.647583 3.335752 
1 1 1    2   24  -23 o   83.973   4.0359  2032.55  186.768  1991.54  230.693  2110.57  318.179   82.838   4.8219   85.107   6.4732 -2.269287 8.071747 
1 1 1    2   25  -23 o   62.732   4.4871  1210.18  136.105  1269.80  156.973  1029.61  273.189   66.184   4.1067   59.280   7.9794 6.903561 8.974132 
1 1 1    2   26  -23 o  106.399   2.6892  3278.66  162.340  3292.50  254.827  3269.21  210.608  106.553   4.1409  106.246   3.4322 0.3073807 5.378408 
1 1 1    2   27  -23 o  131.625   2.3691  5072.09  156.627  5128.84  181.800  4908.67  308.504  133.169   2.3638  130.081   4.1064 3.087753 4.738123 
1 1 1    2   28  -23 o  122.666   1.8044  4327.43  125.301  4225.94  161.022  4483.23  199.504  120.875   2.3066  124.456   2.7756 -3.580887 3.608863 
1 1 1    2   29  -23 o  137.088   3.0075  5443.55  238.118   0.0000   0.0000  5443.55  238.118  ?   ?   137.088   3.0075      ?      ? 
1 1 1    2   30  -23 o   51.442   4.1320  771.810  122.175  883.537  177.919  672.116  168.064   54.981   5.6030   47.904   6.0747 7.077648 8.264097 
1 1 1    2   31  -23 o   72.753   3.3507  1550.21  138.672  1505.88  213.839  1582.38  182.170   71.785   5.1579   73.722   4.2785 -1.936829 6.701441 
1 1 1    2   32  -23 o   22.532   7.3473 -212.5172  222.559 -161.2086  318.261 -261.6201  311.345   23.438   10.675   21.626   10.098 1.811388 14.69452 
1 1 1    2   33  -23 o   71.873   5.2345  1517.81  217.280   0.0000   0.0000  1517.81  217.280  ?   ?    71.873   5.2345      ?      ? 
1 1 1    2   34  -23 o  103.468   3.0610  3242.28  134.112  2978.32  326.647  3295.79  147.081  100.338   5.6367  106.599   2.3890 -6.260330 6.122099 
1 1 1    2   35  -23 o   56.929   6.3642  983.467  179.814  1096.69  352.693  943.702  209.019   57.773   10.972   56.085   6.4528 1.687687 12.72845 
1 1 1    2   36  -23 o   65.335   4.6222  1264.91  154.316  1354.59  301.423  1233.06  179.645   66.176   7.8866   64.493   4.8230 1.683479 9.244424 
1 1 1    2   37  -23 o   71.700   3.4441  1598.13  130.818  1720.95  160.357  1353.75  226.195   76.503   3.6293   66.897   5.8545 9.605270 6.888175 
1 1 1    2   38  -23 o  111.493   2.7324  3763.60  163.663  3933.68  200.761  3426.63  282.588  115.865   3.0001  107.122   4.5676 8.743057 5.464796 
1 1 1    2   39  -23 o   55.341   5.5965  940.943  169.783  845.761  205.937  1142.93  299.997   51.890   6.8718   58.792   8.8352 -6.902195 11.19292 
1 1 1    2   40  -23 o   88.087   2.4217  2284.38  122.782  2180.02  165.606  2411.76  182.968   85.915   3.3375   90.259   3.5099 -4.344643 4.843417 
1 1 1    2   41  -23 o   26.725   6.7016  239.893  153.155  374.541  178.197 -140.7396  299.609   32.502   9.1209   20.947   9.8212 11.55481 13.40323 
1 1 1    2   42  -23 o   68.654   4.3312  1518.25  162.731  1605.41  204.963  1369.61  267.658   72.431   4.8996   64.876   7.1435 7.555367 8.662354 
1 1 1    2   43  -23 o   42.969   7.0203  704.424  166.680  659.907  290.484  726.275  203.517   39.431   11.821   46.507   7.5770 -7.076000 14.04060 
1 1 1    2    0  -24 o  421.881   2.5804 51514.12  595.140 51661.76  732.598 51227.59  1020.57  422.835   3.0003  420.927   4.1990 -0.000000 0.000000 
1 1 1    2    1  -24 o  163.396   2.1031  7678.06  179.481  7626.39  212.156  7808.12  336.606  162.467   2.2610  164.326   3.5468 -1.859207 4.206151 
1 1 1    2    2  -24 o  546.559   2.0175 86334.11  633.042 86292.50  850.049 86385.93  948.542  546.437   2.6935  546.681   3.0043 -0.2439575 4.034915 
1 1 1    2    3  -24 o   31.476   4.9959  295.453   87.799  325.096  135.489  273.995  115.278   32.817   7.3333   30.136   6.7866 2.680832 9.991708 
1 1 1    2    4  -24 o   90.890   2.3049  2400.63  119.218  2465.11  156.992  2312.79  183.234   92.349   2.9435   89.431   3.5476 2.918182 4.609704 
1 1 1    2    5  -24 o   64.337   2.9944  1175.60  105.231  1265.16  184.191  1132.20  128.216   66.103   4.8246   62.571   3.5480 3.531742 5.988760 
1 1 1    2    6  -24 o  451.331   1.7093 58920.63  441.902 58406.60  667.624 59321.43  589.524  449.557   2.5714  453.105   2.2528 -3.547913 3.418602 
1 1 1    2    7  -24 o   14.080   7.0577 -752.5688  133.954 -707.2192  246.459 -771.5821  159.583   14.080   7.0577  ?   ?       ?      ? 
1 1 1    2    8  -24 o  228.120   1.5162 15040.76  199.666 15225.98  279.367 14847.35  285.474  229.558   2.1072  226.682   2.1805 2.876709 3.032304 
1 1 1    2    9  -24 o   78.206   3.2190  1860.25  120.201  1936.99  137.542  1612.20  247.293   81.855   2.9094   74.557   5.7430 7.297798 6.437927 
1 1 1    2   10  -24 o   18.909   6.0082 -58.6948  122.003 -152.1555  245.561 -28.0632  140.582   20.608   9.3825   17.211   7.5074 3.396887 12.01637 
1 1 1    2   11  -24 o  193.610   1.7835 10829.57  199.426 10829.57  199.426   0.0000   0.0000  193.610   1.7835  ?   ?       ?      ? 
1 1 1    2   12  -24 o  236.279   1.4132 16137.85  190.526 16173.82  250.898 16088.87  292.822  236.601   1.8361  235.956   2.1488 0.6446838 2.826377 
1 1 1    2   13  -24 o  123.367   1.6165  4404.02  113.689  4432.67  149.532  4364.77  175.022  123.852   2.0905  122.882   2.4661 0.9691772 3.232947 
1 1 1    2   14  -24 o  152.854   2.0631  6759.87  177.031  6770.30  225.383  6743.07  286.042  153.034   2.5500  152.674   3.2440 0.3599091 4.126287 
1 1 1    2   15  -24 o  181.081   1.7907  9474.31  187.276   0.0000   0.0000  9474.31  187.276  ?   ?   181.081   1.7907      ?      ? 
1 1 1    2   16  -24 o  134.716   1.9331  5234.88  149.800  5387.94  223.360  5109.75  201.951  136.494   2.8334  132.937   2.6304 3.556931 3.866120 
1 1 1    2   17  -24 o   70.692   3.8579  1447.39  147.052  1440.56  178.285  1461.93  260.083   70.502   4.3785   70.881   6.3532 -0.3792953 7.715874 
1 1 1    2   18  -24 o  355.668   1.8540 36571.91  380.476 36437.88  526.256 36718.70  550.726  354.995   2.5668  356.341   2.6760 -1.345612 3.708003 
1 1 1    2   19  -24 o   38.745   4.8336  458.218  102.491  292.692  144.431  626.114  145.462   31.061   8.0019   46.430   5.4246 -15.36901 9.667260 
1 1 1    2   20  -24 o  150.444   1.6395  6539.41  140.072  6523.65  182.100  6562.24  219.203  150.237   2.0987  150.652   2.5193 -0.4145355 3.278960 
1 1 1    2   21  -24 o  135.385   1.5718  5298.26  122.617  5298.02  167.809  5298.55  179.606  135.386   2.1461  135.384   2.2970 0.2532959E-02 3.143608 
1 1 1    2   22  -24 o   25.573   6.3489  140.839  131.957  289.760  173.197 -65.2128  203.728   31.103   9.0778   20.043   8.8785 11.06082 12.69781 
1 1 1    2   23  -24 o   92.625   2.5800  2484.39  137.985  2508.40  197.555  2461.51  192.812   93.060   3.6757   92.190   3.6213 0.8698044 5.159900 
1 1 1    2   24  -24 o   52.648   4.8672  812.935  147.329  741.618  211.415  880.267  205.424   50.359   7.2690   54.936   6.4746 -4.576923 9.734365 
1 1 1    2   25  -24 o  102.518   3.0275  3047.19  166.209  3043.48  200.486  3055.36  297.227  102.509   3.3864  102.527   5.0195 -0.1807404E-01 6.055036 
1 1 1    2   26  -24 o  155.598   2.2280  7081.13  192.210  6754.11  316.267  7272.67  242.038  152.656   3.5872  158.540   2.6434 -5.883957 4.455945 
1 1 1    2   27  -24 o  141.069   1.8525  5803.81  147.448  5981.35  190.875  5541.12  232.188  143.800   2.2983  138.338   2.9061 5.461975 3.705077 
1 1 1    2   28  -24 o  133.146   2.0208  5136.37  155.202  5181.08  214.765  5087.49  224.539  133.763   2.7800  132.529   2.9336 1.234253 4.041542 
1 1 1    2   29  -24 o   68.145   4.3540  1300.45  164.803  1154.71  202.507  1586.26  283.594   62.838   5.5799   73.451   6.6852 -10.61252 8.707905 
1 1 1    2   30  -24 o  102.550   1.9095  3058.22  112.639  2890.71  163.920  3208.08  155.043   99.861   2.8422  105.239   2.5509 -5.378075 3.819009 
1 1 1    2   31  -24 o   72.975   3.5666  1461.54  135.443  1346.17  157.443  1790.01  265.659   67.972   4.0106   77.978   5.8989 -10.00554 7.133119 
1 1 1    2   32  -24 o   63.813   4.0014  1200.23  147.414  1175.78  204.970  1226.42  212.167   63.150   5.6200   64.477   5.6976 -1.327065 8.002893 
1 1 1    2   33  -24 o  175.361   2.4707  8967.05  247.010  8969.16  324.466  8964.13  380.943  175.522   3.2008  175.201   3.7648 0.3212280 4.941483 
1 1 1    2   34  -24 o   66.146   4.8230  1311.30  175.580  1291.13  217.174  1349.38  298.340   65.840   5.7113   66.452   7.7736 -0.6115417 9.646080 
1 1 1    2   35  -24 o   89.949   3.1456  2365.57  162.332  2608.62  247.577  2182.27  215.000   93.905   4.5649   85.992   4.3291 7.912689 6.291227 
1 1 1    2   36  -24 o   68.461   4.4590  1427.05  168.701  1421.94  210.421  1436.24  282.257   68.826   5.2936   68.096   7.1769 0.7301407 8.917954 
1 1 1    2   37  -24 o   61.840   5.7156  1209.88  202.178  1460.82  301.448  1004.72  272.573   67.894   7.6877   55.786   8.4600 12.10786 11.43122 
1 1 1    2   38  -24 o   66.545   4.7423  1404.73  159.785  1430.01  187.609  1337.94  304.909   68.957   4.7107   64.133   8.2320 4.824379 9.484507 
1 1 1    2   39  -24 o   24.969   9.2630  193.271  177.763   0.0000   0.0000  193.271  177.763  ?   ?    24.969   9.2630      ?      ? 
1 1 1    2   40  -24 o   35.051   6.7652  444.917  144.788  327.839  205.890  559.461  203.651   30.142   10.071   39.959   9.0362 -9.817484 13.53044 
1 1 1    2   41  -24 o   32.205   6.7270  380.650  133.731  372.745  197.083  387.395  182.057   31.726   9.7832   32.684   9.2358 -0.9580326 13.45406 
1 1 1    2   42  -24 o   21.921   7.0343 -21.0322  174.709 -112.5089  207.747  199.943  322.889   17.444   8.1785   26.397   11.447 -8.953182 14.06855 
1 1 1    2    0  -25 o   93.413   2.9425  2525.92  152.571  2582.52  251.984  2493.16  191.706   94.157   4.6598   92.669   3.5942 -0.000000 0.000000 
1 1 1    2    1  -25 o  353.409   1.7067 36070.68  343.938 36248.19  530.957 35942.34  451.459  354.136   2.5960  352.682   2.2164 1.454254 3.413450 
1 1 1    2    2  -25 o   17.008   5.7360 -253.7153  133.660 -158.0291  253.700 -290.4783  157.253   20.931   9.5325   13.084   6.3828 7.846871 11.47208 
1 1 1    2    3  -25 o  308.839   1.5446 27483.65  270.255 27169.01  348.767 27956.51  427.553  306.651   1.9693  311.026   2.3802 -4.374725 3.089213 
1 1 1    2    4  -25 o  110.541   2.0302  3554.06  125.433  3445.88  203.436  3620.41  159.321  109.159   3.2269  111.923   2.4647 -2.763718 4.060490 
1 1 1    2    5  -25 o  291.438   1.5589 24469.17  256.213 24202.70  327.751 24887.88  410.852  289.425   1.9608  293.451   2.4242 -4.026123 3.117879 
1 1 1    2    6  -25 o  113.082   1.8466  3702.64  119.429  3649.99  181.358  3742.95  158.698  112.363   2.7947  113.801   2.4146 -1.438179 3.693277 
1 1 1    2    7  -25 o  383.373   1.6271 42469.98  360.129 42677.93  517.276 42274.38  501.681  384.280   2.3307  382.466   2.2712 1.813293 3.254295 
1 1 1    2    8  -25 o   54.128   3.5755  811.622  109.252  1080.04  177.009  646.445  138.856   61.038   5.0213   47.219   5.0917 13.81828 7.151096 
1 1 1    2    9  -25 o  204.474   1.7810 11962.25  182.227 11840.74  209.954 12333.33  366.894  202.442   1.7957  206.507   3.0762 -4.065018 3.562009 
1 1 1    2   10  -25 o   45.127   5.4438  525.835  120.415  772.197  256.638  456.287  136.357   50.621   9.1134   39.634   5.9570 10.98667 10.88756 
1 1 1    2   11  -25 o   51.697   3.8616  777.592  114.999  829.986  161.171  723.252  164.135   53.487   5.2174   49.907   5.6945 3.579575 7.723228 
1 1 1    2   12  -25 o  219.056   2.2324 13869.13  282.427 13869.13  282.427   0.0000   0.0000  219.056   2.2324  ?   ?       ?      ? 
1 1 1    2   13  -25 o  155.054   1.5302  7002.68  127.947  6795.93  224.084  7102.69  155.850  153.318   2.5306  156.789   1.7211 -3.471329 3.060450 
1 1 1    2   14  -25 o  193.292   1.3080 10795.43  145.990 10820.58  208.713 10771.34  204.280  193.511   1.8675  193.073   1.8320 0.4384613 2.616040 
1 1 1    2   15  -25 o   57.204   4.0064  954.283  131.643  911.700  193.996  990.627  179.222   55.996   5.9986   58.413   5.3125 -2.416691 8.012880 
1 1 1    2   16  -25 o   74.314   3.7021  1551.72  127.147  1690.42  289.835  1518.67  141.489   76.189   6.5868   72.439   3.3819 3.750427 7.404248 
1 1 1    2   17  -25 o  174.417   2.4165  8794.87  243.417   0.0000   0.0000  8794.87  243.417  ?   ?   174.417   2.4165      ?      ? 
1 1 1    2   18  -25 o   11.300   5.7311 -966.2469  110.011 -1097.4030  134.300 -698.7492  191.796  ?   ?    11.300   5.7311      ?      ? 
1 1 1    2   19  -25 o  162.666   1.9058  7619.59  158.299  7722.72  307.644  7582.45  184.614  163.356   3.2608  161.977   1.9734 1.378525 3.811505 
1 1 1    2   20  -25 o  137.543   1.8978  5472.84  150.709  5554.96  211.674  5388.42  214.627  138.592   2.6445  136.493   2.7226 2.099533 3.795532 
1 1 1    2   21  -25 o  115.640   2.5121  3819.86  154.417  4006.93  283.003  3740.56  184.264  117.568   4.1679  113.713   2.8057 3.854767 5.024294 
1 1 1    2   22  -25 o   77.075   2.5812  1722.62  114.575  1745.58  156.846  1696.34  167.773   77.636   3.4980   76.514   3.7966 1.122391 5.162432 
1 1 1    2   23  -25 f  174.237   1.7736  8792.46  177.827  8928.22  242.439  8634.38  261.625  175.708   2.3891  172.766   2.6220 2.941177 3.547192 
1 1 1    2   24  -25 f   92.257   2.5585  2510.54  129.949  2315.32  215.116  2622.72  163.065   89.328   4.1696   95.186   2.9662 -5.857491 5.117056 
1 1 1    2   25  -25 o  110.624   2.2235  3544.79  135.403  3545.55  167.816  3543.37  229.205  110.691   2.6250  110.557   3.5897 0.1341324 4.447080 
1 1 1    2   26  -25 o  231.144   2.1621 15525.48  272.474 15328.68  469.023 15625.74  334.758  229.913   3.5322  232.374   2.4943 -2.460892 4.324135 
1 1 1    2   27  -25 o  122.237   1.9125  4329.24  134.742  4367.64  185.225  4286.08  196.370  122.824   2.6111  121.649   2.7950 1.175087 3.824919 
1 1 1    2   28  -25 o   37.485   7.5736  413.907  165.816  531.563  283.959  353.028  204.259   41.102   11.507   33.869   9.8506 7.233032 15.14713 
1 1 1    2   29  -25 o  147.091   2.2129  6239.49  185.782  6527.81  288.231  6034.56  242.995  149.932   3.3286  144.249   2.9167 5.682495 4.425716 
1 1 1    2   30  -25 o  133.353   2.4412  5185.49  178.410  5216.17  220.398  5127.18  303.865  134.077   2.8462  132.629   3.9669 1.447845 4.882373 
1 1 1    2   31  -25 o   88.336   3.6707  2303.48  176.447  2318.86  216.570  2273.12  304.305   89.057   4.2106   87.615   6.0138 1.442207 7.341321 
1 1 1    2   32  -25 o   77.623   4.2046  1837.27  162.174  1697.23  318.818  1886.15  188.365   74.980   7.3623   80.265   4.0634 -5.284920 8.409157 
1 1 1    2   33  -25 o   35.516   6.1892  458.692  131.882  571.538  156.204  178.574  246.105   43.651   6.1960   27.381   10.716 16.26983 12.37837 
1 1 1    2   34  -25 o   66.004   4.3583  1269.01  121.826  1387.81  307.545  1246.90  132.680   66.787   7.9731   65.220   3.5224 1.567337 8.716557 
1 1 1    2   35  -25 o   54.885   3.9266  892.018  123.266  1075.33  188.893  756.055  162.678   59.738   5.4749   50.031   5.6300 9.707237 7.853126 
1 1 1    2   36  -25 o   46.523   3.7656  649.688   98.942  630.748  126.598  679.414  158.601   45.864   4.7794   47.181   5.8204 -1.317112 7.531210 
1 1 1    2   37  -25 o   47.733   5.2357  726.338  117.841  743.295  241.730  721.052  134.964   46.538   9.3186   48.928   4.7762 -2.389671 10.47133 
1 1 1    2   38  -25 o   16.826   5.9028 -570.2657  216.032 -603.9560  292.274 -529.6947  320.735   15.989   7.9632   17.662   8.7155 -1.673594 11.80564 
1 1 1    2   39  -25 f  ?   ?  -921.6072  207.543 -921.6072  207.543   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1    2   40  -25 o   51.906   6.6136  1013.00  173.852  776.709  302.998  1128.97  212.270   44.027   11.712   59.784   6.1478 -15.75716 13.22728 
1 1 1    2   41  -25 o   42.373   7.1603  749.806  188.149  419.964  302.204  958.587  240.432   31.529   11.995   53.217   7.8226 -21.68849 14.32057 
1 1 1    2    0  -26 o  112.323   2.4162  3652.34  153.951  3682.10  240.350  3631.63  200.473  112.676   3.7025  111.971   3.1054 -0.000000 0.000000 
1 1 1    2    1  -26 o   36.433   6.1115  407.934  126.664  352.841  189.607  452.334  170.216   34.169   9.3407   38.697   7.8839 -4.527805 12.22309 
1 1 1    2    2  -26 o  184.643   1.4673  9836.54  152.351  9784.50  194.181  9919.86  245.717  184.024   1.8270  185.263   2.2965 -1.239288 2.934596 
1 1 1    2    3  -26 o   52.258   4.3481  787.450  130.211  748.023  172.007  840.372  199.280   50.752   5.8682   53.764   6.4178 -3.012054 8.696225 
1 1 1    2    4  -26 o  235.530   1.4952 16058.45  200.301 15873.74  310.685 16189.82  262.027  234.354   2.2954  236.707   1.9167 -2.353134 2.990427 
1 1 1    2    5  -26 o   21.473   6.4342   17.581  132.335   43.426  160.703 -36.8694  233.255   20.648   8.4570   22.298   9.6993 -1.649393 12.86845 
1 1 1    2    6  -26 o  306.609   1.3377 27139.73  234.332 27000.73  309.124 27327.51  359.297  305.700   1.7509  307.517   2.0230 -1.817169 2.675464 
1 1 1    2    7  -26 o   78.754   2.2431  1794.46  102.008  1765.81  144.749  1822.73  143.779   78.127   3.2079   79.380   3.1362 -1.252266 4.486255 
1 1 1    2    8  -26 f   86.626   2.5850  2167.56  129.098  2099.57  176.392  2245.99  189.452   85.170   3.5860   88.082   3.7241 -2.911926 5.169935 
1 1 1    2    9  -26 o   98.465   2.2278  2798.55  120.554  2825.17  205.306  2784.54  148.933   98.795   3.5982   98.135   2.6277 0.6590881 4.455545 
1 1 1    2   10  -26 o   36.772   7.0149  384.000  146.657  317.864  179.836  515.315  253.404   32.491   9.1787   41.053   10.611 -8.562000 14.02976 
1 1 1    2   11  -26 o  124.205   1.7914  4457.70  127.323  4479.42  193.859  4441.23  168.844  124.461   2.6969  123.950   2.3586 0.5116882 3.582790 
1 1 1    2   12  -26 o  125.669   2.3061  4563.15  150.959  4554.37  178.347  4585.35  283.494  125.512   2.4603  125.827   3.9011 -0.3155441 4.612121 
1 1 1    2   13  -26 o   24.311   6.7306  107.104  135.720   60.633  221.852  134.897  171.570   24.193   9.9259   24.430   9.0929 -0.2366447 13.46118 
1 1 1    2   14  -26 o  294.386   1.5847 25119.76  266.850 25576.13  355.455 24530.40  403.944  297.480   2.0689  291.292   2.4011 6.187500 3.169481 
1 1 1    2   15  -26 o  203.284   1.6055 11930.37  188.335 12306.81  273.262 11589.77  259.930  206.333   2.2931  200.236   2.2477 6.096924 3.210966 
1 1 1    2   16  -26 o   68.942   4.1090  1390.42  152.562  1358.12  268.106  1405.89  185.527   68.260   6.8007   69.625   4.6138 -1.364784 8.218081 
1 1 1    2   17  -26 f   68.742   4.0876  1369.32  162.285  1369.32  162.285   0.0000   0.0000   68.742   4.0876  ?   ?       ?      ? 
1 1 1    2   18  -26 o  357.339   2.2100 37163.95  396.931 37386.44  460.236 36517.97  784.229  359.625   2.2159  355.053   3.8244 4.572113 4.419979 
1 1 1    2   19  -26 o  112.323   2.8771  3630.80  150.378  3612.98  168.365  3701.09  334.374  111.769   2.6082  112.877   5.1291 -1.107430 5.754187 
1 1 1    2   20  -26 o  120.278   1.9138  4190.34  132.025  4136.99  198.077  4233.00  177.101  119.575   2.8682  120.980   2.5347 -1.405472 3.827675 
1 1 1    2   21  -26 o  118.442   2.8266  4068.50  164.196  4069.47  187.904  4065.38  337.685  118.598   2.7433  118.286   4.9430 0.3121109 5.653255 
1 1 1    2   22  -26 o   87.123   2.2856  2219.93  111.066  2286.66  141.110  2111.28  180.054   88.895   2.7485   85.351   3.6527 3.544220 4.571254 
1 1 1    2   23  -26 o   98.702   2.2019  2821.39  125.516  2825.64  177.044  2817.10  177.971   98.778   3.1034   98.627   3.1244 0.1512146 4.403752 
1 1 1    2   24  -26 f  171.391   1.8155  8501.06  179.704  8562.08  254.215  8440.11  254.064  172.008   2.5590  170.775   2.5759 1.231934 3.630951 
1 1 1    2   25  -26 o   89.281   2.2223  2303.43  114.360  2411.77  168.363  2210.63  155.823   91.219   3.1958   87.343   3.0890 3.876045 4.444666 
1 1 1    2   26  -26 o   71.418   3.0230  1478.01  123.998  1430.68  165.712  1538.23  186.916   70.146   4.0904   72.689   4.4524 -2.542908 6.046066 
1 1 1    2   27  -26 f   71.317   4.0657  1594.71  146.944  1264.15  268.754  1735.67  175.500   65.388   7.1166   77.246   3.9338 -11.85821 8.131438 
1 1 1    2   28  -26 o   54.984   4.2121  889.828  133.699  926.836  190.495  853.902  187.695   56.125   5.8769   53.844   6.0357 2.280907 8.424240 
1 1 1    2   29  -26 f   79.720   2.6723  1877.38  120.721  1698.50  184.261  2011.91  159.794   76.266   4.1833   83.175   3.3265 -6.908768 5.344654 
1 1 1    2   30  -26 o   41.690   6.8125  525.171  150.439  475.273  179.367  643.536  276.257   38.924   8.2357   44.455   10.854 -5.530403 13.62502 
1 1 1    2   31  -26 o  113.685   2.6467  3814.73  157.658  3866.06  187.867  3692.48  289.908  115.295   2.8213  112.074   4.4789 3.220757 5.293416 
1 1 1    2   32  -26 o   19.237   6.3528 -116.2954  144.395 -187.8809  311.195 -96.6547  163.005   22.027   10.221   16.448   7.5473 5.579079 12.70567 
1 1 1    2   33  -26 f   76.487   3.4663  1741.64  153.077  1796.63  217.223  1687.39  215.751   77.716   4.8396   75.259   4.9637 2.456818 6.932572 
1 1 1    2   34  -26 o   19.680   6.0374 -55.4538  136.878  132.028  198.567 -225.1984  188.941   23.920   9.5422   15.441   7.3991 8.478693 12.07472 
1 1 1    2   35  -26 o   81.328   4.2015  2111.91  171.435  1833.18  324.078  2220.22  202.015   76.186   7.3653   86.470   4.0451 -10.28487 8.403013 
1 1 1    2   36  -26 o   83.259   3.5631  2127.88  168.149  1905.15  254.446  2300.56  224.041   78.896   5.5841   87.622   4.4272 -8.726158 7.126206 
1 1 1    2   37  -26 f   41.891   3.7433  533.018   90.083  506.190  120.244  567.337  135.999   40.778   5.1057   43.005   5.4756 -2.227165 7.486677 
1 1 1    2   38  -26 o   24.275   5.7958  206.780  100.517  -5.2147  228.144  257.844  111.970   20.671   9.2603   27.878   6.9722 -7.207735 11.59163 
1 1 1    2   39  -26 o   57.760   5.3076  1110.30  169.540  1046.67  275.426  1149.12  215.128   55.261   8.6298   60.259   6.1815 -4.997890 10.61527 
1 1 1    2   40  -26 o   76.012   4.6881  1823.30  170.888  1781.25  193.927  1969.39  361.483   76.474   4.3907   75.550   8.2845 0.9239807 9.376124 
1 1 1    2    0  -27 o   49.272   7.4831  802.751  185.291  733.659  271.978  862.594  253.119   46.340   11.753   52.204   9.2659 -0.000000 0.000000 
1 1 1    2    1  -27 o   83.779   2.9257  2062.51  120.088  1977.89  244.808  2089.32  137.807   82.560   5.1342   84.998   2.8072 -2.437851 5.851495 
1 1 1    2    2  -27 o   15.423   5.0681 -194.2160  116.556 -40.5405  155.718 -390.0142  175.768   17.821   7.8338   13.026   6.4323 4.794287 10.13625 
1 1 1    2    3  -27 o  102.567   1.9118  3044.93  113.014  2992.58  164.403  3091.83  155.612  101.725   2.7983  103.409   2.6056 -1.683105 3.823538 
1 1 1    2    4  -27 o   32.328   6.7142  308.178  115.467  272.110  266.087  316.546  128.163   32.315   11.423   32.341   7.0596 -0.2613831E-01 13.42837 
1 1 1    2    5  -27 o  259.487   1.4977 19423.87  219.249 19291.44  280.935 19630.18  350.661  258.380   1.8826  260.593   2.3299 -2.212280 2.995452 
1 1 1    2    6  -27 o   80.279   3.1288  1950.74  115.004  1732.71  252.104  2008.03  129.234   77.227   5.6523   83.332   2.6852 -6.104477 6.257698 
1 1 1    2    7  -27 o  213.731   1.2473 13193.57  152.764 13153.92  203.574 13244.68  231.122  213.372   1.6520  214.091   1.8692 -0.7191772 2.494581 
1 1 1    2    8  -27 o   37.996   5.5405  442.114  112.841  466.625  138.213  393.116  195.415   40.060   5.9738   35.932   9.3329 4.128204 11.08100 
1 1 1    2    9  -27 o  111.963   2.1165  3626.42  135.538  3627.10  179.636  3625.51  206.523  111.989   2.7774  111.937   3.1945 0.5171204E-01 4.233063 
1 1 1    2   10  -27 o  137.693   1.7013  5497.38  126.043  5526.13  152.867  5436.33  222.758  138.286   1.9140  137.100   2.8133 1.185181 3.402645 
1 1 1    2   11  -27 o   52.702   4.2505  832.792  122.872  900.167  155.338  720.175  200.830   55.704   4.8284   49.699   6.9967 6.004555 8.501028 
1 1 1    2   12  -27 o   59.007   4.8432  1034.08  155.484  955.162  263.712  1076.14  192.503   57.149   7.9898   60.864   5.4764 -3.714687 9.686422 
1 1 1    2   13  -27 o  169.958   1.7096  8353.58  167.761  8508.43  236.074  8195.60  238.444  171.553   2.3827  168.363   2.4522 3.189056 3.419125 
1 1 1    2   14  -27 o   93.259   3.6543  2514.41  196.340  2684.43  290.428  2371.31  266.452   96.144   5.2304   90.375   5.1049 5.768860 7.308682 
1 1 1    2   15  -27 o  231.437   2.1690 15383.33  268.860 15194.33  323.425 15806.06  483.699  229.238   2.4429  233.636   3.5847 -4.397903 4.337922 
1 1 1    2   16  -27 o  142.506   1.6537  5870.98  136.097  5913.25  193.796  5829.86  191.170  143.012   2.3463  142.001   2.3310 1.010773 3.307391 
1 1 1    2   17  -27 o  115.527   2.9830  3877.73  176.687  3887.02  206.947  3852.75  339.367  115.892   3.0919  115.162   5.1024 0.7300568 5.966095 
1 1 1    2   18  -27 o  219.139   1.9683 13939.33  238.116 14051.54  296.690 13736.25  399.153  220.444   2.3303  217.835   3.1727 2.609497 3.936551 
1 1 1    2   19  -27 o   81.443   3.6973  1984.13  152.394  1812.60  291.956  2048.37  178.665   78.811   6.4143   84.076   3.6794 -5.265144 7.394684 
1 1 1    2   20  -27 o   89.747   3.0689  2331.97  159.070   0.0000   0.0000  2331.97  159.070  ?   ?    89.747   3.0689      ?      ? 
1 1 1    2   21  -27 o   90.338   2.7523  2401.52  139.716  2533.62  180.944  2206.47  219.874   93.512   3.3504   87.164   4.3677 6.347443 5.504665 
1 1 1    2   22  -27 o   95.557   2.3335  2644.40  126.943  2656.65  197.068  2635.72  165.962   95.718   3.5648   95.396   3.0123 0.3216400 4.667084 
1 1 1    2   23  -27 o   86.361   3.5857  2197.44  174.311  2059.60  274.600  2290.47  225.588   83.970   5.6623   88.752   4.4010 -4.781647 7.171483 
1 1 1    2   24  -27 o   16.555   8.2322 -652.9206  144.904 -627.7812  164.316 -740.8560  307.316  ?   ?    16.555   8.2322      ?      ? 
1 1 1    2   25  -27 o   70.439   3.1552  1422.24  127.115  1186.00  168.878  1731.03  193.078   63.783   4.5844   77.095   4.3363 -13.31273 6.310359 
1 1 1    2   26  -27 o  106.212   2.0797  3325.24  123.287  3052.27  197.398  3499.81  157.862  102.513   3.3341  109.912   2.4868 -7.399178 4.159397 
1 1 1    2   27  -27 o   21.231   6.5899 -27.1212  141.496 -40.9249  167.734   6.9408  263.486   18.296   8.0830   24.166   10.410 -5.870035 13.17974 
1 1 1    2   28  -27 f   60.119   3.6905  1079.55  124.332  1138.21  160.419  991.299  196.757   62.348   4.4550   57.890   5.8850 4.458698 7.381023 
1 1 1    2   29  -27 o   74.725   3.3398  1643.60  143.984  1687.34  200.886  1597.39  206.477   75.786   4.5896   73.664   4.8532 2.121880 6.679682 
1 1 1    2   30  -27 o  168.488   2.6004  8311.48  252.673  8184.74  365.715  8427.24  349.503  167.191   3.7874  169.784   3.5643 -2.592468 5.200817 
1 1 1    2   31  -27 o   25.667   6.7443  185.758  126.438  223.477  142.859   49.398  271.626   26.671   8.3467   24.662   10.596 2.009329 13.48859 
1 1 1    2   32  -27 o  158.681   1.7123  7311.12  151.903  7256.48  191.786  7403.10  248.833  158.044   2.1011  159.319   2.7043 -1.274979 3.424622 
1 1 1    2   33  -27 o   25.109   6.3849  183.966  113.940  165.461  141.318  218.344  192.614   23.534   8.3240   26.683   9.6841 -3.149393 12.76989 
1 1 1    2   34  -27 o  116.021   2.3956  3954.51  160.242  4281.51  233.683  3664.27  220.154  120.556   3.3562  111.487   3.4192 9.069611 4.791134 
1 1 1    2   35  -27 o  101.462   2.6023  3046.78  151.696  3002.47  203.765  3101.86  227.204  100.761   3.5015  102.164   3.8506 -1.402916 5.204598 
1 1 1    2   36  -27 o   16.218   5.7148 -350.3746  158.938 -311.8722  177.957 -502.1692  353.345   13.451   6.6090   18.985   9.3249 -5.533891 11.42951 
1 1 1    2   37  -27 o   94.307   3.8641  2717.40  179.931  2692.37  206.861  2795.19  364.693   95.015   3.7696   93.598   6.7464 1.416664 7.728158 
1 1 1    2   38  -27 o   50.217   4.5327  775.942  127.938  1073.71  200.528  571.523  166.147   58.393   5.9460   42.040   6.8429 16.35269 9.065364 
1 1 1    2   39  -27 o   85.397   3.9173  2290.07  191.693  2314.29  289.707  2271.21  255.665   85.363   5.8763   85.432   5.1816 -0.6872559E-01 7.834540 
1 1 1    2    0  -28 o  176.482   2.1445  8960.39  202.535  8878.51  243.800  9142.77  363.840  175.245   2.4098  177.719   3.5480 -0.000000 0.000000 
1 1 1    2    1  -28 o   38.602   4.9406  444.508  107.108  383.456  152.239  504.348  150.721   35.572   7.6383   41.632   6.2685 -6.059486 9.881213 
1 1 1    2    2  -28 o   75.702   4.0815  1628.63  167.785  1561.07  203.076  1773.97  297.835   73.360   4.7931   78.045   6.6076 -4.685333 8.162991 
1 1 1    2    3  -28 f   35.030   4.9145  366.195   97.417  312.969  137.929  419.173  137.607   32.107   7.5629   37.953   6.2778 -5.846039 9.828953 
1 1 1    2    4  -28 o  191.560   1.2035 10601.59  131.813 10609.59  201.175 10595.58  174.485  191.615   1.8178  191.504   1.5776 0.1112823 2.406940 
1 1 1    2    5  -28 o   12.324   4.3019 -308.0383  103.015 -313.6227  129.518 -298.4222  169.958   10.862   5.3916   13.785   6.7049 -2.923230 8.603796 
1 1 1    2    6  -28 o  112.519   2.0377  3746.81  122.839  3902.16  149.916  3429.42  214.285  116.188   2.2341  108.851   3.4086 7.336487 4.075499 
1 1 1    2    7  -28 o   88.441   2.9862  2216.25  127.688  2359.74  272.240  2175.78  144.577   90.152   5.2287   86.730   2.8863 3.421516 5.972445 
1 1 1    2    8  -28 o  301.754   1.4506 26312.09  252.731 26141.38  352.651 26492.33  362.379  300.750   2.0303  302.757   2.0724 -2.006836 2.901209 
1 1 1    2    9  -28 o  175.518   1.8422  8911.73  186.670  8712.96  265.522  9105.99  262.487  173.578   2.6486  177.458   2.5611 -3.880066 3.684349 
1 1 1    2   10  -28 o  219.476   1.5388 13934.31  191.887 13863.94  299.203 13983.47  250.090  218.985   2.3657  219.966   1.9686 -0.9811096 3.077674 
1 1 1    2   11  -28 o   74.674   3.9428  1629.41  142.555  1604.92  297.367  1636.71  162.436   74.174   6.9415   75.174   3.7414 -0.9999924 7.885585 
1 1 1    2   12  -28 o  193.704   1.7710 10861.37  197.728 10646.43  287.222 11055.00  272.608  191.871   2.5919  195.537   2.4139 -3.665787 3.541913 
1 1 1    2   13  -28 o   69.856   4.2194  1414.77  170.232   0.0000   0.0000  1414.77  170.232  ?   ?    69.856   4.2194      ?      ? 
1 1 1    2   14  -28 o   92.237   2.3351  2453.80  123.482  2536.22  187.609  2390.81  164.018   93.587   3.4710   90.888   3.1246 2.698616 4.670251 
1 1 1    2   15  -28 o   82.888   3.0985  2000.53  147.617  2212.37  207.930  1785.27  209.604   87.351   4.1216   78.426   4.6276 8.924843 6.196958 
1 1 1    2   16  -28 o   53.248   4.7067  828.454  140.784  830.179  179.535  825.699  226.865   53.390   5.8225   53.107   7.3966 0.2824745 9.413318 
1 1 1    2   17  -28 o  100.629   3.6023  2950.69  188.182  2930.02  354.053  2958.82  222.160  100.230   6.1163  101.028   3.8075 -0.7981491 7.204557 
1 1 1    2   18  -28 o  143.820   2.3370  5984.68  186.384  6016.61  310.835  5966.76  232.897  144.058   3.7360  143.583   2.8085 0.4743347 4.673911 
1 1 1    2   19  -28 o  167.876   1.9409  8164.07  188.015  7885.97  268.233  8432.67  263.612  165.053   2.8139  170.699   2.6739 -5.645370 3.881722 
1 1 1    2   20  -28 o  138.846   2.4632  5578.22  197.523   0.0000   0.0000  5578.22  197.523  ?   ?   138.846   2.4632      ?      ? 
1 1 1    2   21  -28 o  123.296   2.6419  4346.15  171.105  4571.23  320.228  4256.22  202.425  125.371   4.4226  121.220   2.8914 4.151283 5.283861 
1 1 1    2   22  -28 o  110.936   2.3096  3571.76  146.371  3587.38  193.522  3550.88  223.754  111.255   3.0118  110.617   3.5024 0.6382980 4.619272 
1 1 1    2   23  -28 o   69.081   2.8267  1403.34  111.477  1200.48  161.290  1588.88  154.250   64.203   4.3498   73.959   3.6112 -9.756485 5.653402 
1 1 1    2   24  -28 o  137.994   1.7589  5482.76  134.343  5400.72  166.986  5633.28  226.191  136.600   2.1166  139.388   2.8097 -2.788528 3.517767 
1 1 1    2   25  -28 o  102.280   2.5109  3039.64  148.224  3143.52  214.387  2944.51  205.159  103.947   3.5711  100.612   3.5307 3.335701 5.021779 
1 1 1    2   26  -28 o   64.847   4.4157  1119.19  137.221  1029.37  153.071  1486.73  309.655   59.306   4.4690   70.388   7.6172 -11.08165 8.831342 
1 1 1    2   27  -28 o   52.232   6.3699  889.984  156.109  772.977  315.892  927.794  179.569   48.453   11.467   56.011   5.5510 -7.558121 12.73975 
1 1 1    2   28  -28 o  107.229   2.1721  3353.35  133.114  3317.52  202.832  3380.45  176.422  106.656   3.2928  107.801   2.8337 -1.144234 4.344201 
1 1 1    2   29  -28 o  182.830   2.1121  9778.66  206.887  9836.11  250.172  9654.36  367.972  184.012   2.3540  181.649   3.5075 2.362595 4.224204 
1 1 1    2   30  -28 o   65.653   3.3553  1277.92  125.956  1296.22  192.635  1264.25  166.472   65.939   5.0584   65.367   4.4096 0.5715485 6.710550 
1 1 1    2   31  -28 o   62.467   3.9963  1198.20  138.741  1258.23  176.965  1102.45  223.501   64.955   4.7173   59.979   6.4520 4.975647 7.992582 
1 1 1    2   32  -28 f   34.781   5.6843  356.889  119.981  174.678  152.660  651.294  194.048   24.103   8.6380   45.458   7.3912 -21.35464 11.36862 
1 1 1    2   33  -28 o   65.269   4.5342  1351.91  148.083  1385.88  173.078  1259.09  286.062   68.059   4.4032   62.479   7.9276 5.580536 9.068338 
1 1 1    2   34  -28 f   34.631   6.2119  415.754  124.121  432.436  165.634  394.388  187.450   35.775   8.1928   33.487   9.3398 2.288548 12.42390 
1 1 1    2   35  -28 o   92.109   3.3180  2599.56  172.544  2757.49  226.387  2380.68  266.524   95.999   4.0832   88.218   5.2311 7.781403 6.636031 
1 1 1    2   36  -28 o   51.445   3.9324  798.732  114.835  940.519  184.363  708.852  146.786   54.914   5.8131   47.976   5.2976 6.938183 7.864876 
1 1 1    2   37  -28 o   33.077   6.8166  407.137  137.009  416.064  213.274  400.863  178.779   32.969   10.179   33.185   9.0694 -0.2157974 13.63319 
1 1 1    2   38  -28 o   27.367   6.4477  268.871  112.138  287.758  214.824  261.796  131.471   27.553   10.191   27.182   7.9021 0.3708801 12.89542 
1 1 1    2    0  -29 o   57.831   3.7481  1007.24  119.987  1176.73  166.731  825.176  172.808   63.267   4.6197   52.395   5.9036 -0.000000 0.000000 
1 1 1    2    1  -29 o   73.112   3.1811  1572.07  130.630  1655.79  168.954  1447.63  205.978   75.606   3.8693   70.617   5.0504 4.988632 6.362202 
1 1 1    2    2  -29 o   87.304   3.3007  2214.02  140.071  2205.21  291.519  2216.66  159.716   87.085   5.7962   87.523   3.1597 -0.4384384 6.601421 
1 1 1    2    3  -29 o  173.091   1.6115  8658.56  160.995  8728.95  232.361  8593.56  223.273  173.765   2.3153  172.418   2.2422 1.346802 3.223070 
1 1 1    2    4  -29 o   20.518   9.7324 -721.6137  139.102 -810.7584  155.640 -367.7478  310.094  ?   ?    20.518   9.7324      ?      ? 
1 1 1    2    5  -29 o  348.162   1.9865 35065.89  399.008 34986.46  577.734 35138.34  551.729  347.771   2.8764  348.553   2.7408 -0.7820129 3.973091 
1 1 1    2    6  -29 o   56.344   3.8686  929.834  124.865  1007.24  171.095  841.624  182.641   58.901   5.0296   53.788   5.8793 5.112728 7.737122 
1 1 1    2    7  -29 o  229.460   1.6953 15209.85  223.887 15065.87  303.556 15381.62  331.541  228.281   2.3024  230.639   2.4890 -2.357483 3.390585 
1 1 1    2    8  -29 o   66.604   3.3816  1283.22  129.861  1197.37  178.044  1380.81  189.824   64.230   4.7996   68.977   4.7650 -4.747452 6.763214 
1 1 1    2    9  -29 o  195.618   1.6346 11039.72  181.898 10927.88  236.987 11200.09  283.772  194.434   2.1104  196.801   2.4966 -2.367401 3.269107 
1 1 1    2   10  -29 o   85.048   3.1734  2107.31  154.145  2035.06  233.949  2162.74  204.913   83.722   4.8383   86.373   4.1078 -2.651375 6.346899 
1 1 1    2   11  -29 o   67.966   3.2854  1328.15  126.052  1399.45  203.074  1283.46  160.774   69.403   5.0663   66.529   4.1843 2.874229 6.570806 
1 1 1    2   12  -29 o  100.822   2.5235  2927.86  142.000  3009.18  234.490  2880.77  178.438  101.882   3.9851   99.762   3.0970 2.120468 5.047023 
1 1 1    2   13  -29 o  148.740   1.6875  6349.40  137.253  6548.38  237.436  6249.54  168.203  150.443   2.7327  147.037   1.9807 3.406067 3.375017 
1 1 1    2   14  -29 o  141.508   2.1308  5806.35  173.805  5995.80  240.957  5600.87  250.941  143.931   2.8987  139.085   3.1240 4.846313 4.261619 
1 1 1    2   15  -29 o  146.857   2.7449  6274.63  215.375  6201.39  385.380  6307.89  259.720  146.112   4.5669  147.602   3.0467 -1.490524 5.489861 
1 1 1    2   16  -29 o   91.813   2.4351  2461.69  123.822  2375.37  204.897  2511.34  155.410   90.487   3.9207   93.139   2.8891 -2.652077 4.870215 
1 1 1    2   17  -29 o   69.837   5.1635  1428.23  191.614  1443.78  347.605  1421.45  229.658   69.878   8.6131   69.795   5.6973 0.8261871E-01 10.32690 
1 1 1    2   18  -29 o   64.375   4.5009  1295.82  130.471  1081.28  286.410  1352.00  146.560   60.489   8.1984   68.261   3.7176 -7.771774 9.001865 
1 1 1    2   19  -29 o  103.232   2.6170  3031.91  149.690  2886.29  185.020  3307.83  254.688   99.781   3.2106  106.683   4.1336 -6.902039 5.233987 
1 1 1    2   20  -29 o   79.611   3.6860  1797.34  148.408  1742.47  171.225  1963.05  297.556   77.444   3.8282   81.778   6.3001 -4.333977 7.372015 
1 1 1    2   21  -29 o   92.043   2.6895  2441.30  140.072  2359.97  179.495  2567.98  224.002   90.154   3.4473   93.932   4.1291 -3.777916 5.378945 
1 1 1    2   22  -29 o   81.571   3.1584  1936.90  148.616  1823.57  204.858  2062.82  215.929   79.054   4.4869   84.088   4.4462 -5.033905 6.316712 
1 1 1    2   23  -29 o   22.316   7.0198 -41.1414  148.139   8.6763  327.257 -53.9803  166.135   26.748   11.562   17.883   7.9646 8.865068 14.03954 
1 1 1    2   24  -29 o   40.139   6.7184  442.829  134.251  378.941  152.285  665.659  284.402   34.892   7.7577   45.387   10.971 -10.49412 13.43682 
1 1 1    2   25  -29 o   95.701   2.7998  2672.01  154.397  2612.65  210.395  2741.28  227.283   94.582   3.8516   96.820   4.0646 -2.238480 5.599599 
1 1 1    2   26  -29 o   81.146   2.5859  1929.85  120.799  2062.01  168.644  1790.60  173.115   84.054   3.4740   78.238   3.8312 5.816330 5.171710 
1 1 1    2   27  -29 o  117.656   2.1637  4023.04  145.714  4130.88  222.637  3942.23  192.727  118.963   3.2404  116.349   2.8681 2.613541 4.327379 
1 1 1    2   28  -29 o   97.092   2.5987  2779.28  143.633  2848.94  189.304  2684.77  220.501   98.675   3.3218   95.510   3.9974 3.164787 5.197428 
1 1 1    2   29  -29 o   13.768   6.9837 -876.9504  166.574 -954.4106  285.444 -836.9500  205.123   13.768   6.9837  ?   ?       ?      ? 
1 1 1    2   30  -29 o   58.507   4.5418  1003.21  145.348  1214.12  258.432  905.624  175.786   62.342   7.1776   54.672   5.5671 7.669804 9.083591 
1 1 1    2   31  -29 o   40.189   5.8482  531.544  129.363  508.193  167.639  565.920  203.397   39.458   7.6322   40.919   8.8630 -1.461086 11.69633 
1 1 1    2   32  -29 o   45.904   6.3793  727.202  147.873  746.728  174.384  677.227  278.986   49.081   6.1519   42.726   11.178 6.355484 12.75867 
1 1 1    2   33  -29 o   45.266   6.7016  706.617  167.535  790.193  262.273  649.008  217.750   47.151   9.9441   43.380   8.9868 3.770813 13.40327 
1 1 1    2   34  -29 o   52.960   5.5706  866.243  170.387   0.0000   0.0000  866.243  170.387  ?   ?    52.960   5.5706      ?      ? 
1 1 1    2   35  -29 o   47.709   6.8861  645.469  130.747  1118.31  375.148  580.093  139.493   52.224   12.586   43.194   5.5918 9.030430 13.77222 
1 1 1    2   36  -29 o   39.587   5.8738  561.611  120.017  585.462  142.115  502.302  224.105   43.152   5.7024   36.022   10.271 7.129654 11.74765 
1 1 1    2   37  -29 o   25.036   5.6291  222.518   91.668  233.900  123.454  208.530  136.857   25.746   7.7033   24.326   8.2103 1.420467 11.25828 
1 1 1    2    0  -30 o   95.498   3.4289  2615.13  179.594  2512.20  221.282  2813.80  307.415   92.904   4.1428   98.092   5.4651 -0.000000 0.000000 
1 1 1    2    1  -30 o   31.606   7.4047  245.880  127.971  351.966  308.201  223.780  140.670   35.744   12.316   27.469   8.2239 8.274891 14.80946 
1 1 1    2    2  -30 o  150.098   2.1768  6539.29  180.469  6586.42  224.961  6454.22  302.279  150.908   2.5811  149.288   3.5059 1.619507 4.353555 
1 1 1    2    3  -30 o  100.889   2.9859  2982.08  141.592  3004.62  159.596  2898.77  306.876  101.916   2.7114   99.861   5.3209 2.055351 5.971868 
1 1 1    2    4  -30 o  349.762   1.7539 35358.26  347.597 35478.90  547.805 35276.95  449.730  350.212   2.7084  349.312   2.2292 0.9006653 3.507811 
1 1 1    2    5  -30 o   75.109   3.7579  1719.67  138.674  1800.33  160.899  1486.72  273.446   78.841   3.5336   71.377   6.6332 7.463158 7.515730 
1 1 1    2    6  -30 o  191.606   1.7604 10618.25  194.794 10670.23  274.048 10565.17  276.934  192.082   2.4703  191.130   2.5088 0.9523773 3.520868 
1 1 1    2    7  -30 o   80.219   4.1197  1877.70  150.446  1867.66  341.884  1880.11  167.540   79.878   7.4108   80.559   3.6010 -0.6811523 8.239357 
1 1 1    2    8  -30 o  107.183   2.5056  3328.67  155.079  3374.57  218.350  3281.95  220.292  107.933   3.5028  106.434   3.5837 1.499161 5.011246 
1 1 1    2    9  -30 o   50.937   7.1498  792.751  202.188  813.599  300.855  775.581  273.037   51.472   10.477   50.402   9.7322 1.069790 14.29959 
1 1 1    2   10  -30 o  261.702   2.0651 19788.01  295.331 19714.94  362.746 19931.67  508.621  261.084   2.4057  262.320   3.3572 -1.236633 4.130140 
1 1 1    2   11  -30 o   86.391   3.2119  2174.39  159.453  2092.77  234.995  2244.03  217.070   84.856   4.7950   87.927   4.2746 -3.071274 6.423736 
1 1 1    2   12  -30 o  286.716   1.7362 23779.25  286.502 23802.40  423.259 23759.68  389.226  286.824   2.5551  286.609   2.3514 0.2154541 3.472399 
1 1 1    2   13  -30 o  135.916   2.6662  5290.14  194.691  5176.83  234.349  5542.57  349.781  133.702   3.0349  138.131   4.3845 -4.429199 5.332385 
1 1 1    2   14  -30 o   95.627   2.4760  2653.25  136.531  2689.03  188.592  2613.84  197.911   96.317   3.3903   94.937   3.6095 1.380043 4.952016 
1 1 1    2   15  -30 o   40.741   7.1085  453.022  153.086  689.662  295.546  366.250  178.965   46.985   11.073   34.498   8.9174 12.48766 14.21699 
1 1 1    2   16  -30 o   95.711   2.6583  2658.53  146.920  2722.33  209.756  2597.08  205.851   96.840   3.7504   94.583   3.7684 2.256378 5.316580 
1 1 1    2   17  -30 o   60.409   4.1394  1078.12  136.832  1100.01  169.474  1037.11  231.911   61.436   4.7763   59.382   6.7621 2.054649 8.278879 
1 1 1    2   18  -30 o  203.764   1.6494 12015.67  194.018 11927.83  269.796 12109.75  279.211  203.000   2.3012  204.529   2.3637 -1.529068 3.298883 
1 1 1    2   19  -30 o  144.634   2.0438  6063.88  170.615  6024.62  236.820  6106.25  246.014  144.156   2.8445  145.111   2.9354 -0.9548340 4.087517 
1 1 1    2   20  -30 o   28.887   6.4836  238.059  121.552  177.039  158.664  324.755  189.122   25.377   8.8316   32.396   9.4947 -7.019371 12.96714 
1 1 1    2   21  -30 o   37.192   5.8453  433.241  122.640  367.167  174.997  497.013  171.922   34.224   8.8033   40.160   7.6923 -5.936539 11.69060 
1 1 1    2   22  -30 o   11.434   4.0628 -497.7671  119.166 -429.9816  166.445 -569.0530  170.689   11.907   5.9430   10.960   5.5412 0.9474783 8.125536 
1 1 1    2   23  -30 o   40.182   5.5631  507.749  125.171  599.687  171.059  401.781  183.648   44.818   6.6086   35.546   8.9510 9.272266 11.12628 
1 1 1    2   24  -30 o   95.926   3.2100  2681.49  177.840  2681.49  177.840   0.0000   0.0000   95.926   3.2100  ?   ?       ?      ? 
1 1 1    2   25  -30 o   41.398   5.7123  526.613  133.228  406.408  177.543  681.538  201.559   35.508   8.7209   47.289   7.3800 -11.78109 11.42450 
1 1 1    2   26  -30 o   58.425   4.8277  1011.56  131.145  992.288  146.709  1088.23  292.580   57.969   4.3820   58.880   8.6038 -0.9112625 9.655438 
1 1 1    2   27  -30 o  100.031   2.5495  2955.75  141.659  2882.00  233.185  2998.88  178.339   98.791   4.0870  101.271   3.0491 -2.480865 5.099047 
1 1 1    2   28  -30 o   34.446   6.7771  472.159  153.069 -35.7510  380.843  570.016  167.166   25.936   11.761   42.956   6.7381 -17.01994 13.55419 
1 1 1    2   29  -30 o   58.796   3.6561  1046.40  123.744  1133.51  174.332  957.933  175.676   61.391   4.9168   56.200   5.4124 5.191242 7.312256 
1 1 1    2   30  -30 o   21.512   6.2623   83.961  127.853   15.629  190.587  139.874  172.401   19.983   8.7283   23.040   8.9822 -3.056879 12.52455 
1 1 1    2   31  -30 o   21.513   6.8821 -72.0802  172.277 -171.6035  210.269  131.159  300.481   17.083   8.0767   25.942   11.145 -8.859196 13.76411 
1 1 1    2   32  -30 o   66.907   4.7024  1491.46  159.308  1607.66  190.792  1223.94  289.505   73.019   4.5242   60.796   8.2451 12.22231 9.404767 
1 1 1    2   33  -30 o   34.124   6.4671  426.271  127.803  453.953  156.295  370.413  222.021   36.748   7.6144   31.499   10.455 5.248774 12.93419 
1 1 1    2   34  -30 o   38.126   6.5446  619.812  154.036  248.577  296.804  756.660  180.204   27.567   11.413   48.686   6.4088 -21.11811 13.08924 
1 1 1    2   35  -30 o   58.523   3.9834  1078.43  134.499  1089.71  195.008  1068.19  185.750   58.712   5.7509   58.334   5.5134 0.3783531 7.966877 
1 1 1    2    0  -31 o   28.898   9.7954  357.145  182.872  357.352  319.835  357.044  222.902   28.670   14.891   29.127   12.731 -0.000000 0.000000 
1 1 1    2    1  -31 o  200.555   1.4659 11624.11  161.655 11613.65  200.018 11643.81  274.501  200.461   1.7276  200.649   2.3688 -0.1882477 2.931855 
1 1 1    2    2  -31 o   16.928   5.5828 -212.9931  134.150 -318.9633  177.582 -72.1373  204.736   13.967   6.8065   19.890   8.8511 -5.922951 11.16563 
1 1 1    2    3  -31 o   76.007   2.9424  1692.32  127.917  1489.95  186.135  1873.43  176.086   71.630   4.4994   80.385   3.7928 -8.755768 5.884709 
1 1 1    2    4  -31 o   61.947   4.4625  1122.25  159.105  1098.07  233.459  1143.21  217.415   61.291   6.5951   62.602   6.0133 -1.310863 8.925012 
1 1 1    2    5  -31 o  201.905   1.6335 11801.86  185.535 11736.90  297.870 11843.04  237.159  201.415   2.5606  202.395   2.0289 -0.9792023 3.266992 
1 1 1    2    6  -31 o   32.017   5.9739  350.582  118.634  442.969  136.850   71.182  237.986   38.956   6.0825   25.077   10.284 13.87931 11.94776 
1 1 1    2    7  -31 o   65.956   4.2597  1324.73  134.865  1373.14  154.524  1169.93  276.289   68.802   3.8888   63.110   7.5802 5.691563 8.519480 
1 1 1    2    8  -31 o   71.877   3.3870  1528.22  130.449  1431.67  228.796  1574.73  158.786   70.067   5.6539   73.688   3.7311 -3.620598 6.774054 
1 1 1    2    9  -31 o   17.243   5.7306 -280.1461  150.003 -456.6216  205.864 -80.3975  219.018   14.038   6.9374   20.448   9.1232 -6.410308 11.46123 
1 1 1    2   10  -31 o   38.831   7.1305  463.470  159.025  452.505  205.127  479.986  251.760   38.291   9.3554   39.370   10.764 -1.079472 14.26109 
1 1 1    2   11  -31 f  102.774   3.1889  3008.13  170.214  3217.78  325.844  2929.46  199.615  105.034   5.3715  100.513   3.4386 4.520653 6.377846 
1 1 1    2   12  -31 o   69.306   3.4208  1406.77  134.099  1358.68  210.223  1439.77  174.125   68.238   5.3342   70.374   4.2842 -2.135887 6.841627 
1 1 1    2   13  -31 f  161.637   2.2510  7559.45  210.141  7559.45  210.141   0.0000   0.0000  161.637   2.2510  ?   ?       ?      ? 
1 1 1    2   14  -31 f   65.498   3.6658  1245.80  137.436  1302.75  210.718  1203.64  181.307   66.754   5.4657   64.243   4.8866 2.510315 7.331559 
1 1 1    2   15  -31 o  145.613   1.8097  6266.08  135.600  6425.38  160.128  5862.26  254.945  149.051   1.8601  142.174   3.1048 6.877228 3.619419 
1 1 1    2   16  -31 o   50.936   5.1207  779.058  147.831  698.748  224.414  840.624  196.488   48.441   8.0215   53.431   6.3673 -4.990601 10.24146 
1 1 1    2   17  -31 o   73.186   3.5574  1546.22  145.246  1488.27  181.626  1649.05  241.913   71.423   4.4031   74.949   5.5887 -3.526016 7.114811 
1 1 1    2   18  -31 o  120.735   2.0988  4235.08  146.006  4169.12  212.978  4293.57  200.551  119.824   3.0776  121.646   2.8546 -1.822128 4.197601 
1 1 1    2   19  -31 o   35.801   7.4345  409.035  163.852  362.653  252.774  442.647  215.183   34.283   11.145   37.320   9.8423 -3.037308 14.86904 
1 1 1    2   20  -31 o  110.394   3.2953  3489.92  148.353  3696.01  392.081  3455.48  160.269  111.652   6.0803  109.135   2.5427 2.516800 6.590548 
1 1 1    2   21  -31 o   96.103   2.8895  2682.57  159.741  2403.49  215.897  3020.17  237.453   90.609   4.1256  101.596   4.0468 -10.98724 5.779053 
1 1 1    2   22  -31 o   54.121   3.8606  865.793  119.859  895.374  181.501  842.916  159.612   54.865   5.7279   53.376   5.1776 1.488918 7.721206 
1 1 1    2   23  -31 o   33.327   6.4992  319.404  134.055  170.213  169.861  565.780  218.283   24.921   9.0865   41.733   9.2947 -16.81211 12.99836 
1 1 1    2   24  -31 o   13.049   4.7355 -532.4055  132.607 -729.6326  301.029 -484.9182  147.711   15.902   7.9452   10.196   5.1549 5.706120 9.470951 
1 1 1    2   25  -31 o   86.908   2.8935  2230.95  140.197  2232.51  176.783  2228.31  230.147   87.203   3.5101   86.613   4.6008 0.5899124 5.786917 
1 1 1    2   26  -31 o   22.668   6.8011   64.760  153.529   64.537  202.952   65.058  234.748   22.076   9.3088   23.259   9.9179 -1.182850 13.60215 
1 1 1    2   27  -31 o   56.150   4.1710  953.094  133.602  1033.38  208.752  897.393  173.876   57.945   6.2378   54.354   5.5389 3.591042 8.342002 
1 1 1    2   28  -31 o  109.191   2.3552  3481.79  147.207  3745.84  226.638  3289.10  193.607  112.636   3.4839  105.745   3.1701 6.890236 4.710355 
1 1 1    2   29  -31 o   49.215   5.3979  801.898  139.616  838.842  173.479  733.977  235.223   52.207   5.7536   46.224   9.1349 5.982616 10.79585 
1 1 1    2   30  -31 o   44.794   5.3611  647.214  128.025  684.859  219.969  627.931  157.439   44.668   8.8396   44.920   6.0686 -0.2516632 10.72227 
1 1 1    2   31  -31 o   38.823   7.2960  550.883  164.310  507.182  213.414  614.494  257.479   37.361   9.7771   40.284   10.832 -2.922684 14.59199 
1 1 1    2   32  -31 o   34.836   7.0917  468.803  143.061  491.697  163.139  392.586  297.659   38.127   7.6743   31.546   11.928 6.581228 14.18345 
1 1 1    2   33  -31 o   61.941   4.9130  1180.60  175.758   0.0000   0.0000  1180.60  175.758  ?   ?    61.941   4.9130      ?      ? 
1 1 1    2   34  -31 o   73.967   3.4902  1707.05  138.097  1663.44  243.333  1727.78  167.723   72.258   5.8308   75.677   3.8375 -3.419106 6.980316 
1 1 1    2    0  -32 o  145.497   2.3526  6127.88  190.215  6157.38  314.720  6110.90  238.757  145.707   3.7455  145.288   2.8479 -0.000000 0.000000 
1 1 1    2    1  -32 o   26.007   6.9866  103.319  147.614  -2.8921  188.228  272.995  237.907   20.631   8.8412   31.383   10.820 -10.75160 13.97314 
1 1 1    2    2  -32 o  161.236   2.1740  7519.31  202.448  7519.31  202.448   0.0000   0.0000  161.236   2.1740  ?   ?       ?      ? 
1 1 1    2    3  -32 o   33.603   7.0643  223.583  128.918  130.235  143.612  610.978  292.560   23.007   8.3601   44.199   11.390 -21.19167 14.12866 
1 1 1    2    4  -32 o   35.407   6.3370  387.923  127.302  369.188  207.203  399.282  161.344   34.703   9.8693   36.110   7.9514 -1.407078 12.67397 
1 1 1    2    5  -32 o   13.230   6.5785 -589.1158  114.407 -481.9486  196.217 -644.3146  140.822   13.230   6.5785  ?   ?       ?      ? 
1 1 1    2    6  -32 o   41.059   5.2146  514.137  118.995  423.129  174.377  593.452  162.790   37.107   8.3398   45.011   6.2621 -7.904560 10.42916 
1 1 1    2    7  -32 o   51.635   5.8895  739.462  137.268  698.995  152.311  914.511  316.781   48.932   5.3895   54.339   10.474 -5.406837 11.77908 
1 1 1    2    8  -32 o   78.152   3.8466  1773.95  173.623  1773.95  173.623   0.0000   0.0000   78.152   3.8466  ?   ?       ?      ? 
1 1 1    2    9  -32 o   56.146   3.9521  909.211  124.855  977.296  203.747  868.270  157.995   57.737   6.1101   54.555   5.0144 3.182182 7.904294 
1 1 1    2   10  -32 o  170.453   2.6441  8437.71  254.487  8451.76  404.947  8428.55  327.164  170.464   4.1132  170.442   3.3236 0.2188110E-01 5.288153 
1 1 1    2   11  -32 o   83.269   3.6894  2008.22  170.250  2092.74  286.582  1962.11  211.646   84.475   5.8740   82.062   4.4656 2.413391 7.378728 
1 1 1    2   12  -32 o  185.896   2.5327 10040.21  271.871 10054.83  388.381 10026.15  380.701  186.019   3.6151  185.774   3.5482 0.2443542 5.065444 
1 1 1    2   13  -32 o   49.923   5.4484  761.557  150.077  688.688  229.126  816.310  198.610   47.252   8.7170   52.594   6.5385 -5.341831 10.89670 
1 1 1    2   14  -32 o  257.005   2.1699 19123.46  322.088 19123.46  322.088   0.0000   0.0000  257.005   2.1699  ?   ?       ?      ? 
1 1 1    2   15  -32 o   43.472   6.8754  546.569  160.618  777.185  285.869  440.181  194.163   49.523   10.329   37.421   9.0770 12.10218 13.75077 
1 1 1    2   16  -32 o  205.148   1.6585 12257.41  194.137 12621.88  257.639 11778.60  295.300  208.756   2.1369  201.539   2.5370 7.216660 3.317035 
1 1 1    2   17  -32 o   64.732   3.0205  1219.46  111.377  1519.06  164.086  963.497  151.668   72.130   3.9389   57.335   4.5803 14.79542 6.040976 
1 1 1    2   18  -32 o   62.814   4.1052  1189.88  146.106  1331.53  197.138  1017.26  217.628   67.225   5.0775   58.403   6.4520 8.822536 8.210369 
1 1 1    2   19  -32 o  156.992   1.6677  7150.50  151.189  7328.72  215.269  6977.03  212.387  158.926   2.3453  155.057   2.3716 3.868530 3.335448 
1 1 1    2   20  -32 o   79.225   3.8237  1815.66  163.022  1734.41  195.725  1999.73  294.582   76.773   4.4142   81.677   6.2449 -4.903755 7.647450 
1 1 1    2   21  -32 o   77.704   3.6983  1816.53  146.789  1749.06  279.998  1842.10  172.376   76.153   6.3662   79.255   3.7658 -3.102615 7.396666 
1 1 1    2   22  -32 o   23.314   6.7618  -7.3338  135.490 -109.8660  157.008  291.711  268.139   15.729   7.2849   30.900   11.394 -15.17154 13.52352 
1 1 1    2   23  -32 o   45.856   5.9625  672.502  154.173  768.243  225.294  588.180  211.433   49.489   7.8823   42.222   8.9485 7.267326 11.92502 
1 1 1    2   24  -32 f   85.811   2.6225  2199.19  125.879  2050.85  201.052  2294.83  161.438   83.155   4.1863   88.466   3.1597 -5.310493 5.244900 
1 1 1    2   25  -32 o   17.130   5.8009 -210.5949  152.368 -160.3665  181.969 -328.4258  278.710   16.002   7.5496   18.258   8.8094 -2.255789 11.60182 
1 1 1    2   26  -32 o   50.419   4.5391  785.997  129.429  809.790  205.665  770.394  166.543   50.696   7.0242   50.143   5.7509 0.5535393 9.078135 
1 1 1    2   27  -32 o   24.086   6.5644  161.791  131.362  213.236  178.191  100.551  194.415   25.821   9.3231   22.351   9.2437 3.470133 13.12885 
1 1 1    2   28  -32 o   37.856   6.4290  487.358  141.973  327.047  188.775  696.099  215.411   30.414   9.6060   45.298   8.5471 -14.88397 12.85803 
1 1 1    2   29  -32 o   29.280   6.4180  236.485  138.428   19.562  179.812  552.111  216.896   19.365   8.4677   39.195   9.6468 -19.82936 12.83602 
1 1 1    2   30  -32 o   22.156   7.0022   7.4158  182.860  119.631  277.207 -79.0287  243.303   24.584   10.634   19.728   9.1132 4.855352 14.00436 
1 1 1    2   31  -32 o   25.015   6.1565  204.875  115.238  103.400  163.065  306.115  162.876   20.887   8.5327   29.144   8.8772 -8.257002 12.31306 
1 1 1    2   32  -32 o   14.136   4.8892 -234.4877  121.748 -227.6638  148.281 -248.6055  213.281   12.615   6.1635   15.658   7.5915 -3.043068 9.778496 
1 1 1    2    0  -33 o   18.260   8.2745   27.649  194.243 -27.2900  316.782   60.752  245.895   18.398   12.039   18.122   11.355 -0.000000 0.000000 
1 1 1    2    1  -33 o  168.777   1.4726  8238.15  143.412  8165.12  198.187  8318.43  207.783  167.999   2.0426  169.556   2.1218 -1.557510 2.945235 
1 1 1    2    2  -33 o   47.486   3.6459  660.671   99.692  624.543  143.927  693.989  138.219   46.209   5.3930   48.763   4.9078 -2.554707 7.291877 
1 1 1    2    3  -33 o   79.851   4.1383  1776.52  162.627  2051.52  343.672  1697.18  184.603   83.339   7.1402   76.363   4.1857 6.975639 8.276626 
1 1 1    2    4  -33 o   15.817   5.2518 -172.9519  121.417 -187.7162  165.456 -155.7236  178.730   15.108   7.1494   16.527   7.6949 -1.419535 10.50363 
1 1 1    2    5  -33 o   55.283   4.1380  899.681  130.957  872.068  196.973  921.555  175.314   54.456   6.2629   56.109   5.4101 -1.652237 8.276005 
1 1 1    2    6  -33 o   51.041   3.9104  764.683  114.864  780.521  156.990  746.436  168.506   51.646   5.2632   50.437   5.7847 1.209290 7.820746 
1 1 1    2    7  -33 o  121.660   2.5904  4300.54  181.860  4355.36  263.353  4250.58  251.438  122.387   3.7258  120.933   3.6000 1.453545 5.180872 
1 1 1    2    8  -33 o   46.677   7.2481  685.888  188.169  684.943  247.027  687.195  290.432   46.873   9.4513   46.482   10.992 0.3917427 14.49623 
1 1 1    2    9  -33 o  151.500   2.8923  6692.49  252.673  6608.36  366.385  6768.79  348.921  150.549   4.2138  152.450   3.9629 -1.900879 5.784529 
1 1 1    2   10  -33 o   22.842   7.3019 -141.2328  190.335   10.670  340.090 -210.5109  229.673   27.282   11.789   18.402   8.6185 8.880404 14.60374 
1 1 1    2   11  -33 o   63.911   6.4162  1307.26  195.077  1141.55  380.925  1366.17  227.119   59.729   11.459   68.094   5.7751 -8.365429 12.83240 
1 1 1    2   12  -33 o   26.716   6.7627  188.005  135.080  254.384  188.288  117.609  193.899   29.214   9.6251   24.219   9.5023 4.995213 13.52537 
1 1 1    2   13  -33 o   42.318   5.7933  551.129  135.115  516.010  176.898  600.308  209.333   40.812   7.7891   43.824   8.5778 -3.011139 11.58657 
1 1 1    2   14  -33 o   81.876   3.0011  1961.32  141.111  1955.66  189.662  1968.34  211.192   81.801   4.0145   81.951   4.4621 -0.1494751 6.002231 
1 1 1    2   15  -33 o  203.663   2.2223 12028.51  224.788 11984.95  258.561 12163.35  454.899  203.323   2.2019  204.002   3.8610 -0.6790924 4.444684 
1 1 1    2   16  -33 o   14.571   5.0385 -340.7951  138.424 -418.5635  220.917 -290.5264  177.614   15.020   7.3764   14.122   6.8655 0.8971939 10.07701 
1 1 1    2   17  -33 o   18.379   6.3113 -267.8771  151.932 -279.5479  169.253 -219.4533  344.759   13.735   6.6827   23.023   10.708 -9.288098 12.62258 
1 1 1    2   18  -33 o   26.966   7.7094  143.644  183.498  203.881  286.888  101.939  238.713   29.041   11.506   24.891   10.264 4.149673 15.41871 
1 1 1    2   19  -33 o  122.007   2.3483  4370.34  162.308  4436.37  210.961  4274.57  254.082  123.302   2.9624  120.712   3.6445 2.590424 4.696628 
1 1 1    2   20  -33 o   63.619   3.2500  1205.28  115.760  1217.68  147.286  1185.25  187.227   64.269   3.9680   62.969   5.1482 1.299828 6.499923 
1 1 1    2   21  -33 o   17.330   5.6881 -127.8255  135.514 -94.2647  202.857 -154.8726  182.110   18.438   8.4452   16.222   7.6221 2.215496 11.37622 
1 1 1    2   22  -33 o   32.575   6.4806  366.010  123.592  388.361  148.859  316.415  221.739   34.512   7.6674   30.639   10.450 3.873613 12.96130 
1 1 1    2   23  -33 o   87.016   3.1762  2274.12  155.753  2316.28  200.834  2210.49  246.712   88.376   3.9347   85.655   4.9872 2.721581 6.352468 
1 1 1    2   24  -33 f   28.847   7.2641  282.183  138.391  308.318  151.091  146.040  344.848   30.209   8.3709   27.484   11.874 2.725140 14.52811 
1 1 1    2   25  -33 o   13.725   4.8465 -447.0016  144.294 -456.8769  180.762 -429.6570  239.561   12.149   6.0830   15.301   7.5468 -3.151487 9.693096 
1 1 1    2   26  -33 o   17.231   5.5996 -82.1751  128.075 -120.8019  181.725 -44.0534  180.533   16.488   7.7041   17.974   8.1284 -1.485817 11.19928 
1 1 1    2   27  -33 o   67.172   4.4441  1316.52  140.756  1244.98  157.230  1605.23  315.868   64.392   4.2278   69.952   7.8184 -5.560051 8.888279 
1 1 1    2   28  -33 o   15.351   5.3711 -434.7156  173.089 -448.4955  266.723 -424.6906  227.499   16.081   7.9375   14.622   7.2381 1.459092 10.74220 
1 1 1    2   29  -33 o   38.559   6.1647  533.113  139.239  681.079  194.152  376.419  199.797   45.451   7.3962   31.666   9.8645 13.78491 12.32936 
1 1 1    2   30  -33 o   17.428   5.8402 -150.1619  156.479 -135.5691  231.350 -162.4673  212.446   18.020   8.5050   16.836   8.0060 1.184076 11.68038 
1 1 1    2   31  -33 o   31.827   6.8031  373.607  127.937  333.857  153.393  464.455  231.897   30.145   8.4634   33.509   10.654 -3.363491 13.60615 
1 1 1    2    0  -34 o  137.456   2.7464  5478.12  213.011  5419.05  273.805  5568.68  339.022  136.611   3.4754  138.300   4.2535 -0.000000 0.000000 
1 1 1    2    1  -34 o   24.653   6.7861  123.822  137.824  148.128  210.672  105.635  182.232   25.902   9.9760   23.403   9.2025 2.499340 13.57230 
1 1 1    2    2  -34 o   77.381   3.0871  1748.85  137.926  1693.20  194.067  1805.66  196.062   76.127   4.4139   78.634   4.3171 -2.507195 6.174173 
1 1 1    2    3  -34 o   64.031   5.2976  1070.18  154.764  1496.29  376.827  983.719  169.740   70.152   9.3008   57.911   5.0750 12.24009 10.59529 
1 1 1    2    4  -34 o  170.098   2.2685  8365.82  202.011  8307.43  239.229  8510.89  377.115  169.296   2.4467  170.901   3.8207 -1.604385 4.536983 
1 1 1    2    5  -34 o   55.084   5.4729  982.604  156.907  1202.29  205.260  673.743  243.379   63.896   5.5622   46.272   9.4272 17.62386 10.94576 
1 1 1    2    6  -34 o   17.746   5.9414 -305.6431  161.505 -461.3845  213.298 -96.3786  247.248   14.268   7.0530   21.225   9.5634 -6.956552 11.88289 
1 1 1    2    7  -34 o   26.794   6.8122  192.222  133.665  173.909  178.520  215.588  201.649   25.683   9.3227   27.906   9.9355 -2.223251 13.62450 
1 1 1    2    8  -34 o   29.812   7.7345  225.357  148.178  264.202  334.824  215.896  165.241   32.556   12.566   27.068   9.0215 5.488203 15.46906 
1 1 1    2    9  -34 o   58.305   4.9870  1022.47  167.111  1110.22  233.129  929.732  239.669   61.015   6.6157   55.596   7.4642 5.419357 9.974056 
1 1 1    2   10  -34 o   81.363   3.2128  1945.78  148.392  1959.85  193.336  1925.61  231.498   81.845   4.0901   80.881   4.9558 0.9640427 6.425683 
1 1 1    2   11  -34 o   28.762   6.7863  255.392  134.500  312.178  164.196  139.578  234.488   31.391   8.7363   26.134   10.387 5.256702 13.57256 
1 1 1    2   12  -34 o   18.784   6.0934 -105.8062  139.562 -100.3381  247.208 -108.3643  169.084   20.912   9.4796   16.655   7.6587 4.257107 12.18681 
1 1 1    2   13  -34 o   15.487   5.2647 -260.3481  137.046 -265.6460  186.097 -254.0704  202.573   14.937   7.2051   16.036   7.6783 -1.099088 10.52943 
1 1 1    2   14  -34 o   75.624   3.3576  1679.13  140.944  1650.97  175.913  1729.60  235.543   74.976   4.0625   76.273   5.3470 -1.297478 6.715266 
1 1 1    2   15  -34 o   57.372   6.3982  1081.31  186.468  958.620  330.835  1138.43  225.741   53.336   11.101   61.408   6.3651 -8.071541 12.79644 
1 1 1    2   16  -34 f   72.691   2.6673  1543.22  111.052  1286.29  151.337  1842.98  163.466   66.109   3.9637   79.273   3.5704 -13.16368 5.334648 
1 1 1    2   17  -34 o   57.310   3.5666  962.916  116.677  1195.47  177.702  786.685  154.692   63.352   4.8568   51.269   5.2243 12.08332 7.133144 
1 1 1    2   18  -34 o   43.551   6.7762  687.798  171.248  380.521  269.501  895.882  221.777   33.360   11.516   53.742   7.1452 -20.38266 13.55233 
1 1 1    2   19  -34 o   35.280   5.8977  410.631  118.442  462.109  171.926  364.129  163.405   37.493   8.1706   33.068   8.5072 4.425262 11.79541 
1 1 1    2   20  -34 o  126.335   1.9747  4675.55  137.009  4651.19  232.550  4688.50  169.562  125.824   3.2001  126.845   2.3146 -1.021301 3.949436 
1 1 1    2   21  -34 o   19.582   6.3056 -117.3216  162.789 -280.4431  226.242   57.793  234.412   16.430   7.9298   22.735   9.8062 -6.305328 12.61118 
1 1 1    2   22  -34 o   30.290   6.9430  333.297  139.695  196.516  273.782  381.441  162.430   27.050   11.054   33.530   8.4042 -6.479998 13.88599 
1 1 1    2   23  -34 o   41.316   5.2970  556.960  123.038  627.353  174.390  487.190  173.617   44.581   6.7731   38.051   8.1460 6.529301 10.59398 
1 1 1    2   24  -34 f   45.641   4.9868  614.553  123.135  488.120  149.282  883.680  217.799   38.766   6.9216   52.516   7.1809 -13.75048 9.973691 
1 1 1    2   25  -34 o   42.692   5.5239  609.016  131.811  727.564  187.000  491.954  185.824   47.787   6.7756   37.597   8.7261 10.18993 11.04779 
1 1 1    2   26  -34 o   78.982   3.3261  1863.02  148.853  2073.84  239.096  1729.60  190.210   82.276   5.0317   75.687   4.3514 6.588226 6.652247 
1 1 1    2   27  -34 o   64.154   5.4842  1275.91  173.602  1186.53  197.486  1579.83  364.170   61.687   5.5432   66.621   9.4647 -4.934437 10.96845 
1 1 1    2   28  -34 o   50.696   5.2572  854.772  150.865  840.303  195.139  876.271  237.858   50.857   6.6437   50.536   8.1496 0.3213005 10.51446 
1 1 1    2   29  -34 o   20.166   6.7751 -160.1235  181.954 -269.1920  213.182  132.522  349.198   15.300   7.4566   25.032   11.314 -9.731867 13.55016 
1 1 1    2    0  -35 o   15.764   7.5716 -119.9638  195.123 -70.4231  328.938 -146.8599  242.370   17.738   11.825   13.790   9.4596 -0.000000 0.000000 
1 1 1    2    1  -35 o   78.337   3.5410  1812.37  159.872  1890.43  222.478  1729.03  229.890   80.147   4.8063   76.526   5.2014 3.620689 7.082067 
1 1 1    2    2  -35 o   13.436   4.6443 -305.5548  119.573 -332.0860  169.546 -279.2999  168.661   13.123   6.4485   13.749   6.6854 -0.6255674 9.288564 
1 1 1    2    3  -35 o  130.664   2.9672  5004.30  214.746  5005.92  268.322  5001.41  358.174  130.967   3.5474  130.361   4.7573 0.6066284 5.934307 
1 1 1    2    4  -35 o   33.231   6.5551  373.867  137.525  190.175  229.959  476.144  171.592   27.511   10.464   38.951   7.8978 -11.44096 13.11022 
1 1 1    2    5  -35 o   20.779   6.2311   26.539  130.472 -97.4899  224.549   89.754  160.310   19.888   9.0228   21.671   8.5962 -1.783140 12.46217 
1 1 1    2    6  -35 o   13.427   6.8182 -955.3023  179.357 -930.3094  235.023 -990.1568  277.544  ?   ?    13.427   6.8182      ?      ? 
1 1 1    2    7  -35 o   28.676   7.7122   58.667  148.450 -39.9475  163.393  525.042  355.329   17.861   7.9298   39.490   13.230 -21.62900 15.42433 
1 1 1    2    8  -35 o   29.411   7.6266  239.303  183.402  368.873  223.451 -28.1786  321.052   33.694   10.422   25.129   11.138 8.565794 15.25325 
1 1 1    2    9  -35 o   59.394   4.3064  1035.48  141.020  1134.33  242.300  984.842  173.416   61.197   6.8554   57.591   5.2138 3.606567 8.612792 
1 1 1    2   10  -35 o   69.982   6.4435  1543.96  260.100  1520.34  375.148  1565.83  360.938   69.296   9.3736   70.668   8.8435 -1.371422 12.88694 
1 1 1    2   11  -35 o   59.256   4.2013  1029.79  141.242  925.488  180.409  1194.95  227.024   55.599   5.6184   62.913   6.2481 -7.314053 8.402646 
1 1 1    2   12  -35 o   17.172   5.9169 -256.7969  153.043 -191.1143  170.800 -524.3265  344.706   15.054   7.1644   19.289   9.4185 -4.234958 11.83373 
1 1 1    2   13  -35 o   64.953   3.5537  1257.82  132.840  1244.22  180.080  1274.06  196.755   64.651   4.8228   65.255   5.2207 -0.6033707 7.107404 
1 1 1    2   14  -35 o   14.596   5.1801 -565.4877  166.261 -585.4962  204.734 -526.7379  284.917   12.485   6.2815   16.708   8.2388 -4.223246 10.36028 
1 1 1    2   15  -35 o   50.908   4.5599  807.244  131.370  649.777  189.405  953.225  182.366   45.689   7.1778   56.127   5.6259 -10.43727 9.119835 
1 1 1    2   16  -35 o   38.370   6.8395  550.480  163.346  693.184  200.983  272.808  280.356   46.958   7.4108   29.782   11.498 17.17573 13.67901 
1 1 1    2   17  -35 o   54.651   4.0423  906.905  127.298  834.614  173.919  990.324  186.827   52.294   5.7586   57.008   5.6744 -4.714142 8.084536 
1 1 1    2   18  -35 o   15.422   5.4741 -429.3112  157.826 -391.0999  178.674 -564.9818  336.674   12.709   6.3127   18.135   8.9450 -5.425316 10.94823 
1 1 1    2   19  -35 f   23.341   8.9190  152.468  167.536  152.468  167.536   0.0000   0.0000   23.341   8.9190  ?   ?       ?      ? 
1 1 1    2   20  -35 o   18.307   5.8789 -49.7816  133.113 -111.3949  219.136 -13.7522  167.573   18.501   8.5823   18.113   8.0367 0.3876209 11.75773 
1 1 1    2   21  -35 o  102.576   2.5141  3122.10  148.615  3180.52  204.749  3057.04  216.052  103.691   3.4190  101.462   3.6870 2.229309 5.028242 
1 1 1    2   22  -35 o   34.614   6.5697  414.829  130.213  473.235  217.131  382.028  162.720   35.966   10.059   33.262   8.4528 2.703861 13.13936 
1 1 1    2   23  -35 o   14.339   5.1568 -405.9970  142.181 -957.1497  383.467 -318.1492  153.094   16.768   8.4567   11.911   5.9035 4.856965 10.31350 
1 1 1    2   24  -35 o   42.844   5.7852  648.649  137.899  919.044  194.195  373.613  195.854   53.889   6.2395   31.800   9.7438 22.08903 11.57040 
1 1 1    2   25  -35 o   43.618   7.5208  722.644  164.466  716.949  184.085  745.173  366.122   47.048   6.7748   40.189   13.429 6.858501 15.04153 
1 1 1    2   26  -35 f   69.191   3.3897  1479.64  134.714  1330.91  192.372  1622.76  188.710   65.496   5.0856   72.886   4.4830 -7.390205 6.779399 
1 1 1    2   27  -35 o   45.119   5.7150  722.531  143.130  622.911  210.873  807.633  194.903   40.866   9.1610   49.372   6.8352 -8.505936 11.42999 
1 1 1    2    0  -36 o  115.330   3.2467  3940.53  189.564  3831.33  365.811  3980.62  221.645  113.756   5.5989  116.904   3.2887 -0.000000 0.000000 
1 1 1    2    1  -36 o   31.767   6.3566  330.703  122.494  290.224  181.241  364.743  166.199   30.018   9.4025   33.515   8.5566 -3.497601 12.71313 
1 1 1    2    2  -36 o   47.058   7.1329  669.684  172.386  579.408  201.596  915.260  332.498   42.406   8.5269   51.709   11.437 -9.303432 14.26574 
1 1 1    2    3  -36 o   33.097   9.6898  361.641  197.064  361.641  197.064   0.0000   0.0000   33.097   9.6898  ?   ?       ?      ? 
1 1 1    2    4  -36 o   32.845   7.5580  336.359  165.814  483.094  257.556  232.491  216.694   37.575   11.100   28.115   10.261 9.460064 15.11596 
1 1 1    2    5  -36 o   21.303   6.8739 -57.8810  141.739 -74.0934  155.972   18.988  339.624   16.444   7.4834   26.162   11.533 -9.717981 13.74785 
1 1 1    2    6  -36 f   16.631   5.6706 -362.6456  164.442 -562.6396  226.618 -140.2215  238.988   13.795   6.8925   19.467   9.0065 -5.672796 11.34122 
1 1 1    2    7  -36 o   39.655   7.2173  530.081  165.373  581.910  250.330  489.946  220.286   41.233   10.487   38.078   9.9181 3.155033 14.43458 
1 1 1    2    8  -36 o   25.262   6.9765  154.901  144.051  198.902  232.302  127.411  183.617   27.095   10.464   23.429   9.2295 3.665665 13.95298 
1 1 1    2    9  -36 o   40.486   7.0926  552.913  164.449  488.195  219.497  635.721  248.287   37.833   9.9227   43.140   10.137 -5.307705 14.18514 
1 1 1    2   10  -36 o   58.758   4.3931  1055.36  148.890  1072.89  206.637  1036.43  214.720   59.360   6.0273   58.156   6.3928 1.204639 8.786207 
1 1 1    2   11  -36 o   34.433   8.3007  350.042  172.709  273.885  196.322  610.725  363.221   28.906   9.8331   39.961   13.376 -11.05446 16.60146 
1 1 1    2   12  -36 o  100.290   2.6611  2935.73  151.061  3151.58  242.135  2798.19  193.290  103.080   4.0672   97.500   3.4326 5.579865 5.322135 
1 1 1    2   13  -36 o   25.146   6.3661  196.971  116.396  133.380  205.147  227.161  141.350   23.933   9.6458   26.360   8.3108 -2.426395 12.73227 
1 1 1    2   14  -36 o   61.782   4.5034  1182.27  160.646  1220.23  228.855  1145.40  225.557   62.798   6.3100   60.766   6.4270 2.031643 9.006814 
1 1 1    2   15  -36 o   31.195   5.9572  329.464  109.968  310.149  155.009  349.034  156.033   30.246   8.5135   32.144   8.3350 -1.897804 11.91440 
1 1 1    2   16  -36 o   52.448   4.8889  853.762  145.533  792.294  186.752  948.814  232.232   50.395   6.4164   54.500   7.3780 -4.104736 9.777812 
1 1 1    2   17  -36 o   12.974   6.4736 -586.6501  125.237 -673.8760  162.251 -458.0850  196.982  ?   ?    12.974   6.4736      ?      ? 
1 1 1    2   18  -36 o   94.082   3.5228  2805.18  162.628  2447.53  318.662  2931.14  189.110   88.535   6.2321   99.629   3.2866 -11.09442 7.045591 
1 1 1    2   19  -36 o   15.339   5.2895 -295.4429  147.883 -308.1614  235.085 -287.1140  190.239   16.295   7.9164   14.384   7.0175 1.911510 10.57893 
1 1 1    2   20  -36 o   32.868   7.5534  407.032  164.156  411.767  235.947  402.590  228.533   32.994   10.770   32.743   10.594 0.2509003 15.10682 
1 1 1    2   21  -36 o   55.390   4.1873  937.889  130.626  690.998  172.392  1270.75  200.170   46.667   6.3962   64.113   5.4059 -17.44675 8.374683 
1 1 1    2   22  -36 o   71.661   3.3506  1561.14  134.202  1597.97  219.777  1539.24  169.464   71.845   5.2967   71.478   4.1050 0.3667374 6.701190 
1 1 1    2   23  -36 o   70.728   4.1937  1574.12  170.624  1470.01  229.134  1703.71  255.632   68.242   5.8137   73.213   6.0456 -4.971184 8.387392 
1 1 1    2   24  -36 o   45.457   6.0589  808.106  139.884  940.486  170.467  535.190  244.762   54.748   5.3912   36.165   10.853 18.58292 12.11788 
1 1 1    2    0  -37 o   14.257   7.1356 -338.7832  220.783 -463.5650  281.819 -140.5038  355.249   11.578   8.3487   16.937   11.574 -0.000000 0.000000 
1 1 1    2    1  -37 o   74.366   4.3141  1740.72  168.577  1827.07  204.059  1555.12  299.163   78.294   4.5128   70.438   7.3538 7.855461 8.628113 
1 1 1    2    2  -37 o   61.222   3.9825  1137.74  140.701  1102.01  200.651  1172.30  197.351   60.203   5.7708   62.242   5.4900 -2.039021 7.965071 
1 1 1    2    3  -37 o   58.135   4.5533  1055.90  149.506  946.688  228.452  1137.71  197.727   55.019   7.1894   61.251   5.5894 -6.231472 9.106543 
1 1 1    2    4  -37 o   19.911   6.0210   21.077  121.570 -27.7319  157.311   93.451  191.557   17.447   7.7617   22.376   9.2068 -4.928802 12.04195 
1 1 1    2    5  -37 o   48.568   6.2357  782.668  168.353  753.746  232.728  814.415  243.834   47.632   8.7834   49.503   8.8536 -1.870502 12.47136 
1 1 1    2    6  -37 o   16.815   5.7811 -359.3687  169.965 -199.2706  268.542 -466.3625  219.532   19.493   9.1888   14.138   7.0179 5.355174 11.56223 
1 1 1    2    7  -37 o   63.071   5.3322  1236.04  189.792  1385.01  308.592  1145.40  240.697   65.594   8.1458   60.549   6.8831 5.045231 10.66448 
1 1 1    2    8  -37 o   18.993   6.1731 -114.9016  158.092  -7.8151  222.215 -224.6519  224.962   20.842   9.2506   17.145   8.1766 3.696804 12.34627 
1 1 1    2    9  -37 f   73.913   3.8592  1626.93  156.106  1779.22  272.009  1552.15  190.622   75.877   6.2071   71.948   4.5874 3.928604 7.718301 
1 1 1    2   10  -37 o   42.586   6.8927  631.916  164.081  621.953  214.428  645.991  254.867   42.738   8.9730   42.433   10.465 0.3044167 13.78535 
1 1 1    2   11  -37 o   16.749   5.6143 -166.8327  137.129 -178.6366  170.024 -144.8639  231.953   14.933   7.1180   18.565   8.6843 -3.632619 11.22867 
1 1 1    2   12  -37 o   71.978   4.3542  1675.01  162.708  1788.92  196.772  1428.74  289.328   77.236   4.4112   66.719   7.5085 10.51691 8.708443 
1 1 1    2   13  -37 o  100.689   2.8087  3023.63  149.848  3027.44  179.642  3014.91  271.690  101.425   3.0667   99.952   4.7065 1.472992 5.617438 
1 1 1    2   14  -37 o   39.069   6.2189  508.776  129.206  577.253  231.797  477.909  155.625   40.004   10.047   38.134   7.3325 1.870533 12.43779 
1 1 1    2   15  -37 o   76.647   3.8468  1790.96  163.099  1852.30  274.060  1757.33  202.952   77.006   6.1622   76.288   4.6063 0.7182388 7.693532 
1 1 1    2   16  -37 o   62.270   4.6972  1277.02  158.182  1048.37  257.234  1416.06  200.592   56.462   7.8884   68.078   5.1018 -11.61637 9.394393 
1 1 1    2   17  -37 o   26.363   7.2281  223.764  154.617  237.707  192.429  198.361  259.732   26.515   9.6708   26.210   10.745 0.3051395 14.45623 
1 1 1    2   18  -37 o   40.582   5.4534  565.229  118.796  497.560  196.290  604.339  149.229   37.232   9.1852   43.933   5.8814 -6.700729 10.90685 
1 1 1    2   19  -37 o   32.555   6.8951  374.696  146.157  224.939  192.927  576.418  223.911   25.758   9.6314   39.352   9.8694 -13.59401 13.79017 
1 1 1    2   20  -37 o   26.046   7.0832  211.124  158.929   66.387  222.252  362.582  227.353   21.586   9.4271   30.506   10.574 -8.920368 14.16636 
1 1 1    2   21  -37 o   55.970   4.2991  1010.43  137.109  855.411  196.589  1157.25  191.322   51.221   6.6455   60.719   5.4558 -9.497543 8.598131 
1 1 1    2   22  -37 o   20.261   6.3762   24.285  143.073  126.500  243.078 -29.8974  176.977   23.037   9.9610   17.485   7.9624 5.552614 12.75236 
1 1 1    2    0  -38 o   38.263   10.962  681.011  246.002  864.524  361.433  522.624  335.780   44.781   15.499   31.745   15.506 -0.000000 0.000000 
1 1 1    2    1  -38 o   15.931   5.1806 -121.4330  113.273 -241.3716  155.832   12.932  164.938   13.143   6.3986   18.719   8.1495 -5.576670 10.36130 
1 1 1    2    2  -38 o   25.179   6.8355  169.998  149.854   13.713  228.161  288.560  198.726   21.372   9.4352   28.987   9.8930 -7.614592 13.67092 
1 1 1    2    3  -38 o   38.599   5.7047  482.319  126.000  324.184  167.723  687.179  190.900   30.664   8.9285   46.534   7.1031 -15.87049 11.40930 
1 1 1    2    4  -38 o   28.926   7.7710  250.664  151.607  229.582  168.529  340.115  347.145   26.387   9.1065   31.466   12.595 -5.079006 15.54204 
1 1 1    2    5  -38 o   42.273   6.4616  616.872  157.471  791.898  224.475  447.282  220.962   49.403   7.8673   35.143   10.252 14.26035 12.92313 
1 1 1    2    6  -38 o   84.236   3.1810  2126.88  153.386  2177.74  233.928  2088.51  203.154   84.911   4.7702   83.561   4.2096 1.350426 6.361999 
1 1 1    2    7  -38 o   48.746   6.4407  910.143  154.636  585.628  283.124  1048.11  184.604   39.009   11.664   58.484   5.4654 -19.47445 12.88135 
1 1 1    2    8  -38 o   53.292   8.7521  950.518  269.379   0.0000   0.0000  950.518  269.379  ?   ?    53.292   8.7521      ?      ? 
1 1 1    2    9  -38 o   38.853   8.2980  563.207  185.710  538.188  214.071  639.308  373.357   38.900   9.5894   38.806   13.545 0.9427643E-01 16.59603 
1 1 1    2   10  -38 o   48.186   7.6157  731.132  179.144  615.443  202.303  1151.43  385.599   42.444   8.5484   53.928   12.606 -11.48404 15.23147 
1 1 1    2   11  -38 o   20.502   6.3559   19.679  144.226 -28.2458  196.073   76.180  212.896   18.949   8.5293   22.055   9.4256 -3.105259 12.71186 
1 1 1    2   12  -38 o   33.081   6.7471  391.611  137.033  469.892  201.027  323.664  187.289   36.120   9.5070   30.043   9.5766 6.076994 13.49421 
1 1 1    2   13  -38 o   47.745   6.2541  806.914  159.635  866.670  201.098  705.105  262.490   52.120   6.6807   43.370   10.575 8.749302 12.50826 
1 1 1    2   14  -38 o   42.555   8.5953  730.012  216.668  688.669  272.290  801.375  357.739   42.174   11.047   42.935   13.171 -0.7616844 17.19056 
1 1 1    2   15  -38 o   23.724   7.1022  128.397  169.302   46.501  272.625  179.806  216.000   22.809   10.177   24.638   9.9090 -1.829611 14.20439 
1 1 1    2   16  -38 o   46.592   6.6336  789.700  163.161  807.151  198.284  753.107  287.135   49.813   6.8922   43.370   11.337 6.443428 13.26722 
1 1 1    2   17  -38 o   32.097   6.1557  384.985  121.170  469.185  161.115  275.351  183.847   36.804   7.8209   27.390   9.5081 9.414076 12.31135 
1 1 1    2   18  -38 o   22.793   6.3119  148.204  132.431  254.388  168.181 -25.0791  214.845   26.398   9.0979   19.187   8.7515 7.210474 12.62382 
1 1 1    2   19  -38 o   14.485   4.9951 -269.9188  138.033 -166.4805  182.712 -407.4471  210.680   15.254   7.3004   13.716   6.8196 1.537821 9.990155 
1 1 1    2    0  -39 o   10.355   7.4298 -307.4303  210.978 -307.4303  210.978   0.0000   0.0000   10.355   7.4298   10.355   7.4298 -0.000000 0.000000 
1 1 1    2    1  -39 o   73.230   3.4872  1636.90  143.266  1613.48  230.184  1651.71  183.040   72.331   5.5102   74.128   4.2754 -1.796593 6.974315 
1 1 1    2    2  -39 o   13.988   4.9884 -582.4713  159.632 -377.2930  262.132 -703.4142  201.254   16.664   8.1531   11.311   5.7502 5.353162 9.976889 
1 1 1    2    3  -39 o   36.410   7.5504  493.269  167.085  555.112  260.849  450.241  217.581   37.938   11.160   34.881   10.173 3.056683 15.10078 
1 1 1    2    4  -39 o   28.836   7.7294  289.345  176.995  251.298  242.255  332.910  259.224   27.520   10.670   30.151   11.186 -2.630760 15.45876 
1 1 1    2    5  -39 o  108.978   3.7939  3611.90  218.962  3772.30  400.343  3543.43  261.549  109.339   6.3397  108.617   4.1694 0.7220078 7.587868 
1 1 1    2    6  -39 o   31.729   6.8728  371.912  139.907  307.371  212.501  421.295  185.878   29.163   10.217   34.295   9.1958 -5.132534 13.74564 
1 1 1    2    7  -39 o   56.831   7.3715  1270.91  177.860  1004.20  401.609  1335.99  198.374   47.742   13.792   65.919   5.2106 -18.17783 14.74308 
1 1 1    2    8  -39 o   63.779   5.0491  1247.45  185.986   0.0000   0.0000  1247.45  185.986  ?   ?    63.779   5.0491      ?      ? 
1 1 1    2    9  -39 o   44.565   6.1746  686.059  152.066  625.585  200.415  768.117  233.454   42.452   8.4711   46.678   8.9858 -4.226742 12.34926 
1 1 1    2   10  -39 o   38.279   6.5661  608.535  147.368  315.629  287.595  712.827  171.610   29.204   11.536   47.354   6.2749 -18.14904 13.13226 
1 1 1    2   11  -39 o   72.279   4.1340  1604.17  161.648  1766.23  287.655  1529.37  195.423   73.894   6.7403   70.664   4.7885 3.230377 8.268064 
1 1 1    2   12  -39 o   24.492   7.6522  109.290  178.273   80.377  200.217  219.927  391.651   21.261   9.1149   27.723   12.294 -6.461533 15.30441 
1 1 1    2   13  -39 o   29.275   7.3793  344.039  154.129  382.539  167.765  135.678  390.284   32.389   8.7581   26.160   11.879 6.228483 14.75851 
1 1 1    2   14  -39 o   16.848   5.5131 -93.2040  128.815 -190.9886  178.134   13.978  186.497   14.740   7.0947   18.955   8.4405 -4.214302 11.02616 
1 1 1    2   15  -39 o   64.920   3.2551  1305.05  121.057  1371.27  164.249  1226.30  179.118   67.039   4.2422   62.801   4.9384 4.237484 6.510280 
1 1 1    2    0  -40 o   11.314   5.8830 -867.8643  257.974 -810.8212  383.186 -915.1517  348.884   11.958   8.7540   10.671   7.8619 -0.000000 0.000000 
1 1 1    2    1  -40 o   25.345   7.6225  156.323  152.507  134.008  165.963  277.442  386.650   21.947   8.7336   28.742   12.495 -6.795427 15.24491 
1 1 1    2    2  -40 o   95.706   3.2872  2789.36  180.849  2912.32  271.215  2690.92  242.677   97.397   4.8215   94.016   4.4693 3.381569 6.574336 
1 1 1    2    3  -40 o   35.677   6.5460  466.652  137.152  385.812  188.573  557.442  199.842   32.104   9.5013   39.250   9.0068 -7.145718 13.09193 
1 1 1    2    4  -40 o   43.792   6.5639  761.668  159.345  918.472  199.462  485.074  264.913   53.390   6.4687   34.195   11.423 19.19449 13.12783 
1 1 1    2    5  -40 o   19.991   6.4213 -12.6463  153.148 -34.6825  188.679   29.908  262.196   18.089   8.2314   21.892   9.8577 -3.803364 12.84253 
1 1 1    2    6  -40 o   35.808   7.4796  497.626  161.322  576.037  265.206  451.572  203.250   37.251   11.323   34.365   9.7753 2.886715 14.95915 
1 1 1    2    7  -40 o   27.605   7.7641  284.693  185.670  303.045  251.761  262.810  274.920   28.111   10.883   27.100   11.076 1.010584 15.52826 
1 1 1    2    8  -40 o   31.827   7.3011  418.633  157.352  467.355  191.128  316.146  277.204   35.279   9.2624   28.375   11.289 6.904274 14.60215 
1 1 1    2    9  -40 o   42.575   8.0188  623.985  172.093  504.269  193.253  1082.62  378.254   36.701   9.1493   48.449   13.172 -11.74852 16.03754 
1 1 1    3    0    0 -   5.0959   2.5499 -65.7477   32.151 -27.1040   41.124 -126.4968   51.562   5.7304   3.9218   4.4613   3.2601 -0.000000 0.000000 
1 1 1    3    1    0 o  141.818   1.2205  5809.80   99.922  5889.52  142.372  5732.41  140.273  142.777   1.7271  140.859   1.7249 -0.000000 0.000000 
1 1 1    3    2    0 o  186.925   1.4304 10092.04  154.401   0.0000   0.0000 10092.04  154.401  186.925   1.4304  186.925   1.4304 -0.000000 0.000000 
1 1 1    3    3    0 o   83.050   1.0410  1972.74   48.201  1915.61   60.360  2073.30   80.078   81.416   1.2844   84.684   1.6387 -0.000000 0.000000 
1 1 1    3    4    0 o  396.219   1.7296 45345.37  395.734 45887.45  559.229 44801.64  560.076  398.592   2.4295  393.846   2.4625 -0.000000 0.000000 
1 1 1    3    5    0 o  612.323   3.2032 108510.10  1067.78 107745.50  1846.29 108894.30  1308.88  610.654   5.2359  613.991   3.6914 -0.000000 0.000000 
1 1 1    3    6    0 o  112.680   1.2026  3669.12   78.220  3660.77  110.510  3677.52  110.730  112.551   1.7009  112.809   1.7004 -0.000000 0.000000 
1 1 1    3    7    0 o  647.612   2.7315 121150.00  1021.54 121046.40  1449.18 121252.30  1440.21  647.336   3.8765  647.888   3.8492 -0.000000 0.000000 
1 1 1    3    8    0 o   34.799   2.3382  354.438   46.507   0.0000   0.0000  354.438   46.507   34.799   2.3382   34.799   2.3382 -0.000000 0.000000 
1 1 1    3    9    0 o  869.309   4.4670 218374.30  2108.13 218421.30  3672.04 218351.20  2574.71  869.269   7.3154  869.349   5.1284 -0.000000 0.000000 
1 1 1    3   10    0 o  570.728   3.4376 94120.42  1132.82 93686.74  1610.42 94545.20  1593.80  569.424   4.8977  572.032   4.8250 -0.000000 0.000000 
1 1 1    3   11    0 o  816.664   4.8375 192785.80  2281.05 191212.59  3241.96 194328.20  3210.06  813.357   6.9026  819.971   6.7795 -0.000000 0.000000 
1 1 1    3   12    0 o  241.981   1.6896 16918.15  236.043 17173.37  332.566 16659.06  335.078  243.822   2.3622  240.140   2.4165 -0.000000 0.000000 
1 1 1    3   13    0 o  244.722   1.7173 17316.16  242.332 18351.19  342.697 16280.97  342.721  252.047   2.3547  237.396   2.5003 -0.000000 0.000000 
1 1 1    3   14    0 o  144.231   1.3852  6020.65  114.965  6613.70  163.222  5436.78  161.955  151.299   1.8686  137.163   2.0454 -0.000000 0.000000 
1 1 1    3   15    0 o  468.822   2.9657 63544.03  801.601 62583.19  1161.85 64416.88  1107.38  465.430   4.3231  472.213   4.0611 -0.000000 0.000000 
1 1 1    3   16    0 o  1025.14   6.1639 303810.81  3646.30 301817.81  5246.00 305673.69  5071.70  1021.87   8.8904  1028.42   8.5402 -0.000000 0.000000 
1 1 1    3   17    0 o  360.131   2.3368 37480.35  485.510 37072.30  699.540 37859.57  674.381  358.236   3.3818  362.026   3.2259 -0.000000 0.000000 
1 1 1    3   18    0 o  1038.95   6.2867 311922.59  3766.03 312773.31  5481.14 311161.81  5183.27  1040.27   9.1247  1037.63   8.6506 -0.000000 0.000000 
1 1 1    3   19    0 o  543.818   4.6493 85434.55  1460.02   0.0000   0.0000 85434.55  1460.02  543.818   4.6493  543.818   4.6493 -0.000000 0.000000 
1 1 1    3   20    0 o  514.739   4.4232 76541.78  1314.72   0.0000   0.0000 76541.78  1314.72  514.739   4.4232  514.739   4.4232 -0.000000 0.000000 
1 1 1    3   21    0 o   32.828   8.0532  362.165  132.230   0.0000   0.0000  362.165  132.230   32.828   8.0532   32.828   8.0532 -0.000000 0.000000 
1 1 1    3   22    0 f  139.469   2.3906  5622.38  192.437   0.0000   0.0000  5622.38  192.437  139.469   2.3906  139.469   2.3906 -0.000000 0.000000 
1 1 1    3   23    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   24    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   25    0 o  377.287   2.4546 41114.91  534.807   0.0000   0.0000 41114.91  534.807  377.287   2.4546  377.287   2.4546 -0.000000 0.000000 
1 1 1    3   26    0 o  282.473   2.0276 23047.01  330.742   0.0000   0.0000 23047.01  330.742  282.473   2.0276  282.473   2.0276 -0.000000 0.000000 
1 1 1    3   27    0 o  107.338   2.0643  3331.11  127.864   0.0000   0.0000  3331.11  127.864  107.338   2.0643  107.338   2.0643 -0.000000 0.000000 
1 1 1    3   28    0 o  168.635   1.7269  8215.41  168.148   0.0000   0.0000  8215.41  168.148  168.635   1.7269  168.635   1.7269 -0.000000 0.000000 
1 1 1    3   29    0 o  150.934   1.7990  6582.13  156.775   0.0000   0.0000  6582.13  156.775  150.934   1.7990  150.934   1.7990 -0.000000 0.000000 
1 1 1    3   30    0 f  202.507   1.7223 11846.39  201.402   0.0000   0.0000 11846.39  201.402  202.507   1.7223  202.507   1.7223 -0.000000 0.000000 
1 1 1    3   31    0 o  363.377   2.4173 38147.19  507.252   0.0000   0.0000 38147.19  507.252  363.377   2.4173  363.377   2.4173 -0.000000 0.000000 
1 1 1    3   32    0 o  191.619   1.7405 10607.76  192.587   0.0000   0.0000 10607.76  192.587  191.619   1.7405  191.619   1.7405 -0.000000 0.000000 
1 1 1    3   33    0 o   98.242   2.0639  2791.65  116.985   0.0000   0.0000  2791.65  116.985   98.242   2.0639   98.242   2.0639 -0.000000 0.000000 
1 1 1    3   34    0 o  273.931   1.9947 21679.78  315.539   0.0000   0.0000 21679.78  315.539  273.931   1.9947  273.931   1.9947 -0.000000 0.000000 
1 1 1    3   35    0 o   47.662   4.1821  672.055  113.081   0.0000   0.0000  672.055  113.081   47.662   4.1821   47.662   4.1821 -0.000000 0.000000 
1 1 1    3   36    0 o  123.424   1.9982  4404.15  142.351   0.0000   0.0000  4404.15  142.351  123.424   1.9982  123.424   1.9982 -0.000000 0.000000 
1 1 1    3   37    0 o  180.805   1.8128  9446.02  189.255   0.0000   0.0000  9446.02  189.255  180.805   1.8128  180.805   1.8128 -0.000000 0.000000 
1 1 1    3   38    0 o   42.498   5.1042  545.060  120.496   0.0000   0.0000  545.060  120.496   42.498   5.1042   42.498   5.1042 -0.000000 0.000000 
1 1 1    3   39    0 o   78.059   2.8969  1768.52  130.189   0.0000   0.0000  1768.52  130.189   78.059   2.8969   78.059   2.8969 -0.000000 0.000000 
1 1 1    3   40    0 o  172.979   2.5239  8653.40  252.026   0.0000   0.0000  8653.40  252.026  172.979   2.5239  172.979   2.5239 -0.000000 0.000000 
1 1 1    3   41    0 o  174.635   1.8704  8814.62  188.594   0.0000   0.0000  8814.62  188.594  174.635   1.8704  174.635   1.8704 -0.000000 0.000000 
1 1 1    3   42    0 o  233.173   2.0049 15715.79  269.947   0.0000   0.0000 15715.79  269.947  233.173   2.0049  233.173   2.0049 -0.000000 0.000000 
1 1 1    3   43    0 o   96.700   3.3797  2717.25  188.227   0.0000   0.0000  2717.25  188.227   96.700   3.3797   96.700   3.3797 -0.000000 0.000000 
1 1 1    3   44    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   45    0 o  135.787   3.2484  5354.54  254.422   0.0000   0.0000  5354.54  254.422  135.787   3.2484  135.787   3.2484 -0.000000 0.000000 
1 1 1    3   46    0 o   18.004   10.542  123.015  183.640   0.0000   0.0000  123.015  183.640   18.004   10.542   18.004   10.542 -0.000000 0.000000 
1 1 1    3   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48    0 o   49.019   7.2960  763.906  193.084   0.0000   0.0000  763.906  193.084   49.019   7.2960   49.019   7.2960 -0.000000 0.000000 
1 1 1    3   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51    0 o   36.435   10.991  516.003  201.684   0.0000   0.0000  516.003  201.684   36.435   10.991   36.435   10.991 -0.000000 0.000000 
1 1 1    3   52    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0   -1 o  325.542   2.0662 30614.10  388.407 30579.68  549.367 30648.50  549.213  325.359   2.9241  325.725   2.9200 -0.000000 0.000000 
1 1 1    3    1   -1 o  137.586   0.8185  5469.04   63.703  5454.62  100.749  5478.65   82.225  137.434   1.2693  137.738   1.0336 -0.3032837 1.636915 
1 1 1    3    2   -1 o  340.955   1.1652 33500.98  227.346 33059.03  300.848 34089.34  347.128  338.341   1.5396  343.569   1.7494 -5.228851 2.330402 
1 1 1    3    3   -1 o   24.555   1.7227  169.107   23.931  199.118   38.906  150.844   30.351   26.257   2.5656   22.854   2.2995 3.402971 3.445322 
1 1 1    3    4   -1 o  246.112   0.9015 17499.09  126.784 17541.36  167.671 17442.65  193.742  246.460   1.1779  245.764   1.3650 0.6960144 1.802965 
1 1 1    3    5   -1 o  593.160   1.7752 101617.90  608.124 101443.90  858.809 101792.90  861.231  592.651   2.5091  593.669   2.5118 -1.018311 3.550309 
1 1 1    3    6   -1 o  914.049   3.8151 241463.09  2013.93 242304.09  2836.82 240608.41  2859.56  915.658   5.3643  912.440   5.4264 3.217896 7.630292 
1 1 1    3    7   -1 o  166.582   0.8592  8004.76   81.177  7966.85  105.186  8060.58  127.652  166.096   1.0965  167.069   1.3230 -0.9729614 1.718306 
1 1 1    3    8   -1 o  796.811   2.7063 183426.59  1245.37 184192.59  1754.80 182649.30  1767.71  798.489   3.8052  795.133   3.8493 3.356079 5.412632 
1 1 1    3    9   -1 o  321.436   1.4880 29839.90  276.229 29807.52  389.244 29872.75  392.064  321.260   2.0979  321.612   2.1108 -0.3511047 2.975974 
1 1 1    3   10   -1 o  535.108   2.1012 82577.00  637.255 83390.54  1005.16 82030.24  824.025  537.295   3.2392  532.921   2.6773 4.373779 4.202389 
1 1 1    3   11   -1 o  257.388   1.1426 19120.09  166.770 19195.85  262.275 19068.67  216.077  257.814   1.7614  256.962   1.4560 0.8517456 2.285282 
1 1 1    3   12   -1 o  406.856   1.6571 47776.59  380.769 47959.48  606.114 47657.34  489.394  407.493   2.5754  406.220   2.0860 1.272736 3.314239 
1 1 1    3   13   -1 o  461.317   2.4581 61572.33  621.131 61787.29  766.124 61160.05  1061.04  462.516   2.8681  460.117   3.9928 2.398621 4.916110 
1 1 1    3   14   -1 o  473.830   2.0962 64847.04  573.634 64613.13  811.884 65080.18  810.600  472.976   2.9721  474.683   2.9568 -1.706848 4.192385 
1 1 1    3   15   -1 o  240.038   1.2111 16636.43  167.884 16841.52  239.639 16438.75  235.268  241.491   1.7182  238.586   1.7074 2.904999 2.422268 
1 1 1    3   16   -1 o  207.859   1.5749 12477.00  189.065   0.0000   0.0000 12477.00  189.065  ?   ?   207.859   1.5749      ?      ? 
1 1 1    3   17   -1 o  162.353   1.4894  7613.59  139.618  7539.01  199.200  7685.60  195.745  161.571   2.1347  163.135   2.0776 -1.563553 2.978829 
1 1 1    3   18   -1 o  311.632   2.0027 28046.75  360.436 27889.33  508.030 28206.29  511.455  310.752   2.8307  312.513   2.8337 -1.760864 4.005321 
1 1 1    3   19   -1 o  643.687   3.1632 119934.30  1031.13 119171.10  2020.38 120203.10  1199.04  642.250   5.4468  645.125   3.2181 -2.875488 6.326475 
1 1 1    3   20   -1 o  352.629   1.9786 35724.87  381.946 36499.32  657.823 35331.00  469.121  355.489   3.2040  349.768   2.3223 5.721100 3.957140 
1 1 1    3   21   -1 o  168.712   1.4300  8162.12  126.229  8356.94  236.454  8084.46  149.281  170.107   2.4068  167.316   1.5448 2.790649 2.859919 
1 1 1    3   22   -1 o  537.961   2.7842 83585.38  865.051   0.0000   0.0000 83585.38  865.051  ?   ?   537.961   2.7842      ?      ? 
1 1 1    3   23   -1 o  582.629   5.1306 98089.70  1726.42   0.0000   0.0000 98089.70  1726.42  ?   ?   582.629   5.1306      ?      ? 
1 1 1    3   24   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   25   -1 o  419.875   2.7572 50922.54  668.609   0.0000   0.0000 50922.54  668.609  ?   ?   419.875   2.7572      ?      ? 
1 1 1    3   26   -1 o  229.843   1.6138 15158.86  202.064 15556.91  351.877 14963.02  246.815  232.071   2.6253  227.615   1.8775 4.456772 3.227610 
1 1 1    3   27   -1 o  118.213   1.8931  4036.14  129.247   0.0000   0.0000  4036.14  129.247  ?   ?   118.213   1.8931      ?      ? 
1 1 1    3   28   -1 o  133.381   1.6181  5060.95  114.399  5334.76  211.003  4946.95  136.145  135.889   2.6886  130.872   1.8012 5.016357 3.236167 
1 1 1    3   29   -1 o  271.478   2.0378 21289.10  319.509   0.0000   0.0000 21289.10  319.509  ?   ?   271.478   2.0378      ?      ? 
1 1 1    3   30   -1 o  226.259   1.7999 14787.65  235.083 14913.46  338.628 14670.60  326.612  227.186   2.5808  225.333   2.5097 1.853745 3.599891 
1 1 1    3   31   -1 o  154.220   1.7020  6881.01  151.121  6989.81  206.612  6755.85  221.609  155.536   2.3001  152.903   2.5095 2.633484 3.404090 
1 1 1    3   32   -1 o  139.695   1.7783  5637.55  143.471   0.0000   0.0000  5637.55  143.471  ?   ?   139.695   1.7783      ?      ? 
1 1 1    3   33   -1 o  194.301   1.2348 10906.96  138.570 10892.83  195.938 10921.10  195.999  194.175   1.7472  194.427   1.7455 -0.2519073 2.469680 
1 1 1    3   34   -1 o  185.920   1.2299  9986.69  132.065  9950.15  186.128 10023.73  187.414  185.578   1.7366  186.262   1.7422 -0.6846008 2.459871 
1 1 1    3   35   -1 o  161.996   1.7533  7587.19  163.986  7570.51  234.755  7603.08  229.168  161.820   2.5119  162.172   2.4468 -0.3526001 3.506600 
1 1 1    3   36   -1 o  159.119   1.5962  7390.08  136.130  7514.63  165.055  7125.12  240.732  161.266   1.7721  156.971   2.6554 4.294830 3.192432 
1 1 1    3   37   -1 o   39.999   4.1158  459.122   93.707  499.678  147.857  431.899  121.142   41.439   6.1780   38.559   5.4398 2.879963 8.231565 
1 1 1    3   38   -1 o  131.740   1.9509  5018.61  148.410  5142.65  211.643  4898.61  208.167  133.342   2.7482  130.138   2.7696 3.203796 3.901757 
1 1 1    3   39   -1 o  126.342   1.9641  4617.99  143.315  4637.65  202.221  4598.16  203.138  126.614   2.7654  126.071   2.7899 0.5421906 3.928243 
1 1 1    3   40   -1 o  206.380   1.8405 12322.25  219.357 12349.47  308.221 12294.32  312.254  206.613   2.5830  206.146   2.6227 0.4675751 3.681064 
1 1 1    3   41   -1 o  197.916   1.9681 11359.43  222.825 11493.30  296.383 11185.39  337.935  199.294   2.5750  196.538   2.9772 2.756210 3.936234 
1 1 1    3   42   -1 o   30.678   5.6001  258.954  114.155   55.525  154.268  505.157  169.714   20.562   8.3373   40.794   7.4789 -20.23249 11.20020 
1 1 1    3   43   -1 o  171.945   1.9574  8552.74  194.383   0.0000   0.0000  8552.74  194.383  ?   ?   171.945   1.9574      ?      ? 
1 1 1    3   44   -1 o   90.669   2.6528  2383.79  138.915   0.0000   0.0000  2383.79  138.915  ?   ?    90.669   2.6528      ?      ? 
1 1 1    3   45   -1 o  163.352   1.9242  7727.03  181.536   0.0000   0.0000  7727.03  181.536  ?   ?   163.352   1.9242      ?      ? 
1 1 1    3   46   -1 o   38.791   5.3996  446.858  120.971   0.0000   0.0000  446.858  120.971  ?   ?    38.791   5.3996      ?      ? 
1 1 1    3   47   -1 o   89.552   4.2309  2368.19  218.822   0.0000   0.0000  2368.19  218.822  ?   ?    89.552   4.2309      ?      ? 
1 1 1    3   48   -1 o   79.270   4.7153  1878.30  215.874   0.0000   0.0000  1878.30  215.874  ?   ?    79.270   4.7153      ?      ? 
1 1 1    3   49   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51   -1 o   92.257   4.3358  2566.61  231.021   0.0000   0.0000  2566.61  231.021  ?   ?    92.257   4.3358      ?      ? 
1 1 1    3   52   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0   -2 o  210.208   1.0665 12763.12  129.455 12685.46  183.801 12839.57  182.362  209.573   1.5187  210.843   1.4977 -0.000000 0.000000 
1 1 1    3    1   -2 o  201.929   0.9111 11744.87  100.297 11866.95  173.763 11683.88  122.823  202.712   1.4842  201.145   1.0573 1.566940 1.822271 
1 1 1    3    2   -2 o  308.036   0.9954 27402.14  177.075 27603.72  250.556 27200.99  250.287  309.168   1.4032  306.905   1.4120 2.263672 1.990702 
1 1 1    3    3   -2 o  376.822   1.2681 41027.56  273.129 41148.28  361.476 40866.95  416.967  377.470   1.6581  376.173   1.9192 1.297211 2.536292 
1 1 1    3    4   -2 o  102.354   0.8763  3024.75   51.780  3046.14   74.412  3004.67   72.100  102.704   1.2545  102.003   1.2239 0.7012634 1.752610 
1 1 1    3    5   -2 o  259.363   1.3994 19479.92  181.363 19532.28  209.464 19323.10  362.493  260.068   1.3946  258.658   2.4265 1.410034 2.798734 
1 1 1    3    6   -2 o  417.324   1.3902 50300.88  331.783 50320.86  439.549 50274.40  505.825  417.423   1.8232  417.224   2.0992 0.1989441 2.780414 
1 1 1    3    7   -2 o  351.395   1.3673 35668.89  259.797 35637.86  456.057 35683.80  316.100  351.275   2.2480  351.514   1.5570 -0.2393188 2.734522 
1 1 1    3    8   -2 o  332.114   1.2373 31854.25  237.331 31866.78  335.507 31841.70  335.766  332.179   1.7488  332.048   1.7509 0.1307983 2.474639 
1 1 1    3    9   -2 o   97.078   0.9473  2724.91   53.022  2789.79   73.422  2654.20   76.650   98.287   1.2934   95.869   1.3844 2.418533 1.894578 
1 1 1    3   10   -2 o  274.233   1.5900 21733.20  236.700 21681.44  412.190 21758.67  289.125  273.982   2.6049  274.484   1.8238 -0.5017395 3.179904 
1 1 1    3   11   -2 o  404.819   1.4731 47329.42  344.404 47342.68  489.416 47316.40  484.738  404.875   2.0930  404.763   2.0736 0.1119385 2.946258 
1 1 1    3   12   -2 o  404.969   1.6397 47403.34  376.295 47168.13  591.638 47563.11  487.636  404.118   2.5349  405.819   2.0806 -1.700073 3.279400 
1 1 1    3   13   -2 o  840.051   3.2444 204298.50  1542.31 201810.70  2430.62 205975.30  1995.51  835.717   5.0358  844.385   4.0919 -8.667969 6.488721 
1 1 1    3   14   -2 o  443.843   1.6915 56999.12  410.206 56569.73  704.242 57219.62  504.654  442.566   2.7552  445.119   1.9631 -2.553192 3.383030 
1 1 1    3   15   -2 o  472.220   2.2890 64579.19  506.256 64112.19  1109.44 64702.02  568.943  471.110   4.0775  473.329   2.0812 -2.218506 4.577956 
1 1 1    3   16   -2 o  452.389   1.8248 59124.52  467.986 59006.37  735.452 59204.91  606.654  452.004   2.8173  452.774   2.3199 -0.7696533 3.649522 
1 1 1    3   17   -2 o  291.519   1.1962 24471.33  190.321 24757.13  329.073 24327.69  233.298  292.792   1.9460  290.246   1.3917 2.546204 2.392479 
1 1 1    3   18   -2 o  601.652   2.2450 104697.40  735.581 104097.40  1271.82 104999.00  901.697  600.338   3.6681  602.965   2.5893 -2.626282 4.489943 
1 1 1    3   19   -2 o  434.426   2.1086 54280.61  429.119 54893.21  944.533 54121.28  481.702  435.945   3.7515  432.906   1.9266 3.039673 4.217269 
1 1 1    3   20   -2 f  420.607   2.3090 51143.95  531.703 50946.41  909.893 51246.39  655.213  419.977   3.7513  421.237   2.6932 -1.259644 4.617949 
1 1 1    3   21   -2 o  513.385   2.7393 75886.65  770.544 76905.98  1322.07 75362.27  948.254  515.964   4.4366  510.806   3.2143 5.158386 5.478583 
1 1 1    3   22   -2 o  529.999   2.3607 81125.78  722.591   0.0000   0.0000 81125.78  722.591  ?   ?   529.999   2.3607      ?      ? 
1 1 1    3   23   -2 o  326.130   2.2080 30717.85  415.881   0.0000   0.0000 30717.85  415.881  ?   ?   326.130   2.2080      ?      ? 
1 1 1    3   24   -2 o  302.502   2.0776 26413.01  362.734 25951.85  502.278 26915.69  524.404  299.746   2.9014  305.259   2.9745 -5.513550 4.155196 
1 1 1    3   25   -2 o  474.335   4.1079 65010.36  1125.35 65010.36  1125.35   0.0000   0.0000  474.335   4.1079  ?   ?       ?      ? 
1 1 1    3   26   -2 o  395.963   2.2034 45492.04  478.645 44657.29  812.495 45935.71  592.342  393.143   3.5784  398.783   2.5719 -5.640076 4.406732 
1 1 1    3   27   -2 o  263.505   1.8746 20058.94  285.273 20292.77  403.276 19824.73  403.598  265.043   2.6345  261.967   2.6676 3.075562 3.749222 
1 1 1    3   28   -2 o  468.841   2.5191 63463.22  649.580 63730.38  1103.08 63321.39  803.713  469.539   4.0677  468.142   2.9726 1.396454 5.038136 
1 1 1    3   29   -2 o  331.534   1.5719 31754.82  300.951 31957.61  423.158 31547.27  428.103  332.606   2.2029  330.461   2.2431 2.144470 3.143873 
1 1 1    3   30   -2 o   90.534   2.2628  2363.59  117.709  2316.99  157.928  2421.83  176.557   89.537   3.0540   91.532   3.3398 -1.995529 4.525668 
1 1 1    3   31   -2 f  214.238   1.2420 13257.21  153.660 13136.94  215.880 13380.71  218.766  213.254   1.7528  215.223   1.7600 -1.969162 2.483903 
1 1 1    3   32   -2 o  368.876   2.0725 39470.36  420.195 38898.85  711.139 39776.93  520.841  366.754   3.3573  370.998   2.4308 -4.244904 4.144930 
1 1 1    3   33   -2 o  130.108   1.8745  4898.86  140.700  5061.12  196.678  4728.77  201.365  132.321   2.5736  127.895   2.7261 4.426117 3.749038 
1 1 1    3   34   -2 o  114.621   2.0602  3815.66  135.541  3972.19  184.100  3630.39  200.290  117.209   2.7196  112.032   3.0955 5.177200 4.120491 
1 1 1    3   35   -2 o  201.027   1.8470 11677.22  214.436   0.0000   0.0000 11677.22  214.436  ?   ?   201.027   1.8470      ?      ? 
1 1 1    3   36   -2 o  269.074   1.4103 20922.35  219.033 20889.60  304.421 20957.51  315.389  268.859   1.9605  269.289   2.0279 -0.4296265 2.820615 
1 1 1    3   37   -2 o   70.085   3.0202  1421.02  122.247   0.0000   0.0000  1421.02  122.247  ?   ?    70.085   3.0202      ?      ? 
1 1 1    3   38   -2 o  174.483   1.7217  8802.88  173.486  8917.19  245.546  8688.94  245.147  175.616   2.4209  173.351   2.4486 2.264633 3.443334 
1 1 1    3   39   -2 o   87.051   2.7529  2192.23  138.406   0.0000   0.0000  2192.23  138.406  ?   ?    87.051   2.7529      ?      ? 
1 1 1    3   40   -2 o   68.033   3.2976  1340.50  129.568   0.0000   0.0000  1340.50  129.568  ?   ?    68.033   3.2976      ?      ? 
1 1 1    3   41   -2 o   67.368   3.2531  1308.85  124.636  1261.94  161.416  1378.12  196.139   65.919   4.2398   68.818   4.9349 -2.898674 6.506111 
1 1 1    3   42   -2 o   66.081   2.6212  1299.25   95.971  1144.16  154.315  1397.07  122.556   62.730   4.2594   69.432   3.0562 -6.702396 5.242431 
1 1 1    3   43   -2 o  140.573   2.0161  5717.23  163.683   0.0000   0.0000  5717.23  163.683  ?   ?   140.573   2.0161      ?      ? 
1 1 1    3   44   -2 o   92.186   2.7782  2479.01  147.382  2447.39  217.076  2506.06  200.740   91.601   4.1032   92.770   3.7466 -1.168274 5.556407 
1 1 1    3   45   -2 o   68.187   3.2675  1353.57  128.675   0.0000   0.0000  1353.57  128.675  ?   ?    68.187   3.2675      ?      ? 
1 1 1    3   46   -2 o   55.922   3.8433  916.228  124.129   0.0000   0.0000  916.228  124.129  ?   ?    55.922   3.8433      ?      ? 
1 1 1    3   47   -2 o   83.605   3.0938  2043.21  149.388   0.0000   0.0000  2043.21  149.388  ?   ?    83.605   3.0938      ?      ? 
1 1 1    3   48   -2 o   62.423   6.3676  1198.09  229.566   0.0000   0.0000  1198.09  229.566  ?   ?    62.423   6.3676      ?      ? 
1 1 1    3   49   -2 o   80.369   5.0639  1955.15  235.050   0.0000   0.0000  1955.15  235.050  ?   ?    80.369   5.0639      ?      ? 
1 1 1    3   50   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51   -2 o   18.688   8.6509 -89.9607  220.977   0.0000   0.0000 -89.9607  220.977  ?   ?    18.688   8.6509      ?      ? 
1 1 1    3   52   -2 o   49.794   7.9481  840.829  228.574   0.0000   0.0000  840.829  228.574  ?   ?    49.794   7.9481      ?      ? 
1 1 1    3    0   -3 o  228.931   1.1501 15136.19  152.047 15025.78  213.843 15249.07  216.230  228.087   1.6235  229.775   1.6296 -0.000000 0.000000 
1 1 1    3    1   -3 o  203.975   1.2141 12069.65  123.370 11908.69  247.376 12122.94  142.333  203.062   2.1093  204.889   1.2028 -1.826553 2.428175 
1 1 1    3    2   -3 o  625.129   2.0433 112890.50  731.135 112740.80  1110.17 113005.10  971.597  624.754   3.0768  625.504   2.6895 -0.7503052 4.086545 
1 1 1    3    3   -3 o  232.966   1.0016 15610.10  126.963 15486.34  155.080 15861.66  221.100  231.574   1.1595  234.359   1.6335 -2.785233 2.003214 
1 1 1    3    4   -3 o  236.355   0.9459 16132.46  129.120 16196.61  182.977 16068.84  182.230  236.823   1.3378  235.887   1.3376 0.9359894 1.891796 
1 1 1    3    5   -3 o  230.353   0.9961 15286.08  125.117 15209.99  153.271 15438.06  216.610  229.498   1.1564  231.208   1.6221 -1.710159 1.992123 
1 1 1    3    6   -3 o  170.488   0.9577  8395.44   94.253  8342.05  135.197  8445.94  131.469  169.960   1.3773  171.016   1.3311 -1.055359 1.915403 
1 1 1    3    7   -3 o   15.919   3.3774   73.888   33.729   83.844   46.619   62.950   48.861   16.788   4.6490   15.050   4.9005 1.737903 6.754853 
1 1 1    3    8   -3 o  651.376   2.3317 122632.10  798.407 122393.20  1474.44 122731.20  949.690  650.884   3.9223  651.868   2.5225 -0.9838257 4.663424 
1 1 1    3    9   -3 o  276.112   1.2197 22046.85  191.208 21854.28  298.538 22180.79  248.976  275.086   1.8791  277.137   1.5555 -2.051880 2.439391 
1 1 1    3   10   -3 o  155.239   1.1910  6988.23   99.963  7041.60  121.834  6878.31  174.860  156.152   1.3509  154.326   1.9619 1.825745 2.381995 
1 1 1    3   11   -3 o  442.042   1.6996 56544.68  412.075 56086.98  701.750 56785.57  509.090  440.663   2.7573  443.422   1.9879 -2.758911 3.399214 
1 1 1    3   12   -3 o  445.533   1.6962 57311.39  415.241 57389.49  706.185 57270.11  513.368  445.754   2.7431  445.311   1.9961 0.4430542 3.392467 
1 1 1    3   13   -3 o   87.993   1.2273  2235.97   62.372   0.0000   0.0000  2235.97   62.372  ?   ?    87.993   1.2273      ?      ? 
1 1 1    3   14   -3 o  137.365   1.1298  5388.47   76.444  5565.53  157.641  5334.03   87.408  138.822   1.9662  135.908   1.1136 2.914047 2.259646 
1 1 1    3   15   -3 o  316.139   1.3624 28911.83  244.029 28609.55  383.378 29117.72  316.403  314.746   2.1090  317.533   1.7253 -2.787323 2.724824 
1 1 1    3   16   -3 o  223.230   1.3683 14313.88  153.027 14545.48  306.518 14236.99  176.612  224.422   2.3649  222.037   1.3772 2.385742 2.736667 
1 1 1    3   17   -3 o  224.223   1.4877 14551.31  179.722 14608.68  218.151 14430.13  317.073  224.915   1.6794  223.530   2.4560 1.384415 2.975322 
1 1 1    3   18   -3 o  294.517   1.2305 25130.65  198.052 24797.18  339.361 25302.89  243.895  293.028   2.0052  296.006   1.4266 -2.977539 2.460958 
1 1 1    3   19   -3 o  292.680   1.2840 24718.94  213.043 24837.19  335.400 24638.96  275.836  293.265   1.9802  292.095   1.6351 1.169708 2.568051 
1 1 1    3   20   -3 o  380.208   2.3965 41765.89  525.946 42182.18  733.699 41325.86  754.329  382.159   3.3242  378.257   3.4529 3.901794 4.793028 
1 1 1    3   21   -3 o  668.257   3.2168 129471.30  1008.03 128217.70  2203.95 129802.90  1133.55  666.123   5.7288  670.390   2.9277 -4.266541 6.433538 
1 1 1    3   22   -3 o  200.942   1.3280 11660.43  154.123   0.0000   0.0000 11660.43  154.123  ?   ?   200.942   1.3280      ?      ? 
1 1 1    3   23   -3 o  134.808   1.7219  5248.33  134.067   0.0000   0.0000  5248.33  134.067  ?   ?   134.808   1.7219      ?      ? 
1 1 1    3   24   -3 o  333.983   2.2912 32216.11  441.940   0.0000   0.0000 32216.11  441.940  ?   ?   333.983   2.2912      ?      ? 
1 1 1    3   25   -3 o  491.421   3.1219 69709.05  883.509 68805.47  1201.25 70773.83  1304.01  487.967   4.2624  494.874   4.5625 -6.906830 6.243748 
1 1 1    3   26   -3 o  315.913   1.8481 28847.05  321.281 28766.49  544.027 28890.20  398.121  315.559   2.9851  316.266   2.1796 -0.7066345 3.696119 
1 1 1    3   27   -3 o  396.085   2.2322 45093.75  487.732 46111.71  826.615 44550.07  604.095  399.466   3.5829  392.704   2.6635 6.762756 4.464488 
1 1 1    3   28   -3 o  135.556   1.7237  5307.29  134.947   0.0000   0.0000  5307.29  134.947  ?   ?   135.556   1.7237      ?      ? 
1 1 1    3   29   -3 o   65.361   2.9451  1234.46  111.174   0.0000   0.0000  1234.46  111.174  ?   ?    65.361   2.9451      ?      ? 
1 1 1    3   30   -3 o  275.149   2.0097 21856.99  318.514 21593.41  433.683 22165.67  469.318  273.357   2.7470  276.942   2.9342 -3.584808 4.019411 
1 1 1    3   31   -3 o  208.999   1.8450 12618.60  222.698   0.0000   0.0000 12618.60  222.698  ?   ?   208.999   1.8450      ?      ? 
1 1 1    3   32   -3 o  373.977   2.1117 40369.22  436.531 40661.64  733.785 40209.04  543.086  374.960   3.3884  372.994   2.5211 1.966431 4.223406 
1 1 1    3   33   -3 o  228.253   1.8291 15052.63  241.127   0.0000   0.0000 15052.63  241.127  ?   ?   228.253   1.8291      ?      ? 
1 1 1    3   34   -3 o  193.314   1.8380 10808.25  204.933 10887.86  283.181 10720.70  296.947  194.068   2.5265  192.559   2.6701 1.507996 3.675986 
1 1 1    3   35   -3 o  109.782   1.8454  3482.56  117.007  3482.56  117.007   0.0000   0.0000  109.782   1.8454  ?   ?       ?      ? 
1 1 1    3   36   -3 o  127.958   2.0918  4732.22  154.584   0.0000   0.0000  4732.22  154.584  ?   ?   127.958   2.0918      ?      ? 
1 1 1    3   37   -3 o  136.396   1.7903  5410.10  139.970  5686.08  189.769  5080.81  207.285  140.245   2.3429  132.546   2.7078 7.699066 3.580680 
1 1 1    3   38   -3 o  128.268   2.0750  4755.51  153.714   0.0000   0.0000  4755.51  153.714  ?   ?   128.268   2.0750      ?      ? 
1 1 1    3   39   -3 o   51.988   4.3073  783.976  129.328   0.0000   0.0000  783.976  129.328  ?   ?    51.988   4.3073      ?      ? 
1 1 1    3   40   -3 o  169.391   2.0172  8295.04  197.348   0.0000   0.0000  8295.04  197.348  ?   ?   169.391   2.0172      ?      ? 
1 1 1    3   41   -3 o   70.689   3.1130  1471.19  121.695  1522.78  153.127  1382.76  200.502   72.461   3.6590   68.917   5.0374 3.543999 6.226007 
1 1 1    3   42   -3 o   42.815   3.7485  553.820   89.428  657.920  120.176  424.647  133.868   47.556   4.3755   38.075   6.0877 9.480820 7.497015 
1 1 1    3   43   -3 o  100.418   2.6155  3013.94  137.143  3135.94  164.198  2732.50  249.392  104.023   2.7331   96.814   4.4603 7.209137 5.231040 
1 1 1    3   44   -3 o   70.703   3.6921  1455.56  150.763   0.0000   0.0000  1455.56  150.763  ?   ?    70.703   3.6921      ?      ? 
1 1 1    3   45   -3 o   47.143   5.2417  655.584  142.719   0.0000   0.0000  655.584  142.719  ?   ?    47.143   5.2417      ?      ? 
1 1 1    3   46   -3 o   69.702   3.7786  1423.21  152.111   0.0000   0.0000  1423.21  152.111  ?   ?    69.702   3.7786      ?      ? 
1 1 1    3   47   -3 o   68.729   3.7977  1389.83  150.747   0.0000   0.0000  1389.83  150.747  ?   ?    68.729   3.7977      ?      ? 
1 1 1    3   48   -3 o   50.138   5.0998  756.585  147.674   0.0000   0.0000  756.585  147.674  ?   ?    50.138   5.0998      ?      ? 
1 1 1    3   49   -3 o   49.444   6.6663  765.637  190.365   0.0000   0.0000  765.637  190.365  ?   ?    49.444   6.6663      ?      ? 
1 1 1    3   50   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0   -4 o   20.351   3.4514  126.269   32.132  111.468   37.486  167.264   62.388   18.482   4.0056   22.221   5.6218 -0.000000 0.000000 
1 1 1    3    1   -4 o  600.870   2.5439 104293.00  882.782 103436.80  1245.19 105158.30  1251.72  598.390   3.6030  603.350   3.5921 -4.959595 5.087741 
1 1 1    3    2   -4 o  261.093   1.2073 19686.66  182.033 19358.86  256.742 20018.01  258.132  258.908   1.7170  263.279   1.6976 -4.371094 2.414530 
1 1 1    3    3   -4 o  522.890   2.6668 79253.35  754.463 79758.99  919.869 78214.08  1318.77  525.482   3.0310  520.297   4.3886 5.185059 5.333579 
1 1 1    3    4   -4 o  136.687   0.9275  5396.30   73.206  5340.48  104.171  5450.78  102.899  135.988   1.3264  137.386   1.2968 -1.397293 1.854993 
1 1 1    3    5   -4 o  446.290   2.2853 57524.38  589.033 57524.38  589.033   0.0000   0.0000  446.290   2.2853  ?   ?       ?      ? 
1 1 1    3    6   -4 o  201.238   1.2468 11668.97  123.101 11645.39  140.786 11745.50  253.693  200.812   1.2139  201.664   2.1782 -0.8519592 2.493598 
1 1 1    3    7   -4 o  438.327   1.7274 55513.71  429.503 55373.65  673.643 55609.63  557.519  437.854   2.6639  438.800   2.1999 -0.9463196 3.454841 
1 1 1    3    8   -4 o   67.126   0.9609  1290.91   33.596  1277.56   39.604  1325.17   63.450   66.513   1.0310   67.739   1.6218 -1.226402 1.921767 
1 1 1    3    9   -4 o  556.353   2.7063 89671.94  758.769 88911.58  1497.06 89934.79  880.201  554.702   4.6730  558.005   2.7312 -3.302673 5.412621 
1 1 1    3   10   -4 o  318.831   1.5190 29361.10  279.670 29518.21  392.715 29199.42  398.371  319.697   2.1269  317.965   2.1693 1.731873 3.038053 
1 1 1    3   11   -4 f  433.899   2.2250 54459.45  441.600 54253.67  999.675 54509.34  492.230  433.353   3.9942  434.445   1.9618 -1.092316 4.449981 
1 1 1    3   12   -4 o  303.181   1.3039 26530.85  224.005 26623.06  352.983 26468.68  289.848  303.619   2.0130  302.742   1.6577 0.8765564 2.607703 
1 1 1    3   13   -4 o  492.190   1.8670 69695.34  503.514 70821.07  864.412 69117.23  619.454  495.175   3.0226  489.206   2.1925 5.968750 3.734012 
1 1 1    3   14   -4 o  389.215   1.5251 43717.84  325.721 43851.82  555.700 43647.71  402.023  389.663   2.4693  388.767   1.7905 0.8965759 3.050103 
1 1 1    3   15   -4 o  734.629   2.7423 156099.00  1105.26 155202.80  1882.31 156570.70  1365.44  732.987   4.4464  736.272   3.2111 -3.284668 5.484662 
1 1 1    3   16   -4 o  294.822   1.4491 25097.23  246.712 24843.46  345.435 25361.47  352.477  293.301   2.0392  296.343   2.0595 -3.041840 2.898245 
1 1 1    3   17   -4 o  561.255   2.1140 90833.73  648.154 91422.61  1117.15 90534.92  795.784  562.612   3.4381  559.899   2.4609 2.712646 4.228079 
1 1 1    3   18   -4 o  715.363   2.8212 147582.80  1147.22 149116.00  1792.66 146519.50  1492.96  718.488   4.3201  712.237   3.6294 6.251587 5.642348 
1 1 1    3   19   -4 o  602.998   2.3607 104933.90  807.706 105473.00  1268.05 104565.80  1047.76  604.290   3.6333  601.706   3.0150 2.583862 4.721393 
1 1 1    3   20   -4 o  457.870   2.4756 60400.98  622.755 61045.84  1061.70 60062.75  768.925  459.713   3.9988  456.027   2.9195 3.685547 4.951156 
1 1 1    3   21   -4 o  385.452   1.9456 42865.50  353.423 42988.34  769.992 42832.71  397.802  385.784   3.4559  385.120   1.7885 0.6642761 3.891232 
1 1 1    3   22   -4 o  799.573   3.4831 184669.20  1608.45   0.0000   0.0000 184669.20  1608.45  ?   ?   799.573   3.4831      ?      ? 
1 1 1    3   23   -4 o  913.316   4.6019 241016.00  2427.42   0.0000   0.0000 241016.00  2427.42  ?   ?   913.316   4.6019      ?      ? 
1 1 1    3   24   -4 o  265.814   1.8946 20406.08  290.851   0.0000   0.0000 20406.08  290.851  ?   ?   265.814   1.8946      ?      ? 
1 1 1    3   25   -4 o  276.731   2.1004 21943.44  332.255 20953.00  435.550 23322.06  513.861  269.328   2.8001  284.135   3.1314 -14.80762 4.200716 
1 1 1    3   26   -4 o  452.401   2.5097 58909.11  608.833 58529.02  734.104 59746.58  1089.69  450.120   2.8239  454.682   4.1496 -4.561615 5.019336 
1 1 1    3   27   -4 o  590.184   3.6817 100718.80  1254.29 100231.60  1744.37 101240.40  1804.83  588.720   5.1303  591.649   5.2819 -2.929382 7.363318 
1 1 1    3   28   -4 o  320.573   2.3123 29702.33  427.070 29767.91  584.312 29627.11  625.751  320.961   3.1522  320.185   3.3839 0.7761841 4.624584 
1 1 1    3   29   -4 o  213.523   1.7414 13168.96  214.743   0.0000   0.0000 13168.96  214.743  ?   ?   213.523   1.7414      ?      ? 
1 1 1    3   30   -4 o  196.781   1.6833 11185.15  191.303   0.0000   0.0000 11185.15  191.303  ?   ?   196.781   1.6833      ?      ? 
1 1 1    3   31   -4 o  329.870   2.3124 31473.50  439.587 31652.19  603.028 31270.88  642.156  330.883   3.1556  328.856   3.3810 2.027008 4.624819 
1 1 1    3   32   -4 o  331.991   1.9841 31826.41  358.155 31967.43  622.748 31756.71  437.805  332.480   3.2431  331.501   2.2867 0.9783020 3.968220 
1 1 1    3   33   -4 o  328.346   1.9622 31211.47  351.129 31047.20  606.203 31294.41  430.746  327.629   3.2037  329.063   2.2665 -1.434875 3.924371 
1 1 1    3   34   -4 o  337.104   2.3175 32847.02  451.209   0.0000   0.0000 32847.02  451.209  ?   ?   337.104   2.3175      ?      ? 
1 1 1    3   35   -4 o  201.107   1.7143 11699.32  198.625 11799.77  272.199 11584.92  290.490  202.039   2.3327  200.174   2.5127 1.864380 3.428590 
1 1 1    3   36   -4 o  190.819   1.8782 10521.99  206.992   0.0000   0.0000 10521.99  206.992  ?   ?   190.819   1.8782      ?      ? 
1 1 1    3   37   -4 o  150.273   1.9680  6526.18  170.797   0.0000   0.0000  6526.18  170.797  ?   ?   150.273   1.9680      ?      ? 
1 1 1    3   38   -4 o  164.629   1.9195  7832.83  182.508   0.0000   0.0000  7832.83  182.508  ?   ?   164.629   1.9195      ?      ? 
1 1 1    3   39   -4 o  149.885   2.2613  6495.54  195.752   0.0000   0.0000  6495.54  195.752  ?   ?   149.885   2.2613      ?      ? 
1 1 1    3   40   -4 o  110.514   2.7409  3534.33  174.943   0.0000   0.0000  3534.33  174.943  ?   ?   110.514   2.7409      ?      ? 
1 1 1    3   41   -4 o  106.775   2.8243  3300.93  174.168   0.0000   0.0000  3300.93  174.168  ?   ?   106.775   2.8243      ?      ? 
1 1 1    3   42   -4 o  144.482   2.3453  6041.35  195.707   0.0000   0.0000  6041.35  195.707  ?   ?   144.482   2.3453      ?      ? 
1 1 1    3   43   -4 o   91.158   3.1450  2411.39  165.574   0.0000   0.0000  2411.39  165.574  ?   ?    91.158   3.1450      ?      ? 
1 1 1    3   44   -4 o  115.545   2.7154  3873.20  181.206   0.0000   0.0000  3873.20  181.206  ?   ?   115.545   2.7154      ?      ? 
1 1 1    3   45   -4 o   49.911   5.0008  733.905  144.153  733.905  144.153   0.0000   0.0000   49.911   5.0008  ?   ?       ?      ? 
1 1 1    3   46   -4 f   48.528   5.0170  697.943  140.610  697.943  140.610   0.0000   0.0000   48.528   5.0170  ?   ?       ?      ? 
1 1 1    3   47   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0   -5 f  195.497   1.2878 11063.92  136.883 10968.68  237.149 11111.51  167.624  194.854   2.1079  196.140   1.4799 -0.000000 0.000000 
1 1 1    3    1   -5 o  152.817   1.0900  6706.04   83.913  6822.18  166.725  6666.63   97.110  153.696   1.8782  151.939   1.1066 1.757370 2.180016 
1 1 1    3    2   -5 o  454.702   1.8558 59676.18  476.126 59902.91  759.938 59529.67  610.891  455.404   2.8893  454.001   2.3298 1.402710 3.711638 
1 1 1    3    3   -5 o  166.334   0.9810  7991.21   94.213  7923.88  134.413  8056.24  132.093  165.645   1.4050  167.023   1.3694 -1.377899 1.961926 
1 1 1    3    4   -5 o  289.587   1.2943 24185.16  211.668 24059.16  271.843 24379.19  337.335  288.633   1.6307  290.541   2.0103 -1.907623 2.588586 
1 1 1    3    5   -5 o   36.841   1.2927  389.619   27.341  412.647   41.425  371.845   36.394   37.800   1.8975   35.883   1.7561 1.917164 2.585467 
1 1 1    3    6   -5 o  577.223   2.2446 96301.77  735.606 95922.77  1149.98 96564.25  957.010  576.246   3.4554  578.201   2.8658 -1.954895 4.489186 
1 1 1    3    7   -5 o  243.315   1.4332 17040.66  190.710 17275.69  328.544 16921.22  234.206  244.571   2.3260  242.058   1.6753 2.512726 2.866485 
1 1 1    3    8   -5 o  915.256   2.8658 241901.59  1466.39 241544.70  1853.49 242498.80  2397.57  914.410   3.5096  916.102   4.5315 -1.691467 5.731679 
1 1 1    3    9   -5 o  207.932   1.2923 12571.21  135.098 12314.40  266.706 12659.85  156.687  206.489   2.2364  209.376   1.2958 -2.886414 2.584665 
1 1 1    3   10   -5 o  448.566   1.8720 58043.68  471.764 57806.86  600.510 58425.46  762.476  447.383   2.3241  449.750   2.9354 -2.367188 3.744080 
1 1 1    3   11   -5 o  416.631   2.1554 50428.14  447.443 49563.24  896.059 50715.43  516.438  414.212   3.7457  419.051   2.1339 -4.838867 4.310842 
1 1 1    3   12   -5 o  392.060   1.6388 44388.43  364.069 44417.03  573.396 44369.12  471.246  392.161   2.5317  391.959   2.0817 0.2019348 3.277627 
1 1 1    3   13   -5 o  167.656   0.9662  8140.83   91.717  7996.46  144.127  8239.09  118.898  166.403   1.4997  168.910   1.2188 -2.507019 1.932494 
1 1 1    3   14   -5 o  272.777   1.3528 21487.72  213.113 21385.73  300.399 21591.07  302.386  272.126   1.9114  273.429   1.9148 -1.303314 2.705533 
1 1 1    3   15   -5 o  122.752   0.9787  4346.82   68.120  4327.74   88.206  4375.00  107.228  122.419   1.2476  123.084   1.5084 -0.6658478 1.957479 
1 1 1    3   16   -5 o  252.241   1.2987 18381.80  189.095 18665.51  264.549 18085.43  270.389  254.232   1.8017  250.250   1.8708 3.982117 2.597332 
1 1 1    3   17   -5 o   90.915   1.2015  2383.32   63.038  2486.06   91.330  2289.84   87.118   92.783   1.7044   89.046   1.6940 3.736923 2.403002 
1 1 1    3   18   -5 o  420.107   1.7184 50989.47  409.459 50868.44  642.451 51072.27  531.362  419.683   2.6505  420.531   2.1878 -0.8475952 3.436826 
1 1 1    3   19   -5 o  166.683   1.2686  8023.27  122.127   0.0000   0.0000  8023.27  122.127  ?   ?   166.683   1.2686      ?      ? 
1 1 1    3   20   -5 o  240.041   1.8664 16638.70  258.676 16536.02  361.234 16746.76  370.591  239.282   2.6139  240.801   2.6647 -1.519333 3.732739 
1 1 1    3   21   -5 o  677.031   3.3977 131856.00  1135.30 133538.09  2323.02 131328.09  1301.29  679.769   5.9171  674.294   3.3415 5.475220 6.795380 
1 1 1    3   22   -5 o  539.044   2.3889 83919.85  743.713   0.0000   0.0000 83919.85  743.713  ?   ?   539.044   2.3889      ?      ? 
1 1 1    3   23   -5 o  285.388   2.0022 23524.82  329.842 23528.40  459.197 23521.01  474.094  285.411   2.7858  285.364   2.8766 0.4696655E-01 4.004409 
1 1 1    3   24   -5 o  363.030   1.7655 38060.82  369.706 37975.35  509.934 38155.55  536.786  362.602   2.4350  363.457   2.5572 -0.8555603 3.531066 
1 1 1    3   25   -5 o  414.523   2.7128 49634.31  649.466 49634.31  649.466   0.0000   0.0000  414.523   2.7128  ?   ?       ?      ? 
1 1 1    3   26   -5 o  225.933   1.8002 14742.89  234.903 14742.89  234.903   0.0000   0.0000  225.933   1.8002  ?   ?       ?      ? 
1 1 1    3   27   -5 o  469.419   2.6924 63761.43  691.137 63450.73  1185.24 63921.51  850.750  468.487   4.3805  470.350   3.1318 -1.863403 5.384872 
1 1 1    3   28   -5 f  104.628   1.7459  3161.88  105.499   0.0000   0.0000  3161.88  105.499  ?   ?   104.628   1.7459      ?      ? 
1 1 1    3   29   -5 o  130.084   1.8664  4890.67  139.825  4906.12  190.834  4872.77  205.459  130.309   2.5357  129.859   2.7395 0.4494781 3.732894 
1 1 1    3   30   -5 o   58.481   2.6581  988.321   89.778   0.0000   0.0000  988.321   89.778  ?   ?    58.481   2.6581      ?      ? 
1 1 1    3   31   -5 o  195.987   1.3840 11094.54  156.653   0.0000   0.0000 11094.54  156.653  ?   ?   195.987   1.3840      ?      ? 
1 1 1    3   32   -5 o   91.755   1.5119  2431.94   80.119   0.0000   0.0000  2431.94   80.119  ?   ?    91.755   1.5119      ?      ? 
1 1 1    3   33   -5 o  230.517   1.6566 15352.47  211.425 15379.82  353.674 15337.26  263.738  230.648   2.6550  230.387   1.9821 0.2609100 3.313300 
1 1 1    3   34   -5 o  416.605   2.3626 50459.56  533.879 49517.45  927.120 50926.95  653.017  413.535   3.8818  419.674   2.6942 -6.138824 4.725178 
1 1 1    3   35   -5 o  161.986   1.9408  7582.71  181.566   0.0000   0.0000  7582.71  181.566  ?   ?   161.986   1.9408      ?      ? 
1 1 1    3   36   -5 o   45.354   4.8687  596.790  127.531   0.0000   0.0000  596.790  127.531  ?   ?    45.354   4.8687      ?      ? 
1 1 1    3   37   -5 o  193.773   2.0541 10882.78  223.984 10956.65  286.710 10767.09  358.800  194.657   2.5503  192.888   3.2208 1.768341 4.108210 
1 1 1    3   38   -5 o   67.994   4.1835  1340.30  164.283   0.0000   0.0000  1340.30  164.283  ?   ?    67.994   4.1835      ?      ? 
1 1 1    3   39   -5 o  169.395   2.1977  8296.30  215.007   0.0000   0.0000  8296.30  215.007  ?   ?   169.395   2.1977      ?      ? 
1 1 1    3   40   -5 o  187.906   1.7148 10204.84  186.101   0.0000   0.0000 10204.84  186.101  ?   ?   187.906   1.7148      ?      ? 
1 1 1    3   41   -5 o  153.751   3.1060  6848.89  275.804   0.0000   0.0000  6848.89  275.804  ?   ?   153.751   3.1060      ?      ? 
1 1 1    3   42   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   43   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   44   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   45   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   46   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   -5 o   53.480   5.0576  855.483  156.214  855.483  156.214   0.0000   0.0000   53.480   5.0576  ?   ?       ?      ? 
1 1 1    3   48   -5 f   95.571   2.8882  2675.15  159.416   0.0000   0.0000  2675.15  159.416  ?   ?    95.571   2.8882      ?      ? 
1 1 1    3   49   -5 o   70.778   3.0257  1498.64  122.451  1498.50  162.311  1498.82  186.551   70.950   3.9610   70.606   4.5748 0.3441391 6.051328 
1 1 1    3   50   -5 o   23.122   6.1606  147.948  128.121  255.411  147.703 -178.6411  257.490   27.327   8.4764   18.918   8.9421 8.409277 12.32117 
1 1 1    3   51   -5 o   75.234   3.7660  1692.22  163.638   0.0000   0.0000  1692.22  163.638  ?   ?    75.234   3.7660      ?      ? 
1 1 1    3   52   -5 o   31.048   8.6098  351.229  159.776   0.0000   0.0000  351.229  159.776  ?   ?    31.048   8.6098      ?      ? 
1 1 1    3    0   -6 o  139.127   1.1716  5603.31   88.692  5558.88  153.426  5625.62  108.693  138.701   1.9161  139.554   1.3489 -0.000000 0.000000 
1 1 1    3    1   -6 o  120.991   0.8738  4223.85   59.676  4210.48   76.605  4244.47   95.175  120.748   1.0985  121.233   1.3593 -0.4852142 1.747667 
1 1 1    3    2   -6 o  187.956   1.1935 10169.36  113.206 10270.24  223.906 10134.72  131.213  188.576   2.0559  187.335   1.2127 1.240982 2.386907 
1 1 1    3    3   -6 o  248.249   1.1040 17758.39  155.443 18003.26  244.895 17593.16  201.161  249.678   1.6983  246.821   1.4112 2.856918 2.208074 
1 1 1    3    4   -6 o  127.353   1.2000  4707.26   82.572  4617.44  144.497  4750.82  100.619  126.444   1.9787  128.261   1.3583 -1.817116 2.400042 
1 1 1    3    5   -6 o  468.429   1.5699 63469.87  421.012 62625.08  636.816 64125.80  561.139  465.651   2.3679  471.207   2.0619 -5.555695 3.139844 
1 1 1    3    6   -6 o  268.398   1.6959 20891.09  246.226 21051.19  300.248 20562.32  430.272  269.983   1.9256  266.814   2.7922 3.169586 3.391802 
1 1 1    3    7   -6 o  296.738   1.2371 25549.48  199.145 25782.88  243.574 25078.90  345.862  298.796   1.4115  294.679   2.0322 4.116821 2.474283 
1 1 1    3    8   -6 o  302.808   1.2396 26510.81  204.744 26388.55  352.972 26572.80  251.350  302.276   2.0219  303.339   1.4347 -1.062469 2.479178 
1 1 1    3    9   -6 o  464.589   1.9289 62349.99  506.767 62379.62  653.450 62305.27  802.714  464.737   2.4346  464.441   2.9926 0.2967224 3.857791 
1 1 1    3   10   -6 o  219.126   1.4033 13951.69  152.182 13703.14  307.787 14032.11  175.080  217.820   2.4466  220.431   1.3752 -2.610901 2.806639 
1 1 1    3   11   -6 o  478.562   2.4896 65966.95  647.661 66709.52  1128.65 65602.36  790.826  480.540   4.0667  476.583   2.8731 3.956879 4.979259 
1 1 1    3   12   -6 o  296.400   1.3153 25366.64  219.048 25350.77  279.108 25392.08  353.454  296.282   1.6311  296.518   2.0639 -0.2361145 2.630656 
1 1 1    3   13   -6 o  193.135   1.1428 10775.89  127.221 10835.26  174.804 10709.03  185.507  193.701   1.5626  192.569   1.6680 1.132339 2.285546 
1 1 1    3   14   -6 o  321.391   1.3710 29792.86  249.898 30024.80  393.184 29635.67  323.685  322.438   2.1114  320.345   1.7495 2.092377 2.742029 
1 1 1    3   15   -6 o  659.118   2.3456 125462.30  892.852 124383.10  1253.64 126573.20  1271.93  656.242   3.3077  661.994   3.3268 -5.751770 4.691280 
1 1 1    3   16   -6 o  137.753   1.0641  5478.30   84.635  5416.41  118.011  5543.86  121.446  136.953   1.4920  138.555   1.5177 -1.601837 2.128234 
1 1 1    3   17   -6 f  330.991   1.4114 31681.37  265.033 31407.43  414.835 31870.30  344.512  329.778   2.1781  332.204   1.7956 -2.425262 2.822793 
1 1 1    3   18   -6 o  544.068   1.9514 85490.95  613.166 85196.77  867.801 85784.26  866.495  543.133   2.7665  545.003   2.7528 -1.869690 3.902770 
1 1 1    3   19   -6 o  521.032   2.2963 78407.09  690.979 78684.64  981.313 78134.16  973.122  521.946   3.2553  520.118   3.2395 1.828491 4.592573 
1 1 1    3   20   -6 f  321.934   1.3927 29936.74  253.924 29902.27  400.391 29959.93  328.418  321.776   2.1545  322.091   1.7655 -0.3150330 2.785452 
1 1 1    3   21   -6 o  251.882   1.8744 18322.97  272.648 18392.10  388.388 18255.80  382.836  252.350   2.6649  251.413   2.6366 0.9363861 3.748743 
1 1 1    3   22   -6 o  472.532   3.0301 64494.20  826.944   0.0000   0.0000 64494.20  826.944  ?   ?   472.532   3.0301      ?      ? 
1 1 1    3   23   -6 o  444.887   2.6573 57182.70  682.724 56482.62  966.260 57880.63  964.776  442.166   3.7838  447.608   3.7320 -5.441223 5.314582 
1 1 1    3   24   -6 o  171.815   1.8519  8525.71  183.764   0.0000   0.0000  8525.71  183.764  ?   ?   171.815   1.8519      ?      ? 
1 1 1    3   25   -6 f  175.075   1.8745  8847.59  189.212  8750.91  259.425  8957.48  276.569  174.055   2.5807  176.095   2.7194 -2.039551 3.749027 
1 1 1    3   26   -6 f  133.485   1.8588  5146.34  143.301  5146.34  143.301   0.0000   0.0000  133.485   1.8588  ?   ?       ?      ? 
1 1 1    3   27   -6 o  457.908   2.4528 60676.68  619.305 60320.17  1043.28 60870.66  769.563  456.817   3.9543  459.000   2.9030 -2.182709 4.905508 
1 1 1    3   28   -6 o  343.677   1.6383 34125.73  325.140 33466.74  460.146 34782.84  459.489  340.361   2.3408  346.992   2.2928 -6.630829 3.276666 
1 1 1    3   29   -6 o  148.598   1.5378  6395.48  122.650  6335.03  217.877  6423.52  148.396  148.071   2.5477  149.125   1.7230 -1.054153 3.075671 
1 1 1    3   30   -6 o  389.544   2.0820 43839.88  468.416   0.0000   0.0000 43839.88  468.416  ?   ?   389.544   2.0820      ?      ? 
1 1 1    3   31   -6 f  279.050   1.6111 22493.80  259.650   0.0000   0.0000 22493.80  259.650  ?   ?   279.050   1.6111      ?      ? 
1 1 1    3   32   -6 o  291.223   1.7180 24501.71  288.953   0.0000   0.0000 24501.71  288.953  ?   ?   291.223   1.7180      ?      ? 
1 1 1    3   33   -6 o  203.042   1.5787 11909.94  185.126   0.0000   0.0000 11909.94  185.126  ?   ?   203.042   1.5787      ?      ? 
1 1 1    3   34   -6 o  206.582   1.5803 12329.39  188.548   0.0000   0.0000 12329.39  188.548  ?   ?   206.582   1.5803      ?      ? 
1 1 1    3   35   -6 o   14.437   4.7918 -147.1549  100.869 -188.6296  155.086 -116.7466  132.794   14.510   6.8825   14.363   6.6692 0.1467772 9.583693 
1 1 1    3   36   -6 o  142.430   2.2983  5864.28  189.060   0.0000   0.0000  5864.28  189.060  ?   ?   142.430   2.2983      ?      ? 
1 1 1    3   37   -6 o  100.376   2.2917  2914.99  132.819  2954.76  190.472  2877.34  185.302  101.041   3.2640   99.712   3.2177 1.329407 4.583385 
1 1 1    3   38   -6 o  176.233   2.7280  8984.07  277.661   0.0000   0.0000  8984.07  277.661  ?   ?   176.233   2.7280      ?      ? 
1 1 1    3   39   -6 o  133.083   2.0410  5122.58  156.713  4803.12  218.922  5458.32  224.431  128.824   2.9424  137.342   2.8294 -8.517242 4.082086 
1 1 1    3   40   -6 o   91.593   3.7436  2432.74  198.035   0.0000   0.0000  2432.74  198.035  ?   ?    91.593   3.7436      ?      ? 
1 1 1    3   41   -6 o  152.696   1.9852  6757.03  174.773  6847.70  241.172  6656.75  253.630  153.789   2.7153  151.603   2.8967 2.186768 3.970371 
1 1 1    3   42   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   43   -6 o   59.777   3.9847  1093.90  131.652  1314.73  175.971  813.154  198.412   67.099   4.5409   52.456   6.5492 14.64307 7.969442 
1 1 1    3   44   -6 o  111.453   2.6975  3605.15  173.635   0.0000   0.0000  3605.15  173.635  ?   ?   111.453   2.6975      ?      ? 
1 1 1    3   45   -6 o   68.606   4.0252  1378.81  159.490   0.0000   0.0000  1378.81  159.490  ?   ?    68.606   4.0252      ?      ? 
1 1 1    3   46   -6 o   93.155   2.9036  2530.25  156.215   0.0000   0.0000  2530.25  156.215  ?   ?    93.155   2.9036      ?      ? 
1 1 1    3   47   -6 o   72.639   3.7227  1554.60  156.176   0.0000   0.0000  1554.60  156.176  ?   ?    72.639   3.7227      ?      ? 
1 1 1    3   48   -6 o   96.230   2.9521  2715.19  164.068   0.0000   0.0000  2715.19  164.068  ?   ?    96.230   2.9521      ?      ? 
1 1 1    3   49   -6 f   54.890   5.0075  797.961  140.753  514.288  165.180  1549.98  268.945   39.553   7.5055   70.227   6.6309 -30.67448 10.01503 
1 1 1    3   50   -6 o   18.797   8.0055   41.571  152.609   0.0000   0.0000   41.571  152.609  ?   ?    18.797   8.0055      ?      ? 
1 1 1    3   51   -6 o   32.585   7.9346  367.435  147.931   0.0000   0.0000  367.435  147.931  ?   ?    32.585   7.9346      ?      ? 
1 1 1    3   52   -6 o   54.472   4.8446  917.654  152.413   0.0000   0.0000  917.654  152.413  ?   ?    54.472   4.8446      ?      ? 
1 1 1    3    0   -7 o  419.402   2.5937 50805.24  628.193   0.0000   0.0000 50805.24  628.193  419.402   2.5937  419.402   2.5937 -0.000000 0.000000 
1 1 1    3    1   -7 o  113.927   0.9507  3749.87   62.520  3804.77   87.337  3692.16   89.539  114.782   1.3175  113.071   1.3711 1.711586 1.901485 
1 1 1    3    2   -7 o  297.125   1.1437 25495.25  196.265 25420.34  276.607 25571.20  278.523  296.685   1.6143  297.565   1.6207 -0.8789673 2.287469 
1 1 1    3    3   -7 o  105.116   1.2032  3167.24   67.154  3251.19  122.727  3131.37   80.230  106.101   2.0028  104.131   1.3340 1.970016 2.406430 
1 1 1    3    4   -7 o  132.567   1.2597  5080.25   90.882  5090.00  111.304  5060.75  157.419  132.760   1.4516  132.374   2.0591 0.3863068 2.519332 
1 1 1    3    5   -7 o  100.835   0.9387  2931.86   53.017  2954.46   86.390  2918.20   67.148  101.146   1.4789  100.524   1.1566 0.6214294 1.877436 
1 1 1    3    6   -7 o  166.691   1.0220  8024.34   98.389  8023.14  139.419  8025.53  138.869  166.679   1.4483  166.704   1.4424 -0.2491760E-01 2.044003 
1 1 1    3    7   -7 o   82.701   1.0547  1967.60   48.914  2006.59   79.686  1944.03   61.960   83.356   1.6552   82.047   1.3076 1.308556 2.109400 
1 1 1    3    8   -7 o  533.625   1.7946 82291.22  546.935 81926.94  837.437 82562.18  722.250  532.588   2.7225  534.663   2.3390 -2.075134 3.589287 
1 1 1    3    9   -7 o  218.034   1.0664 13754.80  131.234 13605.07  208.516 13853.01  168.875  217.049   1.6634  219.020   1.3350 -1.971619 2.132898 
1 1 1    3   10   -7 o  266.348   1.1459 20456.99  166.369 20578.23  287.968 20396.25  203.828  266.937   1.8679  265.759   1.3280 1.177429 2.291840 
1 1 1    3   11   -7 o  172.992   1.0005  8642.90   97.411  8639.36  156.413  8645.14  124.504  172.962   1.5658  173.022   1.2459 -0.5957031E-01 2.001021 
1 1 1    3   12   -7 o  551.333   1.9796 87784.01  630.293 87183.22  885.414 88401.25  897.446  549.421   2.7903  553.245   2.8087 -3.824158 3.959134 
1 1 1    3   13   -7 o  879.759   3.4542 223048.20  1721.55 226389.50  2722.53 220822.00  2222.22  885.201   5.3253  874.318   4.4008 10.88306 6.908410 
1 1 1    3   14   -7 o  721.162   2.8192 150468.70  1150.08 151458.00  1486.17 148991.91  1815.82  724.141   3.5535  718.183   4.3778 5.958130 5.638480 
1 1 1    3   15   -7 f  821.926   2.8945 195153.80  1373.75 196215.80  1927.66 194057.80  1958.27  824.201   4.0496  819.651   4.1367 4.549561 5.788937 
1 1 1    3   16   -7 o  374.203   1.4043 40438.64  303.482 40185.59  428.917 40692.33  429.460  373.030   1.9909  375.375   1.9809 -2.344727 2.808509 
1 1 1    3   17   -7 o  588.446   2.0979 100004.80  712.967 99470.06  1005.30 100545.90  1011.31  586.864   2.9660  590.029   2.9677 -3.165161 4.195782 
1 1 1    3   18   -7 o  250.237   1.2731 18080.63  183.973 18261.79  262.685 17906.22  257.741  251.467   1.8087  249.007   1.7922 2.460068 2.546251 
1 1 1    3   19   -7 o  246.572   1.1926 17522.83  165.814 17717.65  265.615 17398.42  212.253  247.691   1.8568  245.453   1.4973 2.238647 2.385242 
1 1 1    3   20   -7 o  924.229   3.6752 246914.59  1918.99 246319.50  3046.91 247305.80  2470.55  923.250   5.7142  925.209   4.6235 -1.958679 7.350412 
1 1 1    3   21   -7 o  189.287   1.2334 10350.82  134.627 10282.51  195.521 10412.40  185.646  188.693   1.7941  189.882   1.6928 -1.188828 2.466702 
1 1 1    3   22   -7 o  231.749   1.3015 15502.20  173.993 15680.72  252.823 15341.58  239.817  233.015   1.8787  230.482   1.8016 2.532745 2.602901 
1 1 1    3   23   -7 o  173.731   1.7360  8717.34  174.181  8744.77  247.693  8690.50  244.987  174.002   2.4648  173.461   2.4454 0.5404816 3.472060 
1 1 1    3   24   -7 o  373.574   2.1718 40101.46  445.026 40994.34  763.441 39641.90  547.705  376.686   3.5092  370.462   2.5599 6.224121 4.343676 
1 1 1    3   25   -7 o  324.447   2.2937 30405.27  429.807 30405.27  429.807   0.0000   0.0000  324.447   2.2937  ?   ?       ?      ? 
1 1 1    3   26   -7 o  467.781   3.1500 63223.93  851.027   0.0000   0.0000 63223.93  851.027  ?   ?   467.781   3.1500      ?      ? 
1 1 1    3   27   -7 o  590.205   4.1773 101059.20  1407.34 102405.20  1860.93 99261.00  2151.00  594.916   5.4161  585.494   6.3611 9.422424 8.354508 
1 1 1    3   28   -7 o  172.556   1.4731  8612.02  139.696  8566.64  237.080  8636.15  172.899  172.198   2.3839  172.914   1.7313 -0.7158356 2.946231 
1 1 1    3   29   -7 o  172.842   1.5306  8647.38  150.114  8540.84  234.609  8721.23  195.334  171.932   2.3627  173.753   1.9465 -1.821106 3.061234 
1 1 1    3   30   -7 o  100.381   1.9386  2908.99  111.418  2937.02  169.421  2887.62  147.900  100.801   2.9101   99.961   2.5618 0.8404694 3.877110 
1 1 1    3   31   -7 o  251.063   1.6587 18208.74  240.516   0.0000   0.0000 18208.74  240.516  ?   ?   251.063   1.6587      ?      ? 
1 1 1    3   32   -7 o  109.572   1.5800  3468.59   86.914  3471.95  172.873  3467.45  100.545  109.587   2.7314  109.558   1.5890 0.2899170E-01 3.159990 
1 1 1    3   33   -7 o  120.922   2.2514  4226.17  157.233   0.0000   0.0000  4226.17  157.233  ?   ?   120.922   2.2514      ?      ? 
1 1 1    3   34   -7 o  149.292   1.9608  6445.75  168.874  6451.27  233.353  6439.67  244.699  149.364   2.7051  149.220   2.8394 0.1447906 3.921673 
1 1 1    3   35   -7 o  114.526   2.1969  3847.99  142.563  4127.56  188.651  3475.77  217.677  119.468   2.7342  109.584   3.4394 9.884232 4.393752 
1 1 1    3   36   -7 o  142.786   1.9236  5896.11  158.630  5865.44  223.659  5927.15  225.020  142.413   2.7193  143.160   2.7215 -0.7469940 3.847240 
1 1 1    3   37   -7 o  302.097   2.2291 26400.64  388.835 25904.67  543.344 26921.28  556.691  299.192   3.1444  305.003   3.1603 -5.810974 4.458106 
1 1 1    3   38   -7 o   89.177   2.6454  2286.92  135.150  2177.32  178.398  2434.54  207.048   86.702   3.5627   91.652   3.9115 -4.950195 5.290777 
1 1 1    3   39   -7 o  130.191   2.0768  4908.23  156.076  4819.98  223.138  4992.76  218.389  129.039   2.9941  131.344   2.8790 -2.304382 4.153685 
1 1 1    3   40   -7 o   45.583   4.4568  606.206  115.497  614.767  180.459  600.267  150.316   45.807   6.8212   45.359   5.7379 0.4480743 8.913551 
1 1 1    3   41   -7 o  141.006   1.8601  5741.52  149.347  5844.54  232.434  5669.08  194.904  142.052   2.8331  139.961   2.4112 2.090668 3.720279 
1 1 1    3   42   -7 o  136.173   2.3134  5350.40  177.624  5243.10  226.713  5520.96  285.834  134.483   2.9189  137.863   3.5899 -3.379883 4.626820 
1 1 1    3   43   -7 o   52.237   5.6367  802.470  170.054   0.0000   0.0000  802.470  170.054  ?   ?    52.237   5.6367      ?      ? 
1 1 1    3   44   -7 o  116.690   2.6435  3952.38  178.157   0.0000   0.0000  3952.38  178.157  ?   ?   116.690   2.6435      ?      ? 
1 1 1    3   45   -7 o  155.788   1.8987  7091.19  163.585  6933.27  272.444  7180.22  204.564  154.268   3.0578  157.308   2.2516 -3.039749 3.797394 
1 1 1    3   46   -7 o   69.806   3.0061  1422.70  121.195   0.0000   0.0000  1422.70  121.195  ?   ?    69.806   3.0061      ?      ? 
1 1 1    3   47   -7 o   58.539   4.6304  1022.17  156.548   0.0000   0.0000  1022.17  156.548  ?   ?    58.539   4.6304      ?      ? 
1 1 1    3   48   -7 o   41.350   6.7104  613.753  159.654  719.629  205.288  451.703  253.974   47.553   7.4748   35.148   11.146 12.40548 13.42071 
1 1 1    3   49   -7 o   36.743   7.3210  443.673  149.901   0.0000   0.0000  443.673  149.901  ?   ?    36.743   7.3210      ?      ? 
1 1 1    3   50   -7 o   53.036   6.2821  885.795  192.426   0.0000   0.0000  885.795  192.426  ?   ?    53.036   6.2821      ?      ? 
1 1 1    3   51   -7 o   56.785   4.7901  987.705  157.094   0.0000   0.0000  987.705  157.094  ?   ?    56.785   4.7901      ?      ? 
1 1 1    3   52   -7 o   74.102   3.1592  1672.03  134.631  1541.37  180.548  1835.68  202.056   70.926   4.4076   77.279   4.5271 -6.353386 6.318397 
1 1 1    3    0   -8 o  142.237   1.4086  5845.75  115.652  5952.77  164.149  5740.27  162.970  143.531   1.9810  140.943   2.0030 -0.000000 0.000000 
1 1 1    3    1   -8 o  369.580   1.9411 39363.23  356.728 39277.80  410.520 39626.61  720.843  368.784   1.9274  370.375   3.3699 -1.591614 3.882140 
1 1 1    3    2   -8 o  324.992   1.8060 30423.88  319.835 30753.25  554.630 30259.78  391.484  326.296   2.9431  323.688   2.0941 2.607880 3.612096 
1 1 1    3    3   -8 o  596.912   2.6996 102912.70  930.662 102912.70  930.662   0.0000   0.0000  596.912   2.6996  ?   ?       ?      ? 
1 1 1    3    4   -8 o  155.684   0.9591  7015.00   84.724  6915.14  132.374  7084.29  110.267  154.742   1.4812  156.625   1.2190 -1.882813 1.918293 
1 1 1    3    5   -8 o   87.494   1.0275  2211.89   50.959  2204.73   80.088  2216.77   66.057   87.374   1.5871   87.614   1.3055 -0.2392654 2.054997 
1 1 1    3    6   -8 o   98.679   1.2530  2798.63   63.291  2841.40  122.618  2783.10   73.896   99.188   2.1405   98.169   1.3034 1.018974 2.506059 
1 1 1    3    7   -8 o  435.240   2.2037 54576.93  479.566 54997.80  961.394 54437.51  553.322  436.326   3.8151  434.154   2.2067 2.172333 4.407335 
1 1 1    3    8   -8 o  212.693   1.0775 13042.26  129.793 12953.15  167.566 13175.92  205.212  211.787   1.3699  213.598   1.6635 -1.811035 2.154977 
1 1 1    3    9   -8 o  579.429   2.2314 97464.19  703.875 95497.41  1213.29 98461.93  864.161  574.977   3.6537  583.880   2.5626 -8.902283 4.462761 
1 1 1    3   10   -8 f  271.764   1.2061 21337.45  185.114 21287.63  294.235 21370.08  238.151  271.500   1.8765  272.029   1.5158 -0.5288391 2.412231 
1 1 1    3   11   -8 o  481.132   2.5725 67213.95  622.268 67578.58  721.415 66154.13  1229.91  483.725   2.5823  478.538   4.4501 5.186676 5.145058 
1 1 1    3   12   -8 o  264.630   1.1805 20250.73  168.933 20145.48  296.187 20301.48  205.665  264.117   1.9417  265.142   1.3431 -1.025269 2.360943 
1 1 1    3   13   -8 o  472.138   2.0396 64376.31  556.142 64917.18  790.257 63845.60  782.803  474.103   2.8861  470.173   2.8828 3.929230 4.079200 
1 1 1    3   14   -8 o  1175.66   3.5831 399292.31  2432.91 401186.41  3447.38 397413.00  3433.98  1178.44   5.0652  1172.88   5.0694 5.555542 7.166258 
1 1 1    3   15   -8 o  691.572   2.8011 138234.09  1090.44 138542.30  1394.82 137749.70  1748.73  692.583   3.4871  690.560   4.3846 2.022583 5.602212 
1 1 1    3   16   -8 o  272.572   1.6891 21447.32  250.456 21483.78  434.833 21429.22  306.382  272.741   2.7605  272.403   1.9474 0.3381348 3.378289 
1 1 1    3   17   -8 o  310.075   1.2205 27767.45  218.561 28079.16  308.721 27454.24  309.464  311.820   1.7143  308.330   1.7378 3.489655 2.441061 
1 1 1    3   18   -8 o  356.027   1.5000 36612.54  302.743 36574.54  475.983 36638.36  392.329  355.869   2.3159  356.185   1.9072 -0.3160706 3.000099 
1 1 1    3   19   -8 o  332.283   1.6594 31889.23  318.430 32046.89  448.227 31728.58  452.458  333.112   2.3298  331.453   2.3636 1.658966 3.318822 
1 1 1    3   20   -8 o  594.919   2.3781 102152.30  800.327 102623.50  1268.13 101840.30  1031.76  596.043   3.6838  593.795   3.0085 2.247803 4.756254 
1 1 1    3   21   -8 o  259.682   1.4113 19474.31  211.658 19335.77  297.924 19615.50  300.754  258.750   1.9936  260.615   1.9981 -1.864960 2.822597 
1 1 1    3   22   -8 o  164.676   1.7935  7830.88  170.092  7854.27  250.372  7810.84  231.794  164.903   2.6289  164.449   2.4405 0.4540710 3.587088 
1 1 1    3   23   -8 o  283.762   2.0890 23259.80  342.267 23240.37  489.277 23278.42  478.966  283.645   2.9867  283.879   2.9214 -0.2341309 4.177909 
1 1 1    3   24   -8 o  115.222   2.3256  3835.25  154.727  3850.88  221.182  3820.26  216.527  115.452   3.3172  114.993   3.2603 0.4588928 4.651133 
1 1 1    3   25   -8 o  419.305   3.1376 50921.43  752.255 51550.21  999.263 50098.98  1142.83  422.330   4.0968  416.281   4.7535 6.048828 6.275272 
1 1 1    3   26   -8 o  112.989   2.2728  3694.21  147.944  3606.22  215.512  3772.64  203.458  111.712   3.3403  114.266   3.0830 -2.554298 4.545588 
1 1 1    3   27   -8 o  111.462   2.2061  3588.91  142.013  3588.91  142.013   0.0000   0.0000  111.462   2.2061  ?   ?       ?      ? 
1 1 1    3   28   -8 o  130.942   1.8067  4997.54  107.668  5025.09  119.964  4883.44  244.139  131.901   1.5748  129.983   3.2521 1.918121 3.613343 
1 1 1    3   29   -8 o  211.734   1.9264 12937.72  233.155 12830.46  307.828 13082.06  357.092  210.717   2.5294  212.751   2.9062 -2.033463 3.852784 
1 1 1    3   30   -8 o  199.648   1.5095 11557.49  155.506 11425.73  295.433 11607.98  182.893  198.833   2.5727  200.463   1.5797 -1.629944 3.018959 
1 1 1    3   31   -8 o  185.056   2.0540  9840.01  215.950  9575.32  279.458 10232.35  340.232  182.004   2.6586  188.108   3.1317 -6.104034 4.108010 
1 1 1    3   32   -8 o  104.878   2.0807  3182.56  122.683  3173.17  197.419  3188.47  156.589  104.735   3.2637  105.021   2.5817 -0.2862930 4.161343 
1 1 1    3   33   -8 o  111.128   2.1816  3548.90  139.548  3268.93  188.413  3889.10  207.695  106.306   3.0688  115.950   3.1015 -9.644348 4.363111 
1 1 1    3   34   -8 o   79.636   2.9836  1895.62  132.036  2108.63  171.428  1584.98  207.021   85.353   3.4776   73.919   4.8492 11.43390 5.967271 
1 1 1    3   35   -8 o  122.134   1.9296  4323.12  134.504  4251.69  205.790  4376.39  177.717  121.237   2.9390  123.031   2.5011 -1.793884 3.859199 
1 1 1    3   36   -8 o  169.136   2.0154  8256.71  196.538  7985.18  268.653  8569.36  288.278  166.156   2.7996  172.116   2.9000 -5.960464 4.030863 
1 1 1    3   37   -8 o  204.517   1.6922 12086.24  199.878   0.0000   0.0000 12086.24  199.878  ?   ?   204.517   1.6922      ?      ? 
1 1 1    3   38   -8 o  133.774   1.9468  5172.56  150.412   0.0000   0.0000  5172.56  150.412  ?   ?   133.774   1.9468      ?      ? 
1 1 1    3   39   -8 o  149.641   2.2664  6483.51  195.773  6778.53  279.182  6198.09  274.605  152.996   3.1595  146.287   3.2503 6.709030 4.532853 
1 1 1    3   40   -8 o  197.266   2.1094 11286.76  238.488 11408.45  319.134 11132.86  358.904  198.509   2.7836  196.023   3.1702 2.486618 4.218845 
1 1 1    3   41   -8 o   86.979   2.9690  2213.94  143.029  2149.60  236.965  2250.81  179.393   85.890   4.7770   88.069   3.5269 -2.178886 5.937952 
1 1 1    3   42   -8 f   77.231   3.7894  1734.56  169.023   0.0000   0.0000  1734.56  169.023  ?   ?    77.231   3.7894      ?      ? 
1 1 1    3   43   -8 o  108.328   2.6171  3403.14  163.734   0.0000   0.0000  3403.14  163.734  ?   ?   108.328   2.6171      ?      ? 
1 1 1    3   44   -8 o  132.740   1.9710  5103.82  151.100   0.0000   0.0000  5103.82  151.100  ?   ?   132.740   1.9710      ?      ? 
1 1 1    3   45   -8 o   65.694   3.6474  1292.68  129.923  1241.30  223.758  1318.81  159.579   64.387   6.0172   67.002   4.1239 -2.614418 7.294719 
1 1 1    3   46   -8 o   22.922   6.9193   50.385  161.767   65.786  219.949   32.239  238.754   22.975   9.6895   22.869   9.8802 0.1066666 13.83852 
1 1 1    3   47   -8 o   56.428   4.8632  954.672  158.488   0.0000   0.0000  954.672  158.488  ?   ?    56.428   4.8632      ?      ? 
1 1 1    3   48   -8 o   64.826   4.2890  1255.78  160.577   0.0000   0.0000  1255.78  160.577  ?   ?    64.826   4.2890      ?      ? 
1 1 1    3   49   -8 o   38.127   7.4026  479.224  157.128   0.0000   0.0000  479.224  157.128  ?   ?    38.127   7.4026      ?      ? 
1 1 1    3   50   -8 o   65.895   4.2697  1308.13  162.494   0.0000   0.0000  1308.13  162.494  ?   ?    65.895   4.2697      ?      ? 
1 1 1    3   51   -8 o   67.507   4.3820  1385.62  170.849   0.0000   0.0000  1385.62  170.849  ?   ?    67.507   4.3820      ?      ? 
1 1 1    3    0   -9 o  395.212   2.5161 45118.47  573.929 45271.26  825.093 44975.24  798.858  395.858   3.6096  394.566   3.5062 -0.000000 0.000000 
1 1 1    3    1   -9 o   86.274   1.2422  2155.91   56.628  2133.80  103.437  2165.38   67.670   85.955   2.0836   86.592   1.3531 -0.6368027 2.484415 
1 1 1    3    2   -9 o  529.877   2.1192 81004.83  638.664 80562.91  832.518 81636.84  995.625  528.135   2.7294  531.620   3.2427 -3.485718 4.238480 
1 1 1    3    3   -9 o   73.114   1.1241  1524.75   45.655  1476.85   56.795  1612.23   76.752   71.512   1.3751   74.717   1.7786 -3.204552 2.248235 
1 1 1    3    4   -9 o  411.542   1.5141 48914.32  359.876 48792.75  508.632 49036.20  509.250  411.030   2.1426  412.054   2.1399 -1.024170 3.028195 
1 1 1    3    5   -9 o  239.386   1.1646 16549.85  157.784 16547.28  249.371 16551.57  203.757  239.369   1.8038  239.403   1.4737 -0.3440857E-01 2.329259 
1 1 1    3    6   -9 o  856.463   4.2547 212203.50  1695.57 212334.59  1900.63 211692.59  3752.78  857.340   3.8385  855.586   7.5946 1.753601 8.509498 
1 1 1    3    7   -9 o  333.118   1.4508 32108.92  273.743 32366.58  354.803 31729.95  430.288  334.775   1.8351  331.460   2.2477 3.315399 2.901670 
1 1 1    3    8   -9 o  259.520   1.0648 19449.72  159.587 19466.60  226.798 19433.16  224.598  259.631   1.5125  259.408   1.4991 0.2230225 2.129565 
1 1 1    3    9   -9 o  374.704   1.4071 40548.22  304.501 40683.32  430.141 40412.50  431.120  375.330   1.9843  374.078   1.9955 1.251495 2.814167 
1 1 1    3   10   -9 o  125.390   1.3980  4540.40  101.243  4540.40  101.243   0.0000   0.0000  125.390   1.3980  ?   ?       ?      ? 
1 1 1    3   11   -9 o  546.801   2.1100 86352.53  626.546 86357.59  1091.05 86350.03  765.318  546.799   3.4549  546.804   2.4234 -0.4760742E-02 4.220070 
1 1 1    3   12   -9 o  635.183   2.8801 116532.50  1056.45 116096.50  1482.52 116982.30  1505.83  633.977   4.0489  636.389   4.0970 -2.411987 5.760171 
1 1 1    3   13   -9 o  706.820   2.3556 144193.50  950.981 144971.70  1459.05 143618.70  1253.92  708.468   3.5659  705.172   3.0789 3.295654 4.711126 
1 1 1    3   14   -9 o  203.641   1.3378 12012.95  122.718 11916.98  283.150 12035.15  136.172  203.135   2.4135  204.147   1.1549 -1.011841 2.675597 
1 1 1    3   15   -9 o  487.857   1.6562 68758.95  461.476 68573.21  706.745 68896.98  609.295  487.279   2.5113  488.434   2.1599 -1.155457 3.312384 
1 1 1    3   16   -9 f  177.659   1.7179  9114.86  176.264  9114.86  176.264   0.0000   0.0000  177.659   1.7179  ?   ?       ?      ? 
1 1 1    3   17   -9 o  342.217   1.9368 33851.90  359.874 33906.98  439.705 33740.14  626.318  342.647   2.2219  341.787   3.1729 0.8601379 3.873516 
1 1 1    3   18   -9 o  446.944   1.8231 57676.34  462.727 57603.41  601.722 57781.88  723.869  446.604   2.3329  447.284   2.8021 -0.6804199 3.646126 
1 1 1    3   19   -9 o  284.107   1.7875 23258.69  277.924 23145.87  341.755 23478.99  477.578  283.099   2.0902  285.116   2.9003 -2.016907 3.574991 
1 1 1    3   20   -9 o  558.738   2.4278 90197.48  783.117 89435.17  1120.90 90924.37  1094.56  556.429   3.4880  561.047   3.3780 -4.618896 4.855562 
1 1 1    3   21   -9 o   14.872   4.7626 -96.7369   92.314 -10.5318  122.771 -208.8827  140.029   16.586   7.1249   13.157   6.3218 3.429497 9.525219 
1 1 1    3   22   -9 o  752.611   3.8006 164427.80  1412.68 165084.59  1623.04 162375.09  2869.16  755.916   3.7177  749.305   6.6300 6.611755 7.601139 
1 1 1    3   23   -9 o  194.874   1.6701 10967.79  187.926 11017.55  268.879 10920.26  262.761  195.306   2.3837  194.443   2.3398 0.8633575 3.340206 
1 1 1    3   24   -9 o  410.336   2.7500 48667.30  651.393 49008.87  908.846 48306.49  934.091  411.822   3.8212  408.850   3.9559 2.971832 5.500005 
1 1 1    3   25   -9 o  198.292   1.4618 11386.15  151.272 11289.69  282.328 11425.00  179.159  197.692   2.4728  198.893   1.5597 -1.201874 2.923540 
1 1 1    3   26   -9 o  333.135   2.3160 32078.54  445.136 32249.80  616.602 31892.15  643.281  334.069   3.1958  332.200   3.3529 1.869080 4.631953 
1 1 1    3   27   -9 o  200.289   1.8772 11587.55  217.142 11587.55  217.142   0.0000   0.0000  200.289   1.8772  ?   ?       ?      ? 
1 1 1    3   28   -9 o   54.814   3.3465  871.587  105.525  896.903  144.276  842.464  154.742   55.677   4.4867   53.950   4.9663 1.727779 6.692907 
1 1 1    3   29   -9 o  168.880   1.7846  8259.75  173.306  8031.85  255.334  8454.43  235.991  166.709   2.6519  171.051   2.3888 -4.342133 3.569219 
1 1 1    3   30   -9 o  382.891   2.8772 42038.71  624.566 40491.14  802.889 44410.30  993.915  374.118   3.7159  391.664   4.3939 -17.54596 5.754495 
1 1 1    3   31   -9 o  168.015   1.9454  8058.82  187.512  7271.61  248.380  9102.05  285.931  158.597   2.7117  177.433   2.7902 -18.83627 3.890832 
1 1 1    3   32   -9 o   68.046   2.8164  1336.21  108.411  1362.89  172.385  1318.75  139.436   68.588   4.3518   67.504   3.5765 1.084305 5.632874 
1 1 1    3   33   -9 o   69.039   3.2710  1368.44  129.786  1223.59  174.074  1549.75  194.751   64.964   4.6395   73.114   4.6121 -8.149208 6.541900 
1 1 1    3   34   -9 o  165.393   2.0687  7908.06  196.454  7952.43  294.519  7872.49  263.687  165.796   3.0758  164.989   2.7672 0.8065338 4.137392 
1 1 1    3   35   -9 o   80.228   3.4732  1863.16  160.932   0.0000   0.0000  1863.16  160.932  ?   ?    80.228   3.4732      ?      ? 
1 1 1    3   36   -9 o  215.963   1.6794 13330.73  185.105 13812.86  362.001 13160.04  215.394  218.518   2.8684  213.408   1.7476 5.109787 3.358825 
1 1 1    3   37   -9 o  206.413   2.0531 12333.54  244.561 12149.49  351.289 12506.63  340.679  204.909   2.9684  207.917   2.8371 -3.008072 4.106117 
1 1 1    3   38   -9 o  101.075   3.2703  2958.23  190.587  2828.24  260.499  3107.96  279.571   98.698   4.5699  103.451   4.6792 -4.752243 6.540597 
1 1 1    3   39   -9 o  359.862   2.1630 37448.34  449.550   0.0000   0.0000 37448.34  449.550  ?   ?   359.862   2.1630      ?      ? 
1 1 1    3   40   -9 o   16.200   7.5766 -168.4955  176.445   0.0000   0.0000 -168.4955  176.445  ?   ?    16.200   7.5766      ?      ? 
1 1 1    3   41   -9 o  120.019   2.1129  4167.57  146.458   0.0000   0.0000  4167.57  146.458  ?   ?   120.019   2.1129      ?      ? 
1 1 1    3   42   -9 o   69.052   3.8672  1387.87  154.224   0.0000   0.0000  1387.87  154.224  ?   ?    69.052   3.8672      ?      ? 
1 1 1    3   43   -9 f   34.477   7.5239  369.068  145.606   0.0000   0.0000  369.068  145.606  ?   ?    34.477   7.5239      ?      ? 
1 1 1    3   44   -9 o   42.595   6.4708  542.768  159.186   0.0000   0.0000  542.768  159.186  ?   ?    42.595   6.4708      ?      ? 
1 1 1    3   45   -9 o   84.063   3.7035  2071.57  179.804   0.0000   0.0000  2071.57  179.804  ?   ?    84.063   3.7035      ?      ? 
1 1 1    3   46   -9 o   69.078   4.5002  1417.22  179.537   0.0000   0.0000  1417.22  179.537  ?   ?    69.078   4.5002      ?      ? 
1 1 1    3   47   -9 f   14.974   7.1028 -165.0181  165.211   0.0000   0.0000 -165.0181  165.211  ?   ?    14.974   7.1028      ?      ? 
1 1 1    3   48   -9 f   70.026   4.2600  1466.46  172.286   0.0000   0.0000  1466.46  172.286  ?   ?    70.026   4.2600      ?      ? 
1 1 1    3   49   -9 o   62.826   5.7392  1399.57  181.923  1714.57  235.329  931.714  286.795   74.676   5.4564   50.976   10.099 23.70042 11.47834 
1 1 1    3   50   -9 o   98.102   2.6790  2866.21  139.618  2906.49  252.984  2848.57  167.423   97.935   4.4727   98.270   2.9499 -0.3350143 5.357910 
1 1 1    3   51   -9 o   68.035   3.8205  1509.80  132.837  1295.01  242.100  1602.32  158.890   63.063   6.6472   73.007   3.7683 -9.944439 7.640986 
1 1 1    3    0  -10 o  316.706   2.1587 28979.23  394.731 29243.35  555.708 28710.25  560.794  318.164   3.0248  315.248   3.0808 -0.000000 0.000000 
1 1 1    3    1  -10 o  409.457   2.1307 48540.95  431.452 48201.43  875.960 48649.70  495.760  408.485   3.7130  410.429   2.0914 -1.943970 4.261499 
1 1 1    3    2  -10 o  291.783   1.4081 24589.78  237.266 24365.83  336.764 24810.53  334.339  290.463   2.0075  293.102   1.9751 -2.639099 2.816176 
1 1 1    3    3  -10 o  124.546   1.1929  4479.50   85.805   0.0000   0.0000  4479.50   85.805  ?   ?   124.546   1.1929      ?      ? 
1 1 1    3    4  -10 o  255.506   1.3016 18853.43  192.043 18857.54  273.828 18849.45  269.406  255.533   1.8554  255.479   1.8259 0.5447388E-01 2.603152 
1 1 1    3    5  -10 o  533.446   2.1278 82162.30  645.089 82028.09  840.216 82354.98  1006.80  532.926   2.7299  533.967   3.2647 -1.041321 4.255634 
1 1 1    3    6  -10 o  418.956   1.7265 50643.54  408.611 50930.67  650.242 50456.17  525.281  419.931   2.6811  417.982   2.1760 1.949615 3.452971 
1 1 1    3    7  -10 o  567.547   2.7159 92930.34  726.020 92847.42  817.008 93241.61  1583.05  566.995   2.4949  568.098   4.8249 -1.102844 5.431773 
1 1 1    3    8  -10 o  305.457   1.1947 26942.59  210.749 27245.70  299.734 26646.21  296.383  307.156   1.6896  303.758   1.6894 3.398010 2.389353 
1 1 1    3    9  -10 o  529.389   2.3024 80946.12  703.932 80481.24  996.758 81408.66  994.267  527.872   3.2695  530.905   3.2427 -3.033569 4.604800 
1 1 1    3   10  -10 o  485.697   1.7608 68127.13  493.922 68471.08  700.773 67787.56  696.270  486.915   2.4919  484.479   2.4884 2.436310 3.521626 
1 1 1    3   11  -10 o  1006.84   3.3056 292742.41  1904.60 292128.59  2527.06 293549.50  2897.90  1005.64   4.3510  1008.04   4.9776 -2.395020 6.611185 
1 1 1    3   12  -10 o  262.235   1.2429 19822.27  186.012 20095.53  286.873 19624.03  244.339  263.791   1.8830  260.680   1.6229 3.111115 2.485861 
1 1 1    3   13  -10 f  120.151   1.4376  4235.71   82.602  4289.41   93.812  4050.44  174.257  121.875   1.3328  118.427   2.5477 3.448097 2.875274 
1 1 1    3   14  -10 o  209.000   1.0884 12609.26  129.676 12583.00  170.150 12645.66  200.295  208.741   1.4114  209.259   1.6573 -0.5178528 2.176834 
1 1 1    3   15  -10 o  358.466   1.5342 37154.68  311.441 37341.50  403.201 36878.35  490.375  359.587   1.9415  357.345   2.3761 2.242615 3.068379 
1 1 1    3   16  -10 o  258.367   1.5061 19233.46  198.790 19182.60  231.997 19373.93  385.588  257.731   1.5586  259.003   2.5777 -1.272186 3.012271 
1 1 1    3   17  -10 o  393.625   2.0993 44439.43  411.152 44141.92  472.762 45362.92  832.939  390.957   2.0938  396.292   3.6393 -5.335083 4.198576 
1 1 1    3   18  -10 o  237.331   1.6543 16252.36  215.526 16219.11  266.090 16315.77  367.498  236.983   1.9441  237.679   2.6772 -0.6962128 3.308618 
1 1 1    3   19  -10 o  1096.84   4.6317 347718.59  2932.20 349419.81  4227.41 346141.19  4070.55  1099.40   6.6578  1094.27   6.4408 5.131226 9.263430 
1 1 1    3   20  -10 o  189.445   1.7531 10359.43  191.649 10511.88  277.571 10220.54  264.934  190.776   2.5192  188.115   2.4385 2.661179 3.506128 
1 1 1    3   21  -10 o  419.961   2.9487 50894.38  692.221 50704.27  874.312 51213.72  1133.17  418.940   3.6135  420.980   4.6607 -2.040070 5.897403 
1 1 1    3   22  -10 o  110.857   1.5456  3549.36   96.435  3549.94  154.854  3548.99  123.251  110.863   2.4185  110.852   1.9251 0.1041412E-01 3.091193 
1 1 1    3   23  -10 o   58.076   3.0742  973.257  102.961  947.977  141.103  1002.04  150.575   57.272   4.2659   58.881   4.4278 -1.608749 6.148454 
1 1 1    3   24  -10 o  352.225   2.3923 36062.41  415.050 36261.41  476.445 35436.06  845.250  354.309   2.3283  350.141   4.1798 4.167877 4.784561 
1 1 1    3   25  -10 o  276.481   1.7098 22055.66  261.925 21987.86  326.884 22177.26  437.790  275.903   2.0514  277.060   2.7359 -1.156982 3.419600 
1 1 1    3   26  -10 o  341.434   1.9594 33868.55  366.343 33097.15  623.584 34275.10  452.700  338.417   3.1905  344.451   2.2756 -6.034088 3.918884 
1 1 1    3   27  -10 o  198.271   1.7964 11417.78  204.112 10814.21  303.484 11916.29  275.812  193.454   2.7163  203.089   2.3515 -9.635010 3.592715 
1 1 1    3   28  -10 o   20.253   5.2901  -6.3005  108.535 -320.5073  169.410  212.453  141.354   13.487   6.5893   27.018   8.2777 -13.53078 10.58016 
1 1 1    3   29  -10 o  102.197   2.6262  3029.41  154.267  2926.26  227.334  3117.45  210.026  100.571   3.9139  103.823   3.5026 -3.252892 5.252310 
1 1 1    3   30  -10 o  126.723   2.4193  4636.86  176.887  4467.84  243.515  4825.67  257.371  124.284   3.3925  129.161   3.4502 -4.877502 4.838701 
1 1 1    3   31  -10 o  253.885   2.3661 18617.99  342.353 18468.32  448.260 18827.50  530.347  252.699   3.0714  255.071   3.6001 -2.372498 4.732266 
1 1 1    3   32  -10 o  104.172   2.1381  3034.00  111.028  3347.55  228.405  2936.99  127.048  107.538   3.6776  100.806   2.1822 6.731285 4.276268 
1 1 1    3   33  -10 o   12.588   6.1602 -289.5883  149.919 -289.5883  149.919   0.0000   0.0000   12.588   6.1602  ?   ?       ?      ? 
1 1 1    3   34  -10 o  264.316   2.2499 20208.42  341.418 20158.26  458.306 20270.96  511.784  263.975   3.0061  264.656   3.3483 -0.6804504 4.499738 
1 1 1    3   35  -10 o   60.591   4.1122  1063.81  143.901   0.0000   0.0000  1063.81  143.901  ?   ?    60.591   4.1122      ?      ? 
1 1 1    3   36  -10 o   38.368   11.334  444.599  268.548   0.0000   0.0000  444.599  268.548  ?   ?    38.368   11.334      ?      ? 
1 1 1    3   37  -10 o  132.446   3.6285  5081.72  277.559   0.0000   0.0000  5081.72  277.559  ?   ?   132.446   3.6285      ?      ? 
1 1 1    3   38  -10 o  262.607   2.2811 19942.76  345.974   0.0000   0.0000 19942.76  345.974  ?   ?   262.607   2.2811      ?      ? 
1 1 1    3   39  -10 o  188.956   2.2491 10327.03  245.450   0.0000   0.0000 10327.03  245.450  ?   ?   188.956   2.2491      ?      ? 
1 1 1    3   40  -10 o  254.376   2.2016 18720.03  323.445   0.0000   0.0000 18720.03  323.445  ?   ?   254.376   2.2016      ?      ? 
1 1 1    3   41  -10 o  161.348   2.3273  7536.51  216.873   0.0000   0.0000  7536.51  216.873  ?   ?   161.348   2.3273      ?      ? 
1 1 1    3   42  -10 o  130.614   2.4698  4943.92  186.312   0.0000   0.0000  4943.92  186.312  ?   ?   130.614   2.4698      ?      ? 
1 1 1    3   43  -10 o  151.822   2.0274  6607.54  167.105  6956.42  294.559  6441.97  202.918  154.590   3.2992  149.054   2.3572 5.535522 4.054732 
1 1 1    3   44  -10 o  109.497   2.6907  3485.86  170.162   0.0000   0.0000  3485.86  170.162  ?   ?   109.497   2.6907      ?      ? 
1 1 1    3   45  -10 o  129.256   2.4066  4858.37  179.658   0.0000   0.0000  4858.37  179.658  ?   ?   129.256   2.4066      ?      ? 
1 1 1    3   46  -10 o   66.003   4.6605  1341.16  177.584  1322.94  253.533  1358.71  248.818   65.493   6.7027   66.513   6.4772 -1.020004 9.320968 
1 1 1    3   47  -10 o   35.480   6.9539  422.665  142.307  522.903  241.596  369.411  176.097   38.123   10.593   32.837   9.0122 5.285828 13.90773 
1 1 1    3   48  -10 f   35.186   5.9704  492.296  117.349  223.405  245.643  571.807  133.576   27.113   10.677   43.259   5.3465 -16.14648 11.94072 
1 1 1    3   49  -10 o   50.135   5.3220  853.895  122.122  760.287  249.141  883.499  140.109   46.173   9.6533   54.097   4.4844 -7.924023 10.64404 
1 1 1    3   50  -10 o   93.771   3.7447  2715.13  199.352  2677.66  258.894  2769.71  312.451   93.554   4.7915   93.987   5.7561 -0.4334412 7.489399 
1 1 1    3   51  -10 o   34.945   6.8091  469.418  136.121  467.368  248.790  470.293  162.620   33.361   11.067   36.530   7.9351 -3.168243 13.61813 
1 1 1    3    0  -11 o  585.574   3.9756 99016.47  1340.07 99878.26  1978.40 98285.88  1821.60  587.914   5.8279  583.234   5.4089 -0.000000 0.000000 
1 1 1    3    1  -11 o   43.612   1.5153  545.681   37.898  578.575   57.753  520.804   50.224   44.759   2.2342   42.466   2.0478 2.292942 3.030670 
1 1 1    3    2  -11 o  545.725   2.2214 86103.68  684.730 85610.83  1087.00 86427.89  881.641  544.417   3.4571  547.033   2.7906 -2.616028 4.442839 
1 1 1    3    3  -11 o  134.631   1.2276  5195.00   91.337  5101.69  113.217  5368.93  154.571  132.914   1.4749  136.348   1.9629 -3.434296 2.455237 
1 1 1    3    4  -11 o  436.881   2.3001 55025.25  502.933 54922.16  580.662 55334.82  1006.26  436.087   2.3055  437.675   3.9808 -1.588501 4.600233 
1 1 1    3    5  -11 o  307.957   1.2062 27384.82  214.519 27594.90  306.010 27181.81  300.808  309.118   1.7141  306.796   1.6977 2.322266 2.412489 
1 1 1    3    6  -11 o  1032.00   3.6529 307689.00  2177.11 308699.19  3097.14 306702.31  3060.99  1033.67   5.1879  1030.33   5.1440 3.344482 7.305829 
1 1 1    3    7  -11 o  450.158   1.6595 58521.09  431.430 58986.43  612.003 58061.38  608.283  451.937   2.3447  448.379   2.3490 3.557831 3.318932 
1 1 1    3    8  -11 o  647.820   2.3039 121214.30  861.964 122337.90  1218.41 120088.60  1219.59  650.825   3.2415  644.813   3.2749 6.011841 4.607828 
1 1 1    3    9  -11 o  508.197   1.8496 74585.94  542.875 74912.15  770.249 74263.95  765.258  509.301   2.6186  507.093   2.6130 2.208130 3.699296 
1 1 1    3   10  -11 o  790.546   4.1571 181160.70  1666.50 179338.00  3255.43 181808.00  1939.96  787.738   7.1555  793.354   4.2339 -5.616150 8.314286 
1 1 1    3   11  -11 o  570.225   2.2858 94011.85  736.947 93417.45  1166.30 94406.91  950.804  568.713   3.5508  571.737   2.8795 -3.023376 4.571628 
1 1 1    3   12  -11 o  359.659   1.5733 37372.36  319.716 37431.48  411.698 37282.53  507.469  360.021   1.9800  359.298   2.4455 0.7229309 3.146578 
1 1 1    3   13  -11 o  501.646   2.0547 72612.45  582.387 72359.20  749.004 72999.67  926.157  500.548   2.5909  502.744   3.1897 -2.196136 4.109398 
1 1 1    3   14  -11 o  1179.45   4.4790 401586.09  3007.77 399619.81  3931.60 404360.81  4670.44  1176.04   5.7885  1182.86   6.8366 -6.820923 8.957988 
1 1 1    3   15  -11 o  430.962   1.7531 53577.95  427.504 53943.47  677.145 53335.70  551.254  432.178   2.7129  429.746   2.2210 2.431854 3.506112 
1 1 1    3   16  -11 o  208.010   1.2302 12494.50  147.534 12509.78  215.085 12480.92  202.749  208.129   1.7893  207.890   1.6887 0.2395020 2.460341 
1 1 1    3   17  -11 o  539.717   2.3773 84160.26  740.389 83602.08  1067.61 84677.45  1027.67  537.990   3.4360  541.445   3.2863 -3.455017 4.754598 
1 1 1    3   18  -11 o  744.603   3.2329 160127.00  1389.96 162878.80  1992.77 157519.70  1939.70  750.829   4.5955  738.378   4.5485 12.45135 6.465870 
1 1 1    3   19  -11 o  226.112   1.8966 14735.67  245.788 15014.37  372.849 14521.48  326.865  227.996   2.8315  224.228   2.5240 3.768387 3.793188 
1 1 1    3   20  -11 o  212.947   1.7545 13048.84  203.449 13242.44  353.610 12953.04  248.743  214.116   2.8595  211.777   2.0337 2.338974 3.508939 
1 1 1    3   21  -11 o   90.283   1.8968  2366.63   96.590  2296.12  152.951  2413.40  124.573   89.156   2.9704   91.410   2.3596 -2.254021 3.793592 
1 1 1    3   22  -11 o  404.379   2.7215 47260.43  634.304 47106.95  926.436 47395.87  870.278  403.753   3.9730  405.006   3.7206 -1.253387 5.443084 
1 1 1    3   23  -11 o   84.530   2.5631  2008.41  123.201  2576.82  191.832  1609.38  160.730   94.434   3.5173   74.627   3.7292 19.80653 5.126238 
1 1 1    3   24  -11 o   95.804   2.4497  2652.50  135.532  2642.54  192.817  2662.22  190.547   95.625   3.4913   95.982   3.4374 -0.3564758 4.899454 
1 1 1    3   25  -11 o  236.245   1.9255 16121.13  262.717   0.0000   0.0000 16121.13  262.717  ?   ?   236.245   1.9255      ?      ? 
1 1 1    3   26  -11 o  231.306   1.8400 15452.10  245.751 15780.30  352.194 15140.67  343.075  233.698   2.6094  228.914   2.5950 4.784546 3.680057 
1 1 1    3   27  -11 o  193.059   2.1638 10780.38  240.869 10912.19  332.452 10634.73  349.463  194.308   2.9625  191.810   3.1546 2.497406 4.327557 
1 1 1    3   28  -11 o  199.962   1.5395 11528.42  172.688 11451.23  219.140 11654.89  280.502  199.094   1.9058  200.830   2.4184 -1.736862 3.079056 
1 1 1    3   29  -11 o  361.245   1.7878 37700.87  372.584 37394.27  514.043 38040.21  540.800  359.704   2.4744  362.785   2.5811 -3.080261 3.575559 
1 1 1    3   30  -11 o  122.518   2.5925  4339.19  183.443   0.0000   0.0000  4339.19  183.443  ?   ?   122.518   2.5925      ?      ? 
1 1 1    3   31  -11 o  263.459   3.5170 20086.66  535.138   0.0000   0.0000 20086.66  535.138  ?   ?   263.459   3.5170      ?      ? 
1 1 1    3   32  -11 o   39.836   5.9075  523.935  126.655  326.165  217.744  625.062  155.705   33.294   10.286   46.379   5.8129 -13.08563 11.81490 
1 1 1    3   33  -11 o  129.043   2.4811  4810.02  184.225  4256.54  254.561  5418.67  266.946  121.253   3.6351  136.832   3.3779 -15.57870 4.962277 
1 1 1    3   34  -11 o   70.946   4.0891  1460.23  167.342  1366.22  231.303  1563.47  242.403   68.550   5.8423   73.342   5.7227 -4.791824 8.178146 
1 1 1    3   35  -11 o  169.449   2.3363  8299.53  228.481  8723.76  329.643  7907.29  316.973  173.612   3.2876  165.285   3.3205 8.327713 4.672684 
1 1 1    3   36  -11 o  141.066   2.5897  5684.31  209.342  5139.02  275.834  6425.06  321.493  133.206   3.5854  148.925   3.7378 -15.71867 5.179423 
1 1 1    3   37  -11 o   91.281   3.4691  2421.30  182.855  2447.08  257.102  2394.92  260.118   91.779   4.8504   90.783   4.9611 0.9961014 6.938210 
1 1 1    3   38  -11 o  170.481   1.9726  8450.48  181.549  8302.84  318.241  8521.70  221.048  169.303   3.2547  171.660   2.2296 -2.357788 3.945136 
1 1 1    3   39  -11 o   78.356   3.7393  1788.74  168.483  1803.30  250.648  1776.73  227.564   78.613   5.5206   78.099   5.0451 0.5144653 7.478649 
1 1 1    3   40  -11 o   54.647   5.0789  898.268  141.768  841.719  268.852  920.048  166.850   53.154   8.7577   56.139   5.1461 -2.985092 10.15774 
1 1 1    3   41  -11 o  188.958   1.7737 10305.06  169.404 10424.23  334.229 10263.86  196.516  189.545   3.0531  188.372   1.8063 1.173264 3.547457 
1 1 1    3   42  -11 o  155.711   2.2347  7046.08  200.948  7071.41  286.536  7021.56  281.888  155.980   3.1807  155.442   3.1400 0.5380402 4.469481 
1 1 1    3   43  -11 o   65.678   4.2667  1285.61  160.881  1454.41  228.908  1120.86  226.157   70.063   5.6570   61.293   6.3888 8.770130 8.533356 
1 1 1    3   44  -11 o   21.128   6.7252 -80.2039  170.292 -127.4991  223.594 -14.8779  262.781   19.152   8.8069   23.105   10.166 -3.952911 13.45042 
1 1 1    3   45  -11 o   61.271   3.6325  1103.13  128.541   0.0000   0.0000  1103.13  128.541  ?   ?    61.271   3.6325      ?      ? 
1 1 1    3   46  -11 o   62.264   3.7238  1100.06  122.931  1352.99  233.040  1002.54  144.702   66.482   6.0693   58.046   4.3163 8.435558 7.447654 
1 1 1    3   47  -11 o   17.647   6.0614 -352.8988  193.690 -297.9448  255.367 -427.3365  297.208   17.484   8.4351   17.811   8.7071 -0.3268299 12.12287 
1 1 1    3   48  -11 o   31.142   6.5583  356.083  121.838  255.632  255.259  385.720  138.652   28.081   10.935   34.202   7.2445 -6.121691 13.11668 
1 1 1    3   49  -11 o   50.286   5.2994  771.269  145.074  1008.04  262.948  667.659  173.944   54.775   8.3120   45.798   6.5763 8.977142 10.59889 
1 1 1    3   50  -11 o   74.569   4.9675  1714.16  213.936   0.0000   0.0000  1714.16  213.936  ?   ?    74.569   4.9675      ?      ? 
1 1 1    3    0  -12 o  808.407   4.3290 189232.50  1907.85 187548.20  3287.98 190087.50  2342.55  805.619   7.0679  811.194   5.0005 -0.000000 0.000000 
1 1 1    3    1  -12 o  1495.84   6.4732 647114.69  5592.21 649127.69  7939.43 645132.81  7878.09  1498.15   9.1759  1493.54   9.1331 4.606445 12.94647 
1 1 1    3    2  -12 o  440.077   2.2872 55814.43  502.432 55694.40  579.274 56178.96  1009.50  439.145   2.2840  441.009   3.9635 -1.864532 4.574449 
1 1 1    3    3  -12 o  229.375   1.1396 15202.32  148.491 15241.14  193.401 15146.58  231.762  229.733   1.4576  229.017   1.7522 0.7156219 2.279255 
1 1 1    3    4  -12 o  283.963   1.0857 23300.70  176.113 23386.31  232.768 23186.08  269.339  284.574   1.4163  283.352   1.6458 1.222626 2.171309 
1 1 1    3    5  -12 o  525.186   2.6085 79857.86  699.722 80076.59  817.648 79259.38  1352.52  526.561   2.6886  523.811   4.4708 2.749817 5.216950 
1 1 1    3    6  -12 o  192.199   1.1772 10667.93  130.669 10630.01  184.747 10705.88  184.840  191.858   1.6673  192.541   1.6622 -0.6834869 2.354321 
1 1 1    3    7  -12 o  913.301   3.5699 240998.30  1838.99 240834.20  2934.70 241104.30  2359.77  913.005   5.5655  913.598   4.4723 -0.5925293 7.139759 
1 1 1    3    8  -12 o  143.016   1.2131  5907.39  100.171  5875.02  143.092  5938.49  140.276  142.632   1.7371  143.400   1.6937 -0.7686310 2.426133 
1 1 1    3    9  -12 o  1341.87   6.3863 519690.31  3976.50 519046.19  4451.25 522235.81  8849.02  1340.33   5.7502  1343.42   11.405 -3.085449 12.77269 
1 1 1    3   10  -12 o  420.681   1.5555 51108.08  377.920 51163.64  537.066 51053.57  531.892  420.907   2.2093  420.454   2.1904 0.4527283 3.111076 
1 1 1    3   11  -12 o  684.427   2.2841 135196.70  894.919 134557.91  1187.97 136034.80  1360.76  682.567   3.0135  686.287   3.4331 -3.720581 4.568130 
1 1 1    3   12  -12 o  201.695   1.1135 11792.97  126.121 11553.15  202.652 11944.58  161.128  200.014   1.7543  203.376   1.3718 -3.362076 2.226960 
1 1 1    3   13  -12 o  695.904   2.4691 139876.91  992.143 139896.09  1418.41 139858.50  1388.28  695.949   3.5289  695.859   3.4544 0.9027100E-01 4.938208 
1 1 1    3   14  -12 o  318.983   1.8032 29335.94  285.628 29484.68  578.146 29287.91  328.520  319.507   3.1331  318.459   1.7862 1.047913 3.606471 
1 1 1    3   15  -12 o  888.888   4.9383 228097.00  2401.52 227467.00  2953.74 229325.70  4124.90  887.222   5.7644  890.554   8.0199 -3.331726 9.876587 
1 1 1    3   16  -12 o  265.130   1.7530 20241.54  253.831 20486.35  438.304 20118.01  311.357  266.327   2.8495  263.933   2.0426 2.393311 3.506001 
1 1 1    3   17  -12 o  270.417   1.7922 21218.47  261.073 20845.63  459.625 21396.06  317.213  268.647   2.9624  272.187   2.0179 -3.539764 3.584332 
1 1 1    3   18  -12 f  515.659   2.5718 77091.71  681.259 77424.21  799.051 76206.69  1303.62  517.747   2.6722  513.571   4.3951 4.174927 5.143682 
1 1 1    3   19  -12 o  805.587   3.5361 187501.41  1644.27 189065.80  2369.80 186049.09  2283.32  808.817   5.0731  802.357   4.9273 6.459961 7.072153 
1 1 1    3   20  -12 o  416.925   2.8292 50238.55  680.886 49793.80  976.425 50659.52  949.955  415.124   4.0726  418.726   3.9282 -3.602051 5.658339 
1 1 1    3   21  -12 o  504.513   2.2763 73506.52  663.142 74999.06  949.499 72085.18  926.570  509.510   3.2267  499.516   3.2118 9.994812 4.552682 
1 1 1    3   22  -12 o   85.798   3.0705  2107.47  150.626  2265.96  233.126  1993.88  197.350   88.537   4.5591   83.059   4.1140 5.477310 6.140908 
1 1 1    3   23  -12 o  328.872   2.0323 31197.38  363.243 31099.24  443.710 31396.79  632.507  328.116   2.3415  329.628   3.3224 -1.512115 4.064599 
1 1 1    3   24  -12 o  186.595   1.5639 10056.05  168.535   0.0000   0.0000 10056.05  168.535  ?   ?   186.595   1.5639      ?      ? 
1 1 1    3   25  -12 o   33.413   6.0470  321.030  111.819  388.788  195.979  288.325  136.157   35.907   9.3560   30.919   7.6634 4.988428 12.09394 
1 1 1    3   26  -12 o  103.801   2.4242  3136.73  125.661  3158.69  145.255  3071.42  250.523  104.558   2.4054  103.045   4.2095 1.512848 4.848332 
1 1 1    3   27  -12 o   57.074   4.3215  993.449  135.028  740.035  209.487  1173.57  176.612   50.479   7.1856   63.668   4.8030 -13.18913 8.642971 
1 1 1    3   28  -12 o  435.851   2.8397 54913.86  714.822 54913.86  714.822   0.0000   0.0000  435.851   2.8397  ?   ?       ?      ? 
1 1 1    3   29  -12 o   98.303   2.5320  2793.22  143.755   0.0000   0.0000  2793.22  143.755  ?   ?    98.303   2.5320      ?      ? 
1 1 1    3   30  -12 f  131.194   1.9842  4991.80  132.871  4944.73  256.922  5008.98  155.243  130.730   3.4028  131.658   2.0416 -0.9277802 3.968324 
1 1 1    3   31  -12 o   86.160   5.5324  2155.65  275.299   0.0000   0.0000  2155.65  275.299  ?   ?    86.160   5.5324      ?      ? 
1 1 1    3   32  -12 o   77.427   3.3955  1779.03  140.311  1850.10  170.660  1630.78  246.483   79.938   3.6965   74.916   5.6968 5.022072 6.790986 
1 1 1    3   33  -12 o   94.738   3.3562  2597.55  183.637   0.0000   0.0000  2597.55  183.637  ?   ?    94.738   3.3562      ?      ? 
1 1 1    3   34  -12 o  192.342   1.8878 10738.49  201.022 10558.46  334.670 10840.10  251.432  191.035   3.0333  193.648   2.2481 -2.613327 3.775595 
1 1 1    3   35  -12 o  170.654   2.1746  8418.56  214.325   0.0000   0.0000  8418.56  214.325  ?   ?   170.654   2.1746      ?      ? 
1 1 1    3   36  -12 o  149.217   2.5714  6439.98  221.599  6439.98  221.599   0.0000   0.0000  149.217   2.5714  ?   ?       ?      ? 
1 1 1    3   37  -12 o   89.998   3.4721  2351.65  179.784  2385.22  267.005  2323.80  243.169   90.562   5.1049   89.435   4.7078 1.126221 6.944297 
1 1 1    3   38  -12 o  230.497   1.9055 15288.27  238.823 15641.25  417.052 15116.04  291.317  232.378   3.1075  228.616   2.2063 3.761963 3.811096 
1 1 1    3   39  -12 o  141.619   2.3982  5812.07  194.081  5848.03  297.209  5785.33  256.263  141.958   3.6251  141.281   3.1406 0.6765289 4.796326 
1 1 1    3   40  -12 o   37.083   8.0462  423.656  167.373   0.0000   0.0000  423.656  167.373  ?   ?    37.083   8.0462      ?      ? 
1 1 1    3   41  -12 o  123.934   2.7509  4454.48  196.898   0.0000   0.0000  4454.48  196.898  ?   ?   123.934   2.7509      ?      ? 
1 1 1    3   42  -12 o   55.263   5.1815  914.729  165.066  932.765  241.844  898.998  225.854   55.719   7.5153   54.806   7.1353 0.9128151 10.36300 
1 1 1    3   43  -12 o   16.553   5.6480 -332.0322  162.140 -250.9099  233.426 -407.6628  225.386   17.746   8.4251   15.360   7.5245 2.386123 11.29604 
1 1 1    3   44  -12 o  115.668   2.4031  3937.39  151.130  3848.57  260.582  3982.40  185.518  114.414   3.9435  116.922   2.7473 -2.508133 4.806103 
1 1 1    3   45  -12 o   51.896   5.6044  864.176  161.678  793.962  241.840  920.916  217.401   49.183   8.8387   54.608   6.8932 -5.424728 11.20888 
1 1 1    3   46  -12 o   83.983   3.4986  2109.20  169.075  2361.55  250.765  1898.86  228.939   88.589   4.9012   79.377   4.9939 9.212311 6.997189 
1 1 1    3   47  -12 o   22.707   8.7063  142.642  159.978   0.0000   0.0000  142.642  159.978  ?   ?    22.707   8.7063      ?      ? 
1 1 1    3   48  -12 o   56.176   4.7931  957.359  155.507   0.0000   0.0000  957.359  155.507  ?   ?    56.176   4.7931      ?      ? 
1 1 1    3   49  -12 o   76.386   4.7034  1778.02  207.496   0.0000   0.0000  1778.02  207.496  ?   ?    76.386   4.7034      ?      ? 
1 1 1    3   50  -12 o   53.323   5.3293  1043.28  129.060  771.153  248.058  1144.29  151.125   45.305   9.7678   61.342   4.2657 -16.03667 10.65859 
1 1 1    3    0  -13 o  630.648   2.8073 114886.30  1022.22 115386.20  1434.33 114370.30  1457.23  632.044   3.9296  629.251   4.0101 -0.000000 0.000000 
1 1 1    3    1  -13 o  193.859   1.0518 10857.13  116.484 10882.38  153.906 10823.28  178.223  194.123   1.3728  193.594   1.5940 0.5288086 2.103628 
1 1 1    3    2  -13 o  815.635   2.7241 192125.50  1269.45 192356.50  1943.48 191953.59  1676.50  816.049   4.1236  815.222   3.5608 0.8265381 5.448227 
1 1 1    3    3  -13 o  292.495   1.3506 24712.00  224.196 24734.42  291.268 24679.40  351.198  292.660   1.7232  292.331   2.0801 0.3288269 2.701208 
1 1 1    3    4  -13 o   40.294   2.4911  468.882   57.418  469.438   87.479  468.461   76.107   40.315   3.7571   40.274   3.2720 0.4087067E-01 4.982158 
1 1 1    3    5  -13 o  191.532   1.4208 10630.84  132.714 10525.72  274.744 10662.83  151.571  190.909   2.4918  192.155   1.3658 -1.245972 2.841565 
1 1 1    3    6  -13 o  740.191   3.0511 158675.70  1268.69 160078.30  1620.04 156451.41  2040.13  744.458   3.7679  735.924   4.8000 8.533081 6.102210 
1 1 1    3    7  -13 o  585.085   2.5563 98871.96  863.779 99689.05  1224.48 98062.58  1218.68  587.491   3.6088  582.679   3.6214 4.812744 5.112530 
1 1 1    3    8  -13 o  1168.75   5.5966 395614.41  3317.42 396450.31  3860.80 393256.09  6485.10  1171.40   5.7067  1166.11   9.6292 5.287720 11.19326 
1 1 1    3    9  -13 o  292.387   1.4373 24687.78  242.701 24776.63  345.559 24601.27  340.949  292.906   2.0427  291.868   2.0226 1.038208 2.874670 
1 1 1    3   10  -13 o  911.347   4.3874 240127.00  2042.08 240278.09  2384.89 239711.80  3953.33  912.021   4.5277  910.672   7.5165 1.349182 8.774845 
1 1 1    3   11  -13 o  295.128   1.5605 25155.94  265.902 25222.58  371.805 25086.18  380.427  295.528   2.1784  294.728   2.2349 0.8007813 3.120930 
1 1 1    3   12  -13 o  646.563   3.3626 119864.00  1090.46 118955.80  1258.59 122598.30  2183.80  641.754   3.3957  651.372   5.8050 -9.617737 6.725209 
1 1 1    3   13  -13 o  356.330   1.6149 36662.23  324.152 36636.28  414.874 36702.89  519.372  356.173   2.0168  356.488   2.5226 -0.3155212 3.229725 
1 1 1    3   14  -13 o  565.963   3.4886 91987.51  988.982 91430.22  1141.14 93669.24  1982.34  562.613   3.5119  569.313   6.0290 -6.700317 6.977239 
1 1 1    3   15  -13 o  202.986   1.7613 11866.87  189.130 11982.74  346.482 11817.69  225.726  203.684   2.9454  202.288   1.9321 1.395920 3.522518 
1 1 1    3   16  -13 o  344.102   2.3552 34194.84  467.778 34405.95  674.331 33999.02  649.446  345.124   3.3831  343.080   3.2776 2.043945 4.710441 
1 1 1    3   17  -13 o  361.032   2.4262 37654.59  505.165 37613.45  734.247 37691.57  696.101  360.841   3.5232  361.223   3.3367 -0.3811951 4.852467 
1 1 1    3   18  -13 o  105.494   2.3101  3179.92   99.851  3264.59  261.559  3165.47  108.033  106.294   4.2606  104.693   1.7867 1.600555 4.620109 
1 1 1    3   19  -13 o  398.171   2.4043 45813.40  503.948 45773.07  928.684 45830.24  599.966  398.011   4.0401  398.330   2.6079 -0.3191528 4.808680 
1 1 1    3   20  -13 o  226.959   1.6620 14960.76  206.395 14618.95  351.880 15140.04  254.836  224.963   2.7083  228.955   1.9272 -3.992126 3.324004 
1 1 1    3   21  -13 o  385.081   2.8529 42830.65  625.092 42708.32  816.228 43004.15  972.084  384.443   3.6762  385.719   4.3636 -1.275848 5.705738 
1 1 1    3   22  -13 o   72.200   3.5447  1506.44  147.811  1506.44  147.811   0.0000   0.0000   72.200   3.5447  ?   ?       ?      ? 
1 1 1    3   23  -13 o  196.653   1.9185 11315.26  189.213 11463.82  219.527 10885.99  373.162  199.220   1.9080  194.085   3.3290 5.134781 3.837032 
1 1 1    3   24  -13 o  400.953   2.4375 46647.17  516.206 46914.57  616.926 46022.83  942.664  402.954   2.6509  398.953   4.0912 4.001343 4.874951 
1 1 1    3   25  -13 o  363.779   2.1921 38310.02  427.918 38415.42  517.470 38082.07  761.034  364.631   2.4572  362.926   3.6308 1.705353 4.384131 
1 1 1    3   26  -13 o  354.683   2.4831 36351.51  508.640 36351.51  508.640   0.0000   0.0000  354.683   2.4831  ?   ?       ?      ? 
1 1 1    3   27  -13 o  162.577   1.6507  7635.23  154.994  7635.23  154.994   0.0000   0.0000  162.577   1.6507  ?   ?       ?      ? 
1 1 1    3   28  -13 o  304.308   2.2500 26760.64  395.436 26760.64  395.436   0.0000   0.0000  304.308   2.2500  ?   ?       ?      ? 
1 1 1    3   29  -13 o   50.024   4.5646  728.930  117.979  724.216  223.717  730.747  138.857   49.836   7.7726   50.211   4.7883 -0.3751488 9.129176 
1 1 1    3   30  -13 o  122.158   2.2980  4368.74  148.510  4448.55  178.296  4187.91  268.379  124.049   2.4886  120.267   3.8638 3.782005 4.595919 
1 1 1    3   31  -13 o  113.614   2.3248  3641.33  131.966  3922.91  269.060  3552.14  151.431  116.377   4.0031  110.851   2.3653 5.526871 4.649676 
1 1 1    3   32  -13 o   85.350   3.0245  2143.20  121.084  2056.11  262.300  2166.78  136.498   84.142   5.3976   86.559   2.7304 -2.417732 6.048925 
1 1 1    3   33  -13 f  182.469   2.0135  9725.22  201.797  9317.63  339.461  9947.97  250.953  179.435   3.2757  185.503   2.3424 -6.067795 4.026991 
1 1 1    3   34  -13 o   67.821   4.0669  1380.72  143.118  1441.77  170.840  1237.04  262.079   70.527   4.1942   65.114   6.9690 5.413010 8.133755 
1 1 1    3   35  -13 o  214.246   1.9777 13364.15  229.020 13524.45  279.404 13035.92  399.804  216.287   2.2367  212.206   3.2622 4.080887 3.955332 
1 1 1    3   36  -13 o  131.684   2.4024  5059.58  170.119  4919.91  299.601  5126.04  206.667  130.260   3.9824  133.109   2.6883 -2.849213 4.804871 
1 1 1    3   37  -13 f  119.067   2.6552  4213.11  167.364  3849.65  298.048  4380.50  202.263  115.118   4.4829  123.016   2.8469 -7.898430 5.310456 
1 1 1    3   38  -13 o   74.991   3.0034  1620.00  128.686  1727.56  199.499  1543.35  168.407   77.078   4.4815   72.904   3.9996 4.174042 6.006735 
1 1 1    3   39  -13 o   89.629   2.5311  2345.48  129.048  2250.62  198.354  2415.10  169.930   88.004   3.9026   91.254   3.2243 -3.250145 5.062201 
1 1 1    3   40  -13 o   37.165   8.3295  428.234  174.361  428.234  174.361   0.0000   0.0000   37.165   8.3295  ?   ?       ?      ? 
1 1 1    3   41  -13 o   40.232   7.4517  497.845  166.771   0.0000   0.0000  497.845  166.771  ?   ?    40.232   7.4517      ?      ? 
1 1 1    3   42  -13 o   20.816   6.4214 -36.1956  136.707   77.284  242.118 -89.3046  165.636   24.727   10.278   16.904   7.7001 7.822809 12.84276 
1 1 1    3   43  -13 o  111.030   3.1530  3622.60  200.699  3553.52  267.007  3712.32  304.297  109.939   4.2052  112.121   4.6992 -2.181664 6.306054 
1 1 1    3   44  -13 o   14.039   6.5208 -97.0503  127.142   0.0000   0.0000 -97.0503  127.142  ?   ?    14.039   6.5208      ?      ? 
1 1 1    3   45  -13 o   39.703   7.3255  506.001  161.785   0.0000   0.0000  506.001  161.785  ?   ?    39.703   7.3255      ?      ? 
1 1 1    3   46  -13 o   76.615   3.9383  1744.15  174.262   0.0000   0.0000  1744.15  174.262  ?   ?    76.615   3.9383      ?      ? 
1 1 1    3   47  -13 o   43.811   5.9114  659.481  123.880  604.552  250.893  677.189  142.457   40.517   10.600   47.104   5.2365 -6.586838 11.82284 
1 1 1    3   48  -13 o   55.246   6.1475  1126.63  167.645  784.246  285.314  1307.17  207.184   45.464   10.988   65.027   5.5167 -19.56239 12.29506 
1 1 1    3   49  -13 o   53.373   5.3053  992.459  132.832  846.274  256.851  1045.83  155.198   48.185   9.5672   58.561   4.5887 -10.37662 10.61069 
1 1 1    3   50  -13 o   75.130   3.9835  1827.91  140.821  1712.21  295.014  1862.05  160.258   71.480   7.1461   78.780   3.5222 -7.299324 7.967010 
1 1 1    3    0  -14 o  576.843   3.1583 96036.21  991.985 96373.93  1719.25 95867.68  1214.55  577.570   5.1550  576.115   3.6505 -0.000000 0.000000 
1 1 1    3    1  -14 o  902.459   3.5888 235753.70  1825.45 237475.20  2343.34 233096.59  2911.25  906.698   4.4749  898.219   5.6119 8.479126 7.177660 
1 1 1    3    2  -14 o  316.463   1.4605 28881.95  259.472 28752.30  329.869 29092.33  420.215  315.535   1.8101  317.390   2.2924 -1.855377 2.920911 
1 1 1    3    3  -14 o  629.246   3.0832 114939.30  897.217 115320.80  1004.28 113430.70  1997.02  631.903   2.7518  626.589   5.5184 5.313354 6.166470 
1 1 1    3    4  -14 o  390.755   2.1012 43933.03  405.999 43779.16  465.821 44419.36  828.137  389.351   2.0715  392.159   3.6564 -2.808105 4.202447 
1 1 1    3    5  -14 o  766.864   2.7282 169857.30  1208.30 170485.20  1715.59 169239.30  1702.09  768.269   3.8665  765.458   3.8501 2.811768 5.456468 
1 1 1    3    6  -14 o  105.435   1.6676  3204.38   97.976  3187.55  123.146  3233.41  161.729  105.060   2.0295  105.810   2.6465 -0.7505569 3.335134 
1 1 1    3    7  -14 o  392.563   2.1948 44309.69  436.363 44922.00  859.188 44096.85  506.557  394.367   3.7723  390.758   2.2446 3.609009 4.389547 
1 1 1    3    8  -14 o  498.990   2.6965 72083.98  734.643 71413.82  1262.48 72427.08  903.335  497.212   4.3964  500.768   3.1234 -3.555695 5.392943 
1 1 1    3    9  -14 o  861.812   4.6870 214000.00  2210.56 212644.41  2717.35 216652.59  3801.04  857.894   5.4844  865.730   7.6021 -7.835510 9.373931 
1 1 1    3   10  -14 o  436.890   2.4955 55075.25  592.938 54964.50  724.976 55299.00  1030.48  436.245   2.8775  437.536   4.0779 -1.291443 4.990930 
1 1 1    3   11  -14 o  501.417   2.7597 72627.59  745.690 72632.84  904.406 72616.48  1317.82  501.473   3.1227  501.362   4.5511 0.1106262 5.519433 
1 1 1    3   12  -14 o  234.653   1.4121 15900.05  190.966 15927.60  279.374 15875.89  261.631  234.843   2.0598  234.463   1.9321 0.3802490 2.824136 
1 1 1    3   13  -14 f  379.826   2.2361 41799.59  465.867 41254.09  792.231 42087.93  575.977  377.912   3.6297  381.740   2.6125 -3.827698 4.472145 
1 1 1    3   14  -14 o  338.491   2.3414 33097.16  457.509 33040.50  657.069 33150.48  637.411  338.209   3.3639  338.774   3.2578 -0.5653687 4.682835 
1 1 1    3   15  -14 o  233.081   1.7604 15685.81  212.423 15701.87  402.708 15679.61  250.038  233.155   2.9906  233.007   1.8580 0.1479950 3.520792 
1 1 1    3   16  -14 f  218.945   1.9037 13864.53  240.108 13558.47  350.154 14136.17  329.881  216.659   2.7983  221.230   2.5818 -4.571487 3.807419 
1 1 1    3   17  -14 f  504.968   2.8674 73453.27  789.486 74349.60  1367.72 73005.39  966.815  507.225   4.6689  502.711   3.3300 4.514740 5.734728 
1 1 1    3   18  -14 o  355.355   2.1339 36290.64  411.355 37022.20  721.293 35938.02  500.777  357.974   3.4888  352.735   2.4582 5.238831 4.267812 
1 1 1    3   19  -14 o  522.885   2.9541 78987.04  836.881 79091.27  1464.26 78936.47  1019.87  523.071   4.8470  522.699   3.3784 0.3724976 5.908186 
1 1 1    3   20  -14 o  154.259   1.6248  6872.53  144.760   0.0000   0.0000  6872.53  144.760  ?   ?   154.259   1.6248      ?      ? 
1 1 1    3   21  -14 o  377.029   1.6426 41015.82  350.293 40834.43  451.349 41290.54  555.484  375.994   2.0785  378.064   2.5440 -2.070099 3.285141 
1 1 1    3   22  -14 o  309.503   2.2995 27681.54  411.035 27815.68  582.750 27548.75  579.844  310.249   3.2523  308.757   3.2517 1.492188 4.598992 
1 1 1    3   23  -14 o  292.410   1.2650 24700.33  213.522 24602.97  306.692 24791.92  297.452  291.850   1.8195  292.971   1.7580 -1.121155 2.530033 
1 1 1    3   24  -14 o  273.972   1.4907 21685.02  235.755 21658.32  338.554 21710.16  328.490  273.806   2.1409  274.137   2.0748 -0.3309937 2.981300 
1 1 1    3   25  -14 o   91.086   2.5871  2370.35  127.707  2482.30  225.719  2317.63  154.880   92.628   4.2193   89.544   2.9948 3.083328 5.174130 
1 1 1    3   26  -14 o  164.230   1.8923  7792.07  179.483   0.0000   0.0000  7792.07  179.483  ?   ?   164.230   1.8923      ?      ? 
1 1 1    3   27  -14 o  210.948   1.4357 12873.29  174.380 12641.82  255.521 13075.07  238.571  209.166   2.1152  212.731   1.9418 -3.564499 2.871337 
1 1 1    3   28  -14 o  298.451   2.1423 25782.29  285.717 25795.69  316.217 25722.72  666.804  298.800   1.8324  298.103   3.8730 0.6972046 4.284596 
1 1 1    3   29  -14 o  228.833   1.3036 15141.79  169.638 15196.45  221.568 15064.38  263.704  229.344   1.6728  228.321   1.9998 1.022644 2.607167 
1 1 1    3   30  -14 o  202.357   1.3069 11838.41  151.077 11790.72  231.118 11874.00  199.634  201.992   1.9811  202.723   1.7051 -0.7313080 2.613851 
1 1 1    3   31  -14 o   98.100   2.4049  2782.14  136.257   0.0000   0.0000  2782.14  136.257  ?   ?    98.100   2.4049      ?      ? 
1 1 1    3   32  -14 o  156.546   2.1704  7103.37  186.179  7047.82  317.645  7132.44  229.788  156.032   3.5249  157.059   2.5333 -1.027634 4.340752 
1 1 1    3   33  -14 f   57.386   4.6837  945.592  147.017  1003.41  255.659  917.026  179.702   58.599   7.5542   56.173   5.5391 2.425922 9.367379 
1 1 1    3   34  -14 o  188.447   2.0759 10264.94  225.934   0.0000   0.0000 10264.94  225.934  ?   ?   188.447   2.0759      ?      ? 
1 1 1    3   35  -14 o  112.567   2.6490  3749.94  160.420  3451.43  278.039  3898.90  196.408  109.062   4.4142  116.073   2.9298 -7.011047 5.298003 
1 1 1    3   36  -14 o   81.268   3.9569  1915.61  185.719   0.0000   0.0000  1915.61  185.719  ?   ?    81.268   3.9569      ?      ? 
1 1 1    3   37  -14 o  182.977   2.2675  9676.31  236.822  9857.78  365.332  9544.78  311.020  184.409   3.4302  181.545   2.9663 2.863876 4.534908 
1 1 1    3   38  -14 o  117.968   2.4440  4072.64  164.148  4280.51  218.059  3800.81  249.356  121.525   3.1069  114.412   3.7737 7.112434 4.888063 
1 1 1    3   39  -14 o  108.472   2.1399  3411.78  133.912  3401.82  184.988  3422.75  194.102  108.316   2.9571  108.628   3.0939 -0.3117447 4.279775 
1 1 1    3   40  -14 o   94.046   3.2868  2587.57  178.414  2527.04  254.828  2645.78  249.875   92.941   4.7474   95.150   4.5470 -2.209099 6.573672 
1 1 1    3   41  -14 o  102.902   2.7816  3137.02  159.296  3275.38  202.702  2913.59  257.595  106.080   3.3086   99.725   4.4725 6.354958 5.563241 
1 1 1    3   42  -14 o  157.631   2.0680  7294.73  180.318  7005.87  298.671  7460.41  226.193  154.969   3.3371  160.294   2.4433 -5.324844 4.135900 
1 1 1    3   43  -14 o   29.417   7.5125  229.235  176.861   43.487  250.820  412.924  249.425   23.759   10.194   35.075   11.037 -11.31651 15.02491 
1 1 1    3   44  -14 o   82.878   3.7584  2024.40  179.900   0.0000   0.0000  2024.40  179.900  ?   ?    82.878   3.7584      ?      ? 
1 1 1    3   45  -14 o   49.158   5.5611  771.652  144.783  806.657  250.840  754.164  177.298   48.844   9.2303   49.472   6.2053 -0.6283264 11.12220 
1 1 1    3   46  -14 o   79.652   4.0480  1948.08  184.912  2258.80  267.418  1663.40  255.968   86.012   5.3833   73.292   6.0470 12.71964 8.096053 
1 1 1    3   47  -14 o   14.787   5.2220 -537.7307  177.015 -472.3075  224.136 -646.1823  288.578   14.112   7.0194   15.462   7.7335 -1.350086 10.44407 
1 1 1    3   48  -14 o   24.469   9.2677  190.682  179.884   0.0000   0.0000  190.682  179.884  ?   ?    24.469   9.2677      ?      ? 
1 1 1    3   49  -14 o   44.765   6.5249  864.446  141.863  486.179  298.537  974.774  161.229   33.385   12.065   56.145   4.9722 -22.75995 13.04983 
1 1 1    3    0  -15 o  262.332   1.7181 19810.51  246.474 20090.72  424.469 19667.97  302.741  263.714   2.7876  260.949   2.0090 -0.000000 0.000000 
1 1 1    3    1  -15 o  132.394   1.1599  5064.82   87.176  5077.91  113.373  5045.88  136.356  132.604   1.4804  132.184   1.7861 0.4200287 2.319846 
1 1 1    3    2  -15 f  696.372   3.4068 140257.20  1104.46 140372.91  1238.28 139807.00  2442.60  697.156   3.0754  695.589   6.0801 1.566162 6.813681 
1 1 1    3    3  -15 o   33.026   4.6514  275.292   73.901  233.250   83.079  434.655  161.751   27.948   5.3418   38.104   7.6164 -10.15616 9.302885 
1 1 1    3    4  -15 o  468.542   2.8321 63665.20  729.008 62586.20  1234.36 64243.14  903.391  465.461   4.5917  471.623   3.3166 -6.161835 5.664252 
1 1 1    3    5  -15 o  538.716   3.4036 83823.19  1057.27 83549.05  1453.39 84131.30  1540.84  537.787   4.6794  539.646   4.9438 -1.858643 6.807179 
1 1 1    3    6  -15 o  790.555   4.2363 181031.80  1826.18 179252.20  3145.96 181936.20  2242.72  787.533   6.9167  793.577   4.8933 -6.043518 8.472607 
1 1 1    3    7  -15 o  322.364   1.9165 29991.42  336.796 30078.09  582.389 29947.86  412.830  322.707   3.1248  322.022   2.2197 0.6849060 3.832945 
1 1 1    3    8  -15 o  240.762   1.3929 16741.97  193.645 16654.08  276.455 16826.63  271.327  240.141   1.9933  241.382   1.9463 -1.241287 2.785897 
1 1 1    3    9  -15 o   88.934   2.0901  2280.23   98.778  2294.98  179.385  2273.81  118.334   89.137   3.4845   88.731   2.3091 0.4058609 4.180180 
1 1 1    3   10  -15 o  603.747   3.7239 105332.00  1298.03 104966.50  1858.27 105680.20  1813.92  602.719   5.3384  604.775   5.1933 -2.055481 7.447700 
1 1 1    3   11  -15 o  578.683   3.5297 96709.95  1178.90 97988.73  1703.29 95534.02  1633.33  582.349   5.0643  575.018   4.9182 7.330872 7.059463 
1 1 1    3   12  -15 o  428.953   2.7161 53157.50  672.790 52882.43  958.183 53424.98  944.894  427.856   3.8776  430.049   3.8043 -2.192139 5.432220 
1 1 1    3   13  -15 o   75.113   1.9882  1628.49   84.292  1624.46  108.218  1634.69  134.409   74.997   2.4985   75.229   3.0936 -0.2323914 3.976482 
1 1 1    3   14  -15 o  283.053   2.1781 23139.33  356.060 23139.33  356.060   0.0000   0.0000  283.053   2.1781  ?   ?       ?      ? 
1 1 1    3   15  -15 o  114.634   2.5648  3733.21  161.543  3599.51  198.110  3998.48  279.066  111.629   3.0729  117.639   4.1074 -6.009903 5.129659 
1 1 1    3   16  -15 o  752.739   4.6287 163748.59  2012.28 163748.59  2012.28   0.0000   0.0000  752.739   4.6287  ?   ?       ?      ? 
1 1 1    3   17  -15 o   60.847   4.0005  1082.65  117.805  1048.32  245.102  1092.96  134.339   60.191   7.0507   61.503   3.7820 -1.312546 8.000957 
1 1 1    3   18  -15 o  217.518   1.3782 13670.11  173.035 13817.63  241.287 13513.91  248.280  218.727   1.9101  216.308   1.9874 2.418793 2.756454 
1 1 1    3   19  -15 o  346.593   2.0027 34919.32  319.092 34348.16  715.253 35061.24  356.539  344.768   3.5921  348.418   1.7718 -3.649994 4.005313 
1 1 1    3   20  -15 o  116.002   1.7150  3890.64  114.687  3948.16  158.154  3826.84  166.557  116.909   2.3423  115.096   2.5056 1.812965 3.429969 
1 1 1    3   21  -15 o  381.958   1.4161 42168.97  309.257 42339.04  409.832 41944.06  471.290  382.861   1.8534  381.056   2.1415 1.805267 2.832173 
1 1 1    3   22  -15 o  294.034   1.4207 24980.30  237.686 24938.61  369.155 25009.83  310.645  293.816   2.1754  294.252   1.8279 -0.4356689 2.841455 
1 1 1    3   23  -15 o  101.937   2.1912  2963.63  122.227  2882.92  149.510  3126.26  212.238   99.886   2.5917  103.988   3.5339 -4.102394 4.382370 
1 1 1    3   24  -15 o  144.381   1.7712  5983.65  139.215  5905.52  169.933  6143.10  242.766  142.973   2.0580  145.789   2.8832 -2.816025 3.542343 
1 1 1    3   25  -15 o  254.516   2.2091 18717.30  324.719   0.0000   0.0000 18717.30  324.719  ?   ?   254.516   2.2091      ?      ? 
1 1 1    3   26  -15 o  130.956   1.8757  5023.66  132.981  5155.11  163.092  4762.90  229.702  133.569   2.1142  128.342   3.0989 5.227203 3.751403 
1 1 1    3   27  -15 o  227.161   1.4232 14912.53  186.650 14839.73  267.198 14981.91  260.844  226.618   2.0415  227.705   1.9835 -1.087173 2.846387 
1 1 1    3   28  -15 o  191.804   1.4675 10623.32  162.211 10751.28  238.022 10512.35  221.653  192.878   2.1367  190.731   2.0122 2.146729 2.935046 
1 1 1    3   29  -15 o  160.037   1.6894  7399.92  156.145  7399.92  156.145   0.0000   0.0000  160.037   1.6894  ?   ?       ?      ? 
1 1 1    3   30  -15 o  112.407   2.3732  3584.81  122.327  3539.65  136.027  3775.72  279.691  110.666   2.1283  114.148   4.2425 -3.482323 4.746423 
1 1 1    3   31  -15 o  236.263   2.2842 16122.90  307.766 15968.01  403.563 16338.20  475.794  234.946   2.9741  237.579   3.4676 -2.633240 4.568309 
1 1 1    3   32  -15 o   76.466   3.5514  1692.86  156.839   0.0000   0.0000  1692.86  156.839  ?   ?    76.466   3.5514      ?      ? 
1 1 1    3   33  -15 o  129.115   2.9745  4827.00  221.490  4935.16  323.411  4731.46  303.960  130.465   4.2922  127.765   4.1193 2.700386 5.949037 
1 1 1    3   34  -15 o  169.005   1.5194  8230.85  141.268  8344.00  240.319  8171.11  174.624  169.862   2.4497  168.149   1.7981 1.712997 3.038782 
1 1 1    3   35  -15 o  115.619   2.8806  3876.43  192.323  3796.83  269.369  3959.20  274.681  114.409   4.0766  116.830   4.0709 -2.421486 5.761168 
1 1 1    3   36  -15 o  140.797   2.6197  5750.42  212.118  5765.90  287.286  5731.88  314.520  141.033   3.5270  140.561   3.8744 0.4723663 5.239326 
1 1 1    3   37  -15 f   93.044   3.8173  2527.50  204.974  2494.01  294.524  2558.95  285.444   92.424   5.5176   93.664   5.2767 -1.239166 7.634636 
1 1 1    3   38  -15 o  199.015   2.4005 11499.08  275.204 11557.95  376.531 11431.56  403.234  199.599   3.2663  198.431   3.5185 1.167862 4.800930 
1 1 1    3   39  -15 o  118.182   2.0425  4055.70  139.189  4145.21  192.834  3958.34  201.112  119.562   2.7926  116.802   2.9813 2.759850 4.084915 
1 1 1    3   40  -15 o   68.114   4.0545  1364.71  155.473  1349.71  198.440  1388.56  250.189   67.790   5.0685   68.438   6.3298 -0.6479187 8.108977 
1 1 1    3   41  -15 o   62.408   5.4445  1152.48  196.241  1152.48  196.241   0.0000   0.0000   62.408   5.4445  ?   ?       ?      ? 
1 1 1    3   42  -15 o   94.540   3.2119  2620.78  174.342  2783.88  264.009  2494.66  232.162   97.056   4.7099   92.024   4.3682 5.032516 6.423739 
1 1 1    3   43  -15 o  101.572   2.7118  3032.88  147.810  3050.03  263.028  3024.96  178.695  101.419   4.4905  101.724   3.0416 -0.3048782 5.423669 
1 1 1    3   44  -15 o   61.511   4.3585  1089.20  146.265  1383.71  263.458  957.991  175.855   66.743   6.8347   56.279   5.4103 10.46439 8.716928 
1 1 1    3   45  -15 o   59.694   5.1385  1141.68  174.259  1214.59  232.565  1048.35  263.135   62.462   6.4468   56.926   8.0036 5.536377 10.27707 
1 1 1    3   46  -15 o   75.378   4.5589  1711.70  198.469   0.0000   0.0000  1711.70  198.469  ?   ?    75.378   4.5589      ?      ? 
1 1 1    3   47  -15 o   73.900   3.9657  1763.49  143.217  1538.55  280.868  1842.53  166.488   69.137   7.0341   78.664   3.6646 -9.527130 7.931420 
1 1 1    3   48  -15 o   33.426   7.4208  446.678  161.997  361.897  272.820  492.850  201.333   30.326   11.431   36.527   9.4662 -6.201555 14.84152 
1 1 1    3   49  -15 o   59.317   6.1548  1136.14  210.851   0.0000   0.0000  1136.14  210.851  ?   ?    59.317   6.1548      ?      ? 
1 1 1    3    0  -16 o  240.094   1.8033 16540.49  235.172 16982.83  411.730 16326.31  286.508  242.445   2.9414  237.743   2.0870 -0.000000 0.000000 
1 1 1    3    1  -16 o  568.401   2.6386 93351.30  865.340 92593.69  1248.94 94050.79  1200.07  566.179   3.8195  570.623   3.6414 -4.444580 5.277158 
1 1 1    3    2  -16 f   49.128   3.3516  675.207   92.517  791.331  153.658  609.169  115.874   52.335   5.0836   45.921   4.3691 6.414215 6.703139 
1 1 1    3    3  -16 o  478.665   2.0309 66308.80  552.718 66957.41  722.764 65395.21  857.790  481.497   2.5991  475.833   3.1213 5.663696 4.061760 
1 1 1    3    4  -16 f  307.950   2.2664 27386.22  402.648 27297.34  556.050 27484.19  583.825  307.426   3.1318  308.474   3.2770 -1.047577 4.532851 
1 1 1    3    5  -16 o  665.633   3.7864 127640.50  1393.44 129323.00  2344.71 126721.80  1732.59  668.959   6.0688  662.306   4.5295 6.653442 7.572793 
1 1 1    3    6  -16 o  235.787   1.6784 16014.62  217.781 16193.18  370.060 15920.01  269.366  236.786   2.7060  234.788   1.9865 1.997513 3.356873 
1 1 1    3    7  -16 o   48.796   3.3291  689.216   87.945  684.127  153.765  691.689  107.211   48.658   5.4717   48.934   3.7935 -0.2763863 6.658111 
1 1 1    3    8  -16 o   54.594   3.2503  850.879   91.450  883.763  176.217  838.758  106.985   55.302   5.5172   53.887   3.4376 1.415207 6.500525 
1 1 1    3    9  -16 o  244.548   1.6987 17236.74  225.485 17169.19  275.048 17375.19  393.759  243.825   1.9532  245.272   2.7797 -1.446991 3.397311 
1 1 1    3   10  -16 o  203.549   1.8769 11965.81  220.492 11946.29  306.061 11986.88  317.923  203.377   2.6057  203.721   2.7021 -0.3439484 3.753783 
1 1 1    3   11  -16 o  217.210   1.3486 13613.01  168.968 13384.92  232.457 13868.52  246.035  215.283   1.8696  219.137   1.9440 -3.853760 2.697130 
1 1 1    3   12  -16 o  466.671   2.9089 62920.62  783.999 62976.66  1104.94 62863.80  1112.58  466.881   4.0978  466.461   4.1298 0.4203796 5.817837 
1 1 1    3   13  -16 o  189.075   1.3597 10314.33  139.066 10353.84  244.245 10295.38  169.164  189.338   2.2336  188.811   1.5513 0.5275421 2.719446 
1 1 1    3   14  -16 o  165.360   1.3813  7885.30  128.081  7946.92  208.099  7847.72  162.507  165.877   2.1722  164.844   1.7069 1.033432 2.762615 
1 1 1    3   15  -16 o  123.154   1.7901  4326.92  110.891  4272.40  128.021  4490.73  221.911  121.627   1.8225  124.681   3.0817 -3.053970 3.580287 
1 1 1    3   16  -16 o  122.779   1.5545  4351.62  110.166  4285.98  152.786  4422.70  158.995  121.816   2.1717  123.743   2.2247 -1.927048 3.108967 
1 1 1    3   17  -16 o  488.800   2.1376 69163.47  590.186 69694.56  760.766 68360.71  935.309  491.185   2.6818  486.415   3.3294 4.769653 4.275117 
1 1 1    3   18  -16 o  390.703   1.8859 44082.89  425.355 44592.55  612.012 43606.67  591.594  392.885   2.6972  388.521   2.6365 4.363831 3.771706 
1 1 1    3   19  -16 f  211.937   1.2959 13009.54  153.643 12828.25  249.759 13119.92  194.880  210.740   2.0521  213.134   1.5832 -2.393829 2.591786 
1 1 1    3   20  -16 o   62.101   3.9642  1199.76  104.956  994.358  247.438  1244.83  115.899   58.567   7.3152   65.634   3.0575 -7.066776 7.928419 
1 1 1    3   21  -16 o  120.660   1.3910  4217.15   96.105  4300.09  128.524  4111.97  144.743  122.012   1.8239  119.308   2.1006 2.704140 2.781920 
1 1 1    3   22  -16 o  224.279   1.2604 14461.23  150.335 14705.54  273.334 14355.27  180.007  225.617   2.0977  222.940   1.3980 2.677429 2.520845 
1 1 1    3   23  -16 o   76.408   3.0273  1593.22  112.161  1519.05  126.368  1868.58  243.478   72.493   3.0183   80.322   5.2485 -7.829361 6.054502 
1 1 1    3   24  -16 o  216.212   1.3724 13506.01  171.364 13434.06  242.880 13577.34  241.814  215.638   1.9502  216.786   1.9314 -1.147919 2.744728 
1 1 1    3   25  -16 o   39.571   3.3064  450.698   75.073  477.640  114.055  430.102   99.721   40.603   4.8637   38.539   4.4802 2.063927 6.612733 
1 1 1    3   26  -16 o  116.198   2.1484  3874.25  122.238  3961.99  253.564  3847.69  139.521  117.004   3.7523  115.392   2.0935 1.612732 4.296834 
1 1 1    3   27  -16 o   63.516   3.0096  1181.81  108.297  1093.37  166.796  1246.27  142.394   61.416   4.7024   65.615   3.7575 -4.198650 6.019246 
1 1 1    3   28  -16 o  263.097   1.7622 20000.30  267.765 20000.30  267.765   0.0000   0.0000  263.097   1.7622  ?   ?       ?      ? 
1 1 1    3   29  -16 o  116.118   2.4612  3927.83  159.175  3806.00  260.288  4000.60  201.177  114.633   3.9315  117.603   2.9619 -2.969498 4.922366 
1 1 1    3   30  -16 o   74.824   2.3979  1649.61  100.360  1753.22  129.324  1492.73  159.128   77.855   2.8761   71.793   3.8378 6.061852 4.795880 
1 1 1    3   31  -16 o  123.706   1.7164  4424.44  122.577  4250.73  172.499  4601.62  174.213  121.251   2.4633  126.161   2.3910 -4.909859 3.432857 
1 1 1    3   32  -16 o  147.512   2.2813  6290.74  194.353   0.0000   0.0000  6290.74  194.353  ?   ?   147.512   2.2813      ?      ? 
1 1 1    3   33  -16 o   94.138   3.3719  2622.40  170.158  2712.80  207.404  2436.28  297.600   96.767   3.7111   91.509   5.6309 5.257370 6.743881 
1 1 1    3   34  -16 f  148.213   2.5657  6354.49  219.625  6354.49  219.625   0.0000   0.0000  148.213   2.5657  ?   ?       ?      ? 
1 1 1    3   35  -16 o  108.044   2.7765  3340.15  165.642  3543.03  282.389  3233.73  204.523  110.444   4.4271  105.645   3.3520 4.799667 5.552971 
1 1 1    3   36  -16 o  124.243   2.8525  4481.43  204.648  4414.29  286.250  4551.63  292.689  123.294   4.0199  125.192   4.0480 -1.898491 5.704954 
1 1 1    3   37  -16 o   82.289   4.0736  1978.27  190.715  2004.28  297.150  1960.06  248.696   82.655   6.2247   81.923   5.2563 0.7324982 8.147133 
1 1 1    3   38  -16 o  163.079   1.7677  7704.02  166.488  7797.30  235.559  7610.92  235.339  164.068   2.4859  162.090   2.5139 1.978378 3.535495 
1 1 1    3   39  -16 o  115.191   2.4305  3812.84  153.633  4009.29  264.880  3713.24  188.598  117.277   3.9106  113.105   2.8871 4.172020 4.860943 
1 1 1    3   40  -16 o   24.547   6.6230  119.690  141.117  238.948  184.572 -48.1119  218.938   28.355   9.5349   20.739   9.1947 7.616060 13.24600 
1 1 1    3   41  -16 o   49.575   5.1616  714.380  138.355  839.477  250.653  659.564  165.921   52.201   8.3140   46.949   6.1191 5.251637 10.32311 
1 1 1    3   42  -16 o   47.695   4.8158  725.870  123.728  543.365  183.855  876.941  167.274   41.221   8.0113   54.169   5.3468 -12.94818 9.631699 
1 1 1    3   43  -16 o   26.775   6.8592  221.490  140.975  288.890  167.925   60.581  259.461   29.533   9.0177   24.017   10.338 5.516592 13.71837 
1 1 1    3   44  -16 o  120.449   2.6729  4368.52  175.385  4532.61  217.461  4063.15  296.652  124.274   3.0298  116.623   4.4043 7.650093 5.345804 
1 1 1    3   45  -16 o   16.359   5.5985 -279.6738  153.721 -187.8978  248.879 -336.2818  195.463   18.578   8.7845   14.139   6.9430 4.438360 11.19698 
1 1 1    3   46  -16 o   28.024   7.9109  250.690  193.009  279.330  281.108  225.147  265.475   28.851   11.403   27.197   10.969 1.653887 15.82185 
1 1 1    3   47  -16 o   66.542   5.4927  1467.05  210.621  1415.16  286.801  1527.79  310.313   65.471   7.5849   67.614   7.9466 -2.142822 10.98538 
1 1 1    3   48  -16 o   75.253   4.9884  1875.58  214.915  1925.64  289.380  1814.01  320.936   77.091   6.4995   73.414   7.5693 3.676964 9.976825 
1 1 1    3    0  -17 o  756.694   5.2344 165160.20  2252.96 163587.09  2936.33 167411.91  3512.99  752.377   6.7587  761.012   7.9948 -0.000000 0.000000 
1 1 1    3    1  -17 o  213.186   2.1063 13110.03  259.162 12639.00  358.812 13623.78  374.727  209.188   2.9699  217.184   2.9875 -7.996445 4.212520 
1 1 1    3    2  -17 o  161.933   1.9656  7558.10  183.625  7108.75  253.621  8053.15  266.207  156.885   2.7991  166.982   2.7604 -10.09669 3.931230 
1 1 1    3    3  -17 o  339.706   2.1717 33241.39  397.922 33081.02  482.431 33582.71  703.810  338.440   2.4681  340.971   3.5740 -2.530853 4.343389 
1 1 1    3    4  -17 o  649.004   3.8371 122377.10  1369.70 119525.60  2309.49 123924.40  1701.19  643.071   6.2183  654.937   4.4975 -11.86566 7.674276 
1 1 1    3    5  -17 o  304.432   2.4477 26748.20  429.856 26335.14  591.669 27209.93  625.562  301.947   3.3928  306.918   3.5291 -4.970581 4.895487 
1 1 1    3    6  -17 o  305.230   2.4004 26911.69  422.927 26924.88  588.661 26897.63  608.029  305.309   3.3384  305.152   3.4500 0.1574097 4.800803 
1 1 1    3    7  -17 o  271.705   1.8480 21295.68  276.867 21234.05  343.516 21409.92  467.726  271.152   2.1936  272.258   2.9746 -1.106537 3.695921 
1 1 1    3    8  -17 o  235.859   1.8030 16063.72  234.821 16055.75  292.002 16078.29  395.061  235.782   2.1443  235.936   2.8993 -0.1533356 3.606074 
1 1 1    3    9  -17 o   60.524   2.4592  1069.81   84.588  984.039  128.714  1135.01  112.226   58.363   3.8186   62.685   3.0999 -4.321815 4.918406 
1 1 1    3   10  -17 o  148.550   1.7342  6386.04  146.373  6444.54  191.059  6302.91  227.745  149.378   2.2146  147.722   2.6694 1.655624 3.468468 
1 1 1    3   11  -17 o  343.724   1.9754 34004.50  342.464 33877.46  396.780 34375.57  678.119  342.491   2.0059  344.957   3.4037 -2.466125 3.950839 
1 1 1    3   12  -17 o  424.028   2.0273 51933.18  496.458 52493.02  705.050 51382.61  699.183  426.295   2.8637  421.762   2.8704 4.533234 4.054593 
1 1 1    3   13  -17 o  503.260   2.0918 73167.83  597.662 73190.87  777.012 73134.46  935.260  503.373   2.6727  503.148   3.2185 0.2256470 4.183543 
1 1 1    3   14  -17 o  215.470   1.6729 13344.77  201.932 13146.65  255.218 13676.40  330.201  213.349   2.0713  217.592   2.6275 -4.243713 3.345762 
1 1 1    3   15  -17 o  179.735   1.4290  9333.60  148.266  9446.53  207.236  9215.19  212.211  180.850   1.9841  178.620   2.0571 2.229401 2.858016 
1 1 1    3   16  -17 f   91.271   1.5690  2407.81   82.041  2418.86  109.438  2393.64  123.962   91.512   2.0706   91.031   2.3578 0.4812775 3.137990 
1 1 1    3   17  -17 o  238.295   1.1119 16405.47  151.093 16366.82  232.809 16433.60  198.600  238.049   1.6934  238.540   1.4416 -0.4908142 2.223855 
1 1 1    3   18  -17 o  332.239   2.0762 31918.79  373.314 31823.35  653.852 31964.95  454.713  331.836   3.4117  332.642   2.3669 -0.8053894 4.152318 
1 1 1    3   19  -17 o   67.720   2.5296  1324.78   98.872  1346.72  142.886  1304.62  136.954   68.256   3.6246   67.183   3.5297 1.073662 5.059267 
1 1 1    3   20  -17 o   56.309   2.5231  920.575   79.699  899.782  128.340  933.627  101.681   55.782   3.9837   56.837   3.0976 -1.054810 5.046284 
1 1 1    3   21  -17 f  318.307   1.5163 29265.87  274.499 29303.43  427.244 29239.47  358.215  318.469   2.3229  318.146   1.9495 0.3228760 3.032557 
1 1 1    3   22  -17 f  442.839   1.6084 56573.55  406.766 57252.88  625.377 56075.40  535.526  445.121   2.4326  440.556   2.1047 4.564636 3.216763 
1 1 1    3   23  -17 o  205.810   1.6576 12239.33  150.601 12241.48  357.306 12238.86  166.074  205.775   3.0065  205.845   1.3969 -0.6956482E-01 3.315191 
1 1 1    3   24  -17 o  118.040   1.3536  4033.76   91.285  4082.82  120.968  3968.87  139.120  118.880   1.7619  117.200   2.0553 1.679924 2.707133 
1 1 1    3   25  -17 o   61.359   3.7923  1083.92  131.743  1052.13  169.151  1132.94  210.045   60.249   4.8612   62.469   5.8218 -2.220577 7.584511 
1 1 1    3   26  -17 f  173.237   1.6182  8670.31  161.903   0.0000   0.0000  8670.31  161.903  ?   ?   173.237   1.6182      ?      ? 
1 1 1    3   27  -17 o  136.029   1.9648  5264.95  131.527  5516.08  272.460  5188.65  150.185  138.061   3.4170  133.998   1.9406 4.062698 3.929637 
1 1 1    3   28  -17 o  177.395   1.7812  9125.60  179.103  9243.93  232.815  8954.03  280.332  178.829   2.2542  175.960   2.7585 2.869293 3.562391 
1 1 1    3   29  -17 o  255.194   2.1185 18822.64  312.232 18822.64  312.232   0.0000   0.0000  255.194   2.1185  ?   ?       ?      ? 
1 1 1    3   30  -17 o  135.512   2.3926  5392.40  174.357  5099.99  304.774  5534.66  212.580  132.681   3.9772  138.342   2.6606 -5.661179 4.785118 
1 1 1    3   31  -17 o  347.250   2.2653 34788.27  438.933 35320.85  723.159 34477.61  552.307  349.251   3.5852  345.249   2.7699 4.002167 4.530535 
1 1 1    3   32  -17 o   85.259   3.6635  2140.64  143.224  2065.33  320.079  2159.49  160.151   84.146   6.5862   86.373   3.2105 -2.226700 7.327055 
1 1 1    3   33  -17 o  163.486   2.4312  7818.85  215.963  7510.56  371.601  7976.09  265.381  160.940   3.9978  166.031   2.7675 -5.090469 4.862314 
1 1 1    3   34  -17 o   84.045   2.3194  2044.74  112.024  2032.03  150.856  2060.36  167.264   83.767   3.1182   84.324   3.4345 -0.5565033 4.638881 
1 1 1    3   35  -17 o  148.616   2.3717  6387.56  187.669  6364.59  225.165  6439.81  339.635  148.288   2.6291  148.945   3.9482 -0.6576385 4.743484 
1 1 1    3   36  -17 o   68.237   4.3224  1237.22  144.737  1615.30  315.047  1136.07  162.951   74.003   7.3713   62.472   4.5163 11.53064 8.644827 
1 1 1    3   37  -17 o  176.671   2.1859  9082.29  208.075  9133.00  252.739  8975.62  366.567  177.584   2.4642  175.758   3.6112 1.826416 4.371889 
1 1 1    3   38  -17 f  149.970   2.3168  6579.46  187.684  6662.57  228.948  6409.17  327.718  151.593   2.6150  148.347   3.8251 3.246231 4.633500 
1 1 1    3   39  -17 o   81.354   3.9834  1933.15  187.162  1933.15  187.162   0.0000   0.0000   81.354   3.9834  ?   ?       ?      ? 
1 1 1    3   40  -17 o   60.589   4.9715  1040.24  161.259  1292.12  300.866  938.707  191.014   65.036   8.0100   56.143   5.8910 8.893456 9.943045 
1 1 1    3   41  -17 o   62.016   5.1537  1181.11  183.508  1042.23  259.512  1320.01  259.528   58.138   7.7288   65.893   6.8196 -7.755268 10.30732 
1 1 1    3   42  -17 o  112.580   2.2237  3711.77  144.554  3647.07  205.163  3775.55  203.705  111.587   3.1835  113.574   3.1055 -1.987198 4.447347 
1 1 1    3   43  -17 f   79.058   3.5745  1894.93  159.020  1822.75  251.957  1942.71  205.010   77.401   5.6363   80.715   4.3978 -3.313614 7.149006 
1 1 1    3   44  -17 f   67.779   4.3166  1407.11  156.970  1462.11  280.058  1381.92  189.541   67.898   7.1418   67.661   4.8505 0.2371826 8.633196 
1 1 1    3   45  -17 o   11.463   5.7956 -577.3477  186.708   0.0000   0.0000 -577.3477  186.708  ?   ?    11.463   5.7956      ?      ? 
1 1 1    3   46  -17 o   40.461   6.8920  548.377  150.406  455.675  180.604  758.178  271.698   35.979   8.7709   44.943   10.633 -8.964188 13.78393 
1 1 1    3   47  -17 o   15.309   7.4361 -262.0165  207.207   0.0000   0.0000 -262.0165  207.207  ?   ?    15.309   7.4361      ?      ? 
1 1 1    3    0  -18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    1  -18 o  530.345   4.9456 81274.48  1514.81 81274.48  1514.81   0.0000   0.0000  530.345   4.9456  ?   ?       ?      ? 
1 1 1    3    2  -18 o  166.157   2.2749  7951.72  217.904  7613.74  297.319  8343.93  320.286  162.354   3.1708  169.960   3.2629 -7.605667 4.549828 
1 1 1    3    3  -18 o  467.066   2.2914 63013.46  616.951 63019.71  900.330 63007.93  847.103  467.084   3.3375  467.048   3.1404 0.3552246E-01 4.582711 
1 1 1    3    4  -18 o  445.277   2.0016 57272.50  507.882 57241.23  784.799 57295.03  666.194  445.164   3.0525  445.390   2.5899 -0.2253113 4.003121 
1 1 1    3    5  -18 o  480.257   2.7547 66384.55  659.966 66141.18  760.397 67127.68  1328.70  478.532   2.7513  481.982   4.7732 -3.450073 5.509398 
1 1 1    3    6  -18 o  113.141   1.8617  3703.81  118.511  3668.09  189.993  3726.56  151.625  112.690   2.9192  113.590   2.3112 -0.8999329 3.723385 
1 1 1    3    7  -18 o  369.221   1.7229 39438.65  362.443 38973.18  558.755 39776.77  476.223  367.332   2.6338  371.111   2.2219 -3.779297 3.445796 
1 1 1    3    8  -18 o  346.506   1.6454 34660.88  324.472 34778.05  504.222 34578.07  423.905  347.000   2.5160  346.012   2.1213 0.9887085 3.290875 
1 1 1    3    9  -18 o  271.155   1.9063 21155.53  284.250 21503.79  484.351 20972.56  351.064  272.840   3.0737  269.469   2.2557 3.370605 3.812646 
1 1 1    3   10  -18 o   71.415   2.1114  1471.85   86.890  1453.19  118.619  1493.44  127.638   70.928   2.8957   71.902   3.0737 -0.9740906 4.222847 
1 1 1    3   11  -18 o   84.158   2.2585  2058.24  104.392  2006.43  176.476  2086.13  129.473   83.333   3.6668   84.983   2.6379 -1.650085 4.517064 
1 1 1    3   12  -18 o  291.306   1.7830 24383.09  264.263 24241.33  307.468 24783.88  516.977  289.713   1.8376  292.898   3.0561 -3.185486 3.566021 
1 1 1    3   13  -18 o   98.310   2.9390  2842.28  130.896  2873.11  145.841  2714.58  296.841   99.731   2.5320   96.890   5.3047 2.841469 5.878008 
1 1 1    3   14  -18 o  407.132   1.8007 47844.60  412.773 48052.38  662.805 47712.95  527.568  407.838   2.8139  406.427   2.2476 1.411865 3.601346 
1 1 1    3   15  -18 o  296.895   1.4432 25504.82  241.603 25254.50  385.011 25667.42  310.305  295.683   2.2546  298.107   1.8023 -2.423645 2.886415 
1 1 1    3   16  -18 o  286.463   1.2929 23708.27  213.852 23280.50  303.945 24127.63  300.943  283.903   1.8537  289.024   1.8029 -5.120972 2.585841 
1 1 1    3   17  -18 o  264.166   1.9067 20139.22  264.898 20218.26  489.493 20106.48  315.013  264.503   3.2043  263.829   2.0674 0.6742554 3.813327 
1 1 1    3   18  -18 o  151.545   1.4085  6657.94  119.995  6528.75  192.327  6740.29  153.546  150.331   2.2152  152.759   1.7404 -2.427795 2.817064 
1 1 1    3   19  -18 o  304.288   1.2676 26775.93  220.150 26546.09  337.522 26946.12  290.434  303.143   1.9278  305.433   1.6464 -2.289642 2.535211 
1 1 1    3   20  -18 o  229.412   1.3268 15245.94  173.549 14930.26  266.195 15479.33  228.882  227.334   2.0275  231.490   1.7120 -4.156540 2.653558 
1 1 1    3   21  -18 o  310.458   1.8986 27979.33  300.730 27593.46  581.324 28120.34  351.405  308.928   3.2582  311.987   1.9502 -3.058899 3.797257 
1 1 1    3   22  -18 o   79.262   2.5597  1807.04  115.497  1758.96  150.193  1876.60  180.673   77.989   3.3345   80.534   3.8844 -2.544807 5.119331 
1 1 1    3   23  -18 o  329.121   1.5374 31186.99  287.676 31941.37  450.697 30668.34  373.704  332.449   2.3473  325.794   1.9861 6.655151 3.074823 
1 1 1    3   24  -18 o  188.855   1.3098 10350.21  138.395 10491.21  175.813 10120.52  224.399  190.566   1.5974  187.143   2.0762 3.423401 2.619585 
1 1 1    3   25  -18 o  299.817   1.4605 25935.84  245.023 26143.07  400.250 25811.64  309.871  300.746   2.3043  298.888   1.7951 1.857941 2.921024 
1 1 1    3   26  -18 o  164.017   1.6135  7717.01  146.229  7976.73  247.536  7577.80  181.232  166.099   2.5804  161.936   1.9378 4.163132 3.226994 
1 1 1    3   27  -18 o   84.115   2.1649  2043.76  105.089  1961.20  145.277  2134.36  152.202   82.337   3.0551   85.894   3.0681 -3.557281 4.329742 
1 1 1    3   28  -18 o  218.518   1.4755 13725.46  175.966 13573.51  215.434 14030.05  305.007  216.741   1.7210  220.296   2.3973 -3.554459 2.951074 
1 1 1    3   29  -18 o   98.574   3.0739  2807.79  162.553  2792.61  196.153  2841.05  290.434   98.220   3.4579   98.929   5.0832 -0.7087936 6.147851 
1 1 1    3   30  -18 o  206.430   1.6189 12385.40  175.490 12479.34  208.954 12160.52  323.297  207.815   1.7410  205.046   2.7300 2.769028 3.237890 
1 1 1    3   31  -18 o   69.395   3.3455  1393.39  123.540  1386.41  148.117  1409.34  223.939   69.180   3.7072   69.610   5.5702 -0.4308701 6.691058 
1 1 1    3   32  -18 o   99.036   2.3210  2823.30  131.711  2713.85  174.217  2969.32  201.221   96.823   3.1155  101.250   3.4411 -4.427155 4.641908 
1 1 1    3   33  -18 o  162.787   2.1881  7718.56  178.286  7764.69  206.289  7582.41  354.402  163.866   2.1797  161.708   3.7947 2.158279 4.376204 
1 1 1    3   34  -18 o  116.133   2.5797  3903.12  173.026  3903.12  173.026   0.0000   0.0000  116.133   2.5797  ?   ?       ?      ? 
1 1 1    3   35  -18 o   55.357   5.4494  979.364  142.644  795.878  276.480  1045.92  166.517   50.797   9.7791   59.917   4.8120 -9.120445 10.89885 
1 1 1    3   36  -18 o  191.715   2.2826 10656.07  243.880 10632.69  306.859 10696.16  401.829  191.549   2.7738  191.881   3.6260 -0.3322754 4.565250 
1 1 1    3   37  -18 o   85.257   1.9121  2119.37   93.406  2219.51  126.301  1998.49  138.771   87.517   2.4988   82.997   2.8950 4.520950 3.824274 
1 1 1    3   38  -18 o   47.090   6.4117  675.095  161.536  649.247  197.220  727.783  281.569   46.563   7.3337   47.616   10.519 -1.052509 12.82336 
1 1 1    3   39  -18 o   59.052   5.4780  1048.64  159.886  1039.53  183.734  1077.03  324.516   59.276   5.3670   58.828   9.5515 0.4481087 10.95602 
1 1 1    3   40  -18 o   32.065   7.1675  324.657  142.915  355.912  246.997  308.927  175.226   33.166   11.029   30.963   9.1577 2.202801 14.33505 
1 1 1    3   41  -18 o   34.055   7.9835  392.104  180.729  396.037  288.348  389.560  231.942   34.207   11.906   33.903   10.640 0.3040695 15.96697 
1 1 1    3   42  -18 o   30.250   7.0783  285.659  147.297  174.400  193.280  439.794  227.495   25.076   9.5803   35.424   10.423 -10.34750 14.15669 
1 1 1    3   43  -18 o   90.100   2.5536  2400.36  132.772  2533.35  189.523  2272.20  186.061   92.589   3.5442   87.611   3.6772 4.978432 5.107124 
1 1 1    3   44  -18 f   35.297   8.0149  450.328  174.733  412.134  208.945  539.168  318.667   33.807  10.0000   36.787   12.528 -2.979877 16.02976 
1 1 1    3   45  -18 o   30.910   7.3639  340.581  148.348  384.885  265.573  320.487  178.852   31.826   11.395   29.994   9.3314 1.831917 14.72788 
1 1 1    3   46  -18 o   20.974   6.7899 -28.0377  158.356 -65.3850  182.297   86.800  319.662   17.318   7.9593   24.630   11.003 -7.311607 13.57986 
1 1 1    3   47  -18 o   70.053   3.6119  1512.32  145.132  1660.99  221.573  1400.60  192.070   72.881   5.2640   67.226   4.9470 5.654892 7.223748 
1 1 1    3    0  -19 o  486.233   2.4200 68275.66  678.437 67948.27  932.652 68643.59  988.711  485.000   3.3300  487.466   3.5123 -0.000000 0.000000 
1 1 1    3    1  -19 o  239.436   1.4074 16566.64  192.306 16617.69  253.380 16497.28  295.340  239.874   1.8290  238.999   2.1396 0.8754883 2.814811 
1 1 1    3    2  -19 f  588.241   2.2960 99953.02  779.714 100144.40  1118.97 99772.41  1087.08  588.786   3.2906  587.697   3.2028 1.088928 4.591926 
1 1 1    3    3  -19 o  126.435   1.9969  4616.37  145.183  4629.41  215.730  4605.58  196.284  126.596   2.9506  126.273   2.6915 0.3230209 3.993717 
1 1 1    3    4  -19 o  367.987   1.5614 39105.93  331.746 39299.96  475.206 38921.49  463.339  368.876   2.2306  367.097   2.1854 1.779236 3.122731 
1 1 1    3    5  -19 o   95.863   2.4324  2653.80  134.610  2544.34  188.511  2767.68  192.279   93.846   3.4780   97.879   3.4014 -4.033180 4.864798 
1 1 1    3    6  -19 o  221.771   1.5433 14150.85  196.080 14617.79  298.901 13798.11  259.793  224.968   2.3005  218.574   2.0580 6.394104 3.086684 
1 1 1    3    7  -19 f  235.186   1.8041 15932.56  235.035 16132.40  393.719 15821.91  292.963  236.320   2.8847  234.052   2.1673 2.268478 3.608129 
1 1 1    3    8  -19 o  390.818   1.8190 44134.94  404.228 44026.91  629.004 44210.94  527.602  390.401   2.7897  391.235   2.3350 -0.8340149 3.637932 
1 1 1    3    9  -19 o  143.508   1.5720  5949.01  130.273  5900.74  185.098  5996.38  183.383  142.931   2.2423  144.086   2.2037 -1.154327 3.143901 
1 1 1    3   10  -19 o  106.008   2.5456  3228.90  135.404  3283.91  270.605  3210.52  156.389  106.591   4.3957  105.425   2.5685 1.166100 5.091131 
1 1 1    3   11  -19 o  176.055   1.5443  8955.38  155.811  8973.68  207.944  8931.95  235.279  176.263   2.0427  175.847   2.3167 0.4156189 3.088594 
1 1 1    3   12  -19 o  461.550   2.0367 61546.46  536.527 61534.70  824.401 61555.09  706.662  461.495   3.0930  461.604   2.6507 -0.1090088 4.073451 
1 1 1    3   13  -19 o  154.827   2.0781  6906.64  165.432  6968.28  317.724  6883.71  193.770  155.282   3.5428  154.373   2.1733 0.9085999 4.156295 
1 1 1    3   14  -19 o  303.160   1.6211 26544.45  283.675 26689.50  408.453 26409.31  394.277  303.959   2.3267  302.362   2.2578 1.596497 3.242117 
1 1 1    3   15  -19 o  109.816   1.8732  3493.32  113.200  3514.46  140.438  3454.11  191.267  110.300   2.2046  109.331   3.0291 0.9682922 3.746391 
1 1 1    3   16  -19 o  178.083   1.8382  9167.79  178.407  9148.63  308.281  9177.43  218.762  177.927   3.0000  178.239   2.1251 -0.3121490 3.676414 
1 1 1    3   17  -19 o  127.489   1.7195  4663.31  124.634  4877.04  196.114  4518.50  161.426  129.917   2.6137  125.061   2.2349 4.856270 3.438945 
1 1 1    3   18  -19 o  290.967   1.6383 24455.54  275.123 24602.54  397.083 24319.82  381.548  291.805   2.3562  290.129   2.2771 1.676208 3.276650 
1 1 1    3   19  -19 o  347.188   1.6296 34915.49  320.292 35274.73  414.964 34386.05  503.765  349.424   2.0562  344.953   2.5286 4.470978 3.259140 
1 1 1    3   20  -19 o   64.165   2.8820  1177.27  104.787  1122.74  134.333  1262.03  167.471   62.300   3.7334   66.030   4.3915 -3.729942 5.763999 
1 1 1    3   21  -19 o  145.132   1.8048  6105.12  145.920  6022.21  239.658  6153.97  183.947  144.329   2.8751  145.935   2.1825 -1.605301 3.609620 
1 1 1    3   22  -19 o  181.290   1.2832  9548.40  127.250  9329.67  217.074  9662.92  157.067  179.685   2.0918  182.896   1.4870 -3.211014 2.566414 
1 1 1    3   23  -19 o  278.808   1.1957 22482.14  190.744 22277.96  289.527 22638.73  253.546  277.679   1.8053  279.937   1.5682 -2.257904 2.391370 
1 1 1    3   24  -19 o  187.221   1.8308 10181.74  185.967  9993.86  322.823 10275.06  227.508  185.883   3.0070  188.558   2.0891 -2.675400 3.661531 
1 1 1    3   25  -19 o  273.427   1.4556 21553.91  222.764 21818.34  364.018 21395.60  281.662  274.738   2.2941  272.116   1.7922 2.622375 2.911196 
1 1 1    3   26  -19 o   48.016   3.3158  677.864   89.186  628.033  141.897  710.404  114.666   46.509   5.2826   49.522   4.0091 -3.012619 6.631661 
1 1 1    3   27  -19 o   88.417   2.8659  2241.49  115.348  2303.00  264.621  2227.07  128.164   89.071   5.1440   87.764   2.5285 1.307251 5.731890 
1 1 1    3   28  -19 o   42.435   4.7652  527.916  109.269  515.996  136.007  549.617  183.514   42.137   5.5887   42.733   7.7198 -0.5958519 9.530454 
1 1 1    3   29  -19 o   35.905   6.3002  379.633  134.211  232.123  180.044  564.107  201.342   28.647   9.4107   43.163   8.3789 -14.51575 12.60031 
1 1 1    3   30  -19 o  198.189   2.3384 11357.00  267.655 11357.00  267.655   0.0000   0.0000  198.189   2.3384  ?   ?       ?      ? 
1 1 1    3   31  -19 o   73.209   2.7026  1551.00  114.086  1512.87  156.212  1594.58  167.013   72.252   3.7435   74.166   3.8991 -1.914383 5.405246 
1 1 1    3   32  -19 o  145.540   2.5069  6112.27  198.832  6059.51  243.250  6218.50  345.151  144.682   2.9111  146.397   4.0822 -1.714966 5.013809 
1 1 1    3   33  -19 o  106.387   2.4963  3275.01  153.379   0.0000   0.0000  3275.01  153.379  ?   ?   106.387   2.4963      ?      ? 
1 1 1    3   34  -19 o   35.934   7.4610  359.748  153.486  299.910  181.742  508.572  286.615   31.450   9.3322   40.418   11.644 -8.968460 14.92204 
1 1 1    3   35  -19 o  213.385   2.3564 13212.01  290.135 13163.36  401.491 13265.19  419.743  212.996   3.2638  213.775   3.3997 -0.7790985 4.712767 
1 1 1    3   36  -19 o   82.335   2.5840  1960.16  111.999  1943.66  133.106  2000.16  207.264   81.865   2.8152   82.804   4.3340 -0.9387512 5.168068 
1 1 1    3   37  -19 o   48.893   6.3080  783.036  124.733  672.316  311.660  804.154  136.110   45.366   11.788   52.420   4.4958 -7.053810 12.61604 
1 1 1    3   38  -19 o   13.099   4.5795 -384.2791  124.300 -449.4685  167.174 -303.6810  185.884   11.733   5.8709   14.464   7.0298 -2.731578 9.158910 
1 1 1    3   39  -19 o   89.539   3.1060  2466.03  131.981  2171.26  273.842  2555.21  150.630   85.381   5.5534   93.698   2.7835 -8.316895 6.211912 
1 1 1    3   40  -19 o   85.987   4.1571  2182.02  206.447  2182.02  206.447   0.0000   0.0000   85.987   4.1571  ?   ?       ?      ? 
1 1 1    3   41  -19 o   81.565   3.5356  1942.53  156.262  2150.02  278.760  1847.45  188.698   84.180   5.7337   78.950   4.1384 5.230469 7.071175 
1 1 1    3   42  -19 o   69.546   4.5814  1547.16  165.701  1380.84  298.074  1621.54  199.341   65.598   7.8677   73.493   4.6964 -7.894867 9.162767 
1 1 1    3   43  -19 o   16.832   5.8199 -386.2750  186.442 -402.0120  251.633 -367.1203  277.616   16.105   7.9018   17.559   8.5468 -1.454113 11.63984 
1 1 1    3   44  -19 o   63.317   5.1543  1355.49  173.986  1533.39  220.098  1059.15  284.071   70.642   5.3947   55.992   8.7844 14.64951 10.30867 
1 1 1    3   45  -19 o   97.675   3.2295  2865.43  173.603  2793.32  214.271  3003.20  296.175   96.608   3.8403   98.743   5.1935 -2.135452 6.459099 
1 1 1    3   46  -19 o  126.988   3.0549  4780.29  224.051   0.0000   0.0000  4780.29  224.051  ?   ?   126.988   3.0549      ?      ? 
1 1 1    3    0  -20 o  159.685   2.3823  7374.57  219.447  7400.55  313.538  7349.62  307.246  159.959   3.3973  159.411   3.3405 -0.000000 0.000000 
1 1 1    3    1  -20 o  117.041   1.8700  3970.16  122.393  3903.42  198.984  4010.78  155.232  116.242   2.9639  117.839   2.2809 -1.596611 3.739978 
1 1 1    3    2  -20 o  342.896   1.5072 33958.24  298.476 33754.65  420.356 34165.27  423.885  341.859   2.1290  343.932   2.1340 -2.072876 3.014414 
1 1 1    3    3  -20 o  840.789   4.0498 204436.59  1966.36 204030.59  2800.12 204831.70  2761.98  839.956   5.7721  841.622   5.6822 -1.666138 8.099692 
1 1 1    3    4  -20 o  127.142   1.8032  4662.85  129.821  4636.46  167.600  4702.44  205.262  126.697   2.2905  127.588   2.7856 -0.8911896 3.606333 
1 1 1    3    5  -20 o  264.439   1.3788 20263.87  200.057 19980.50  339.888 20414.08  247.464  263.012   2.2376  265.865   1.6116 -2.853149 2.757542 
1 1 1    3    6  -20 o   67.593   3.9952  1380.82  132.017  1438.31  152.540  1209.26  263.515   70.551   3.7437   64.635   7.0592 5.916222 7.990440 
1 1 1    3    7  -20 o  131.572   1.8306  5006.17  138.734  5082.71  190.247  4919.23  202.750  132.649   2.4833  130.495   2.6902 2.154282 3.661136 
1 1 1    3    8  -20 o  122.166   1.5732  4309.55  110.944  4270.67  154.171  4351.30  159.776  121.595   2.1953  122.737   2.2540 -1.141594 3.146420 
1 1 1    3    9  -20 f  220.388   1.8736 14024.09  224.689 14053.44  389.885 14009.50  274.936  220.546   3.0609  220.230   2.1616 0.3159637 3.747217 
1 1 1    3   10  -20 o  126.006   1.6845  4578.83  119.285  4553.27  151.858  4620.00  192.751  125.553   2.0942  126.460   2.6391 -0.9068451 3.369081 
1 1 1    3   11  -20 o  260.571   2.0255 19502.35  280.671 19910.93  510.821 19325.66  335.921  262.488   3.3696  258.654   2.2487 3.834167 4.051008 
1 1 1    3   12  -20 o  ?   ?  -805.3192  107.756   0.0000   0.0000 -805.3192  107.756  ?   ?   ?   ?       ?      ? 
1 1 1    3   13  -20 o  302.935   1.6680 26512.18  291.817 26421.92  413.792 26601.49  411.599  302.421   2.3691  303.448   2.3486 -1.027008 3.335933 
1 1 1    3   14  -20 o  297.443   2.1897 25447.10  342.374 25277.36  406.506 25861.38  635.074  295.792   2.3795  299.093   3.6765 -3.300781 4.379359 
1 1 1    3   15  -20 o  270.483   1.7414 20977.85  245.189 20771.37  288.960 21508.75  463.354  268.155   1.8658  272.810   2.9408 -4.654510 3.482756 
1 1 1    3   16  -20 o  198.783   1.7512 11417.17  196.260 11415.47  251.601 11419.81  313.652  198.777   2.1916  198.788   2.7319 -0.1161194E-01 3.502370 
1 1 1    3   17  -20 o  159.675   2.2995  7374.66  211.880  7272.23  304.800  7470.44  294.740  158.597   3.3276  160.752   3.1747 -2.155563 4.599084 
1 1 1    3   18  -20 o  220.971   1.5210 14102.60  193.879 14217.65  281.579 13998.88  267.347  221.825   2.1979  220.117   2.1030 1.707855 3.041911 
1 1 1    3   19  -20 o  204.320   1.7027 11981.30  169.160 12219.19  354.236 11911.03  192.531  205.583   2.9835  203.058   1.6417 2.525482 3.405325 
1 1 1    3   20  -20 o  261.074   1.4052 19601.17  207.755 20158.29  329.935 19235.15  267.431  264.120   2.1629  258.029   1.7946 6.091095 2.810464 
1 1 1    3   21  -20 f  155.569   1.2779  6991.21  114.747  7027.36  165.355  6957.63  159.364  155.956   1.8358  155.183   1.7781 0.7730103 2.555768 
1 1 1    3   22  -20 o  300.801   1.3440 26143.46  233.245 26117.24  322.551 26172.19  337.686  300.647   1.8576  300.955   1.9428 -0.3077698 2.687967 
1 1 1    3   23  -20 o  184.044   1.6854  9791.38  158.324  9791.78  306.913  9791.23  184.813  184.003   2.8881  184.086   1.7383 -0.8383179E-01 3.370842 
1 1 1    3   24  -20 o   52.587   4.0510  883.331   94.754  679.472  206.931  937.416  106.585   48.255   7.4250   56.919   3.2423 -8.663750 8.102088 
1 1 1    3   25  -20 o  173.546   1.9691  8686.58  176.333  8763.61  336.661  8657.46  206.999  174.016   3.3498  173.076   2.0708 0.9400940 3.938216 
1 1 1    3   26  -20 o  148.256   1.8261  6363.23  156.140  6174.03  224.754  6539.72  217.077  146.117   2.6633  150.395   2.4992 -4.277695 3.652269 
1 1 1    3   27  -20 o  189.650   1.8349 10374.42  164.507 10446.50  357.156 10355.01  185.338  189.992   3.2549  189.308   1.6952 0.6834259 3.669877 
1 1 1    3   28  -20 o  179.506   1.4725  9308.99  140.454  9325.73  254.790  9301.68  168.342  179.588   2.4565  179.423   1.6245 0.1654663 2.945096 
1 1 1    3   29  -20 o  207.357   1.4296 12418.03  166.293 12471.42  269.673 12385.27  211.235  207.693   2.2482  207.022   1.7667 0.6716614 2.859288 
1 1 1    3   30  -20 o   75.085   4.9413  1638.26  214.278  1638.26  214.278   0.0000   0.0000   75.085   4.9413  ?   ?       ?      ? 
1 1 1    3   31  -20 o   74.170   4.3638  1651.29  172.385  1483.89  301.879  1732.29  209.990   71.134   7.3480   77.206   4.7094 -6.072227 8.727609 
1 1 1    3   32  -20 o  117.849   2.2605  4030.31  152.008  4066.08  200.545  3982.01  233.041  118.496   2.9304  117.202   3.4428 1.293694 4.521060 
1 1 1    3   33  -20 o   85.329   3.5690  2050.56  163.004  2315.13  299.596  1939.31  194.276   88.969   5.8306   81.688   4.1179 7.280998 7.138076 
1 1 1    3   34  -20 o   76.884   3.6096  1716.86  160.278   0.0000   0.0000  1716.86  160.278  ?   ?    76.884   3.6096      ?      ? 
1 1 1    3   35  -20 o  151.065   1.8355  6618.65  157.974  6643.81  207.314  6583.83  243.947  151.453   2.3701  150.678   2.8032 0.7754059 3.670905 
1 1 1    3   36  -20 o  119.610   2.6484  4129.60  166.245  4075.24  196.942  4264.35  310.081  118.475   2.8782  120.744   4.4466 -2.268402 5.296810 
1 1 1    3   37  -20 o   53.021   4.6248  839.094  141.529  881.628  202.495  798.474  197.888   54.358   6.4501   51.684   6.6294 2.673824 9.249513 
1 1 1    3   38  -20 o   74.351   4.1123  1743.45  143.670  1822.99  163.993  1480.87  297.960   78.951   3.5965   69.751   7.3965 9.200119 8.224516 
1 1 1    3   39  -20 o   99.081   2.7132  2905.58  127.711  2921.04  144.562  2850.61  272.560  100.192   2.4982   97.970   4.8170 2.221954 5.426340 
1 1 1    3   40  -20 o   69.294   3.8416  1417.14  153.744  1417.14  153.744   0.0000   0.0000   69.294   3.8416  ?   ?       ?      ? 
1 1 1    3   41  -20 o   26.363   7.2352  193.650  161.767  268.691  216.623   99.045  243.227   28.629   10.287   24.097   10.177 4.531942 14.47046 
1 1 1    3   42  -20 o   18.272   5.9722 -209.4709  147.877 -388.4297  187.652   83.763  240.207   13.178   6.5322   23.367   9.9999 -10.18950 11.94432 
1 1 1    3   43  -20 o   50.539   7.7718  947.217  217.918  948.201  285.027  945.833  338.087   51.672   9.9114   49.406   11.974 2.266434 15.54368 
1 1 1    3   44  -20 o  105.519   2.4564  3306.84  149.311  3326.31  219.348  3290.03  203.821  105.705   3.5930  105.333   3.3504 0.3719711 4.912705 
1 1 1    3   45  -20 o   55.228   5.1723  996.420  162.940  928.020  211.906  1095.36  254.857   53.348   6.8776   57.108   7.7270 -3.760136 10.34451 
1 1 1    3    0  -21 o  577.501   3.4404 96617.93  1085.38 95682.85  1862.20 97099.02  1335.73  575.299   5.6058  579.703   3.9900 -0.000000 0.000000 
1 1 1    3    1  -21 f  127.712   1.8487  4712.73  136.144  4693.68  197.931  4729.83  187.560  127.466   2.6886  127.959   2.5380 -0.4925385 3.697307 
1 1 1    3    2  -21 o  431.026   1.6490 53674.15  408.220 53751.34  549.296 53578.93  610.098  431.379   2.2048  430.673   2.4528 0.7059631 3.298080 
1 1 1    3    3  -21 o  104.141   1.6729  3141.58   93.710  3157.00  113.609  3108.75  165.752  104.548   1.8815  103.734   2.7666 0.8138046 3.345800 
1 1 1    3    4  -21 o  437.414   2.2519 55265.11  567.397 55526.04  834.192 55040.46  774.023  438.365   3.2949  436.462   3.0706 1.903198 4.503885 
1 1 1    3    5  -21 o   59.189   2.9721  1022.45   99.807  955.949  153.557  1071.09  131.331   57.500   4.6240   60.878   3.7353 -3.377769 5.944228 
1 1 1    3    6  -21 o  232.126   1.7409 15562.65  233.388   0.0000   0.0000 15562.65  233.388  ?   ?   232.126   1.7409      ?      ? 
1 1 1    3    7  -21 o   70.105   2.9699  1423.10  119.194  1438.50  158.882  1403.29  180.269   70.545   3.8996   69.665   4.4804 0.8797150 5.939788 
1 1 1    3    8  -21 o  100.232   2.4869  2892.34  142.053  2971.00  220.854  2836.84  185.521  101.383   3.7718   99.080   3.2421 2.303085 4.973708 
1 1 1    3    9  -21 o   98.658   2.5063  2838.27  126.841  2758.55  242.182  2868.41  148.897   97.674   4.2932   99.641   2.5874 -1.967514 5.012568 
1 1 1    3   10  -21 o   43.494   6.5884  548.072  165.498  548.072  165.498   0.0000   0.0000   43.494   6.5884  ?   ?       ?      ? 
1 1 1    3   11  -21 o  173.405   2.2642  8686.79  226.755  8686.79  226.755   0.0000   0.0000  173.405   2.2642  ?   ?       ?      ? 
1 1 1    3   12  -21 f  224.636   1.3597 14554.01  172.239 14680.31  275.690 14473.15  220.588  225.427   2.1175  223.846   1.7063 1.580917 2.719432 
1 1 1    3   13  -21 o  156.489   1.9174  7074.15  173.289  7074.15  173.289   0.0000   0.0000  156.489   1.9174  ?   ?       ?      ? 
1 1 1    3   14  -21 o  251.817   1.3926 18333.15  201.104 18441.99  269.323 18196.00  302.338  252.668   1.8456  250.965   2.0859 1.702881 2.785181 
1 1 1    3   15  -21 o  275.493   1.4540 21945.74  226.252 21837.35  359.238 22017.01  291.281  274.915   2.2626  276.071   1.8269 -1.155792 2.908014 
1 1 1    3   16  -21 o   68.109   3.5870  1318.68  134.326  1265.35  164.724  1424.52  232.071   66.121   4.3135   70.097   5.7324 -3.975388 7.174059 
1 1 1    3   17  -21 o  161.195   1.2474  7516.25  114.794  7441.21  175.751  7572.09  151.600  160.488   1.8961  161.903   1.6213 -1.415451 2.494772 
1 1 1    3   18  -21 o  345.125   1.6779 34398.48  326.450 34307.59  418.182 34540.28  522.335  344.572   2.1014  345.678   2.6163 -1.106262 3.355725 
1 1 1    3   19  -21 o  278.371   1.6437 22395.93  264.251 22548.59  374.006 22243.76  373.410  279.319   2.3184  277.423   2.3305 1.895691 3.287333 
1 1 1    3   20  -21 o  143.593   1.5992  5950.16  131.767  6037.99  198.605  5881.10  176.110  144.531   2.3793  142.654   2.1375 1.877029 3.198433 
1 1 1    3   21  -21 o   80.363   2.9658  1917.15  115.261  1785.86  237.549  1957.58  131.817   78.449   5.2430   82.278   2.7740 -3.829552 5.931638 
1 1 1    3   22  -21 o  308.020   1.5483 27415.69  271.117 27458.42  422.645 27385.80  353.412  308.199   2.3744  307.840   1.9878 0.3594055 3.096644 
1 1 1    3   23  -21 o   25.886   7.3459   99.455  166.127  145.107  209.430   21.983  272.823   26.276   9.9883   25.496   10.774 0.7799816 14.69172 
1 1 1    3   24  -21 o   65.707   3.2043  1274.51  118.285  1366.88  154.004  1141.62  184.711   68.698   3.8815   62.716   5.0995 5.982464 6.408693 
1 1 1    3   25  -21 o   22.917   6.8647   12.707  156.997   14.065  215.369   11.168  229.344   22.611   9.5649   23.222   9.8493 -0.6102676 13.72935 
1 1 1    3   26  -21 o  176.717   1.5063  9028.10  153.570  8993.81  222.165  9059.48  212.518  176.392   2.1808  177.042   2.0784 -0.6508331 3.012574 
1 1 1    3   27  -21 o  255.419   1.8977 18761.32  269.625 19267.21  448.772 18475.56  337.286  258.045   3.0112  252.792   2.3102 5.252502 3.795334 
1 1 1    3   28  -21 o   55.206   3.5457  895.416  111.721  765.323  161.773  1014.03  154.473   51.298   5.4603   59.114   4.5246 -7.815594 7.091367 
1 1 1    3   29  -21 o  185.924   2.1649  9976.66  225.592 10130.67  367.591  9883.61  285.728  187.018   3.4033  184.830   2.6767 2.187622 4.329763 
1 1 1    3   30  -21 o   75.097   4.3221  1637.43  187.455  1637.43  187.455   0.0000   0.0000   75.097   4.3221  ?   ?       ?      ? 
1 1 1    3   31  -21 o  147.781   2.6555  6353.74  225.221  6165.09  335.134  6509.10  304.138  145.732   3.9818  149.829   3.5147 -4.097183 5.311098 
1 1 1    3   32  -21 o  117.162   2.8810  3961.27  183.124  4070.20  321.404  3908.91  222.831  118.223   4.7072  116.101   3.3232 2.121773 5.762070 
1 1 1    3   33  -21 o  201.700   2.4619 11852.91  284.428 12160.53  381.530 11468.07  426.740  204.733   3.2267  198.667   3.7192 6.066055 4.923833 
1 1 1    3   34  -21 o  111.768   2.8975  3555.28  175.378  3882.65  313.104  3405.61  211.706  115.272   4.7031  108.265   3.3858 7.006729 5.795038 
1 1 1    3   35  -21 o  170.358   2.0908  8437.93  197.906  8463.75  248.337  8393.00  327.617  170.849   2.5168  169.868   3.3394 0.9803162 4.181600 
1 1 1    3   36  -21 o   83.133   3.0191  2025.28  144.682  2036.97  198.926  2012.15  210.813   83.426   4.1286   82.840   4.4063 0.5863953 6.038271 
1 1 1    3   37  -21 o   24.085   6.1684  138.160  112.968   61.755  148.760  242.248  173.631   20.087   8.1715   28.082   9.2424 -7.994743 12.33676 
1 1 1    3   38  -21 o   73.704   3.6272  1549.05  131.227  1754.24  276.417  1489.34  149.100   76.153   6.2848   71.255   3.6230 4.897758 7.254333 
1 1 1    3   39  -21 o   49.810   5.9529  820.451  124.498  833.160  137.590  763.047  292.428   52.936   4.5004   46.684   11.022 6.252197 11.90582 
1 1 1    3   40  -21 o   30.826   9.6757  325.369  191.812   0.0000   0.0000  325.369  191.812  ?   ?    30.826   9.6757      ?      ? 
1 1 1    3   41  -21 o   46.907   6.2949  698.072  156.383  918.855  277.558  595.388  189.288   51.456   9.6954   42.358   8.0314 9.097588 12.58989 
1 1 1    3   42  -21 o   60.757   5.0787  1128.40  170.923  1001.58  209.514  1380.76  295.546   56.485   6.4223   65.028   7.8694 -8.542889 10.15743 
1 1 1    3   43  -21 o  104.848   3.0797  3394.27  170.374  3103.12  303.114  3528.73  205.993  100.507   5.2219  109.189   3.2665 -8.682083 6.159393 
1 1 1    3   44  -21 o   31.651   7.2807  383.499  152.811  344.950  211.152  425.892  221.430   30.146   10.198   33.156   10.394 -3.009666 14.56147 
1 1 1    3   45  -21 o   37.817   8.7107  646.541  219.323  744.725  320.283  559.847  300.958   40.500   12.469   35.134   12.167 5.366264 17.42139 
1 1 1    3    0  -22 o   12.638   6.1732 -164.3911  150.126 -237.9053  241.866 -118.3182  191.475   12.795   8.9350   12.481   8.5206 -0.000000 0.000000 
1 1 1    3    1  -22 o  304.742   1.5487 26814.30  267.887 26892.29  419.863 26760.76  347.902  305.106   2.3827  304.377   1.9791 0.7284241 3.097418 
1 1 1    3    2  -22 o  152.145   1.4773  6644.77  123.705  6551.02  152.732  6823.55  210.920  150.602   1.7560  153.689   2.3762 -3.086899 2.954643 
1 1 1    3    3  -22 o  106.866   2.1377  3275.50  125.908  3219.72  155.603  3381.30  214.280  105.567   2.5521  108.164   3.4302 -2.596207 4.275439 
1 1 1    3    4  -22 o   25.597   5.7845  175.026  110.577  297.458  140.768 -22.2562  178.690   31.410   7.7963   19.784   8.5476 11.62562 11.56904 
1 1 1    3    5  -22 o  294.299   1.5063 25019.47  252.715 25018.43  331.807 25020.90  389.989  294.300   1.9521  294.298   2.2945 0.1525879E-02 3.012530 
1 1 1    3    6  -22 o  114.623   1.7860  3806.56  112.221  3761.78  191.152  3830.11  138.625  114.098   2.9008  115.147   2.0845 -1.049767 3.572081 
1 1 1    3    7  -22 o  187.679   1.7508 10154.66  163.250 10219.79  330.273 10133.61  187.795  188.053   3.0409  187.306   1.7360 0.7472076 3.501567 
1 1 1    3    8  -22 o  186.554   1.4289  9981.26  150.839 10405.91  240.828  9707.13  193.493  189.790   2.1971  183.318   1.8276 6.471527 2.857836 
1 1 1    3    9  -22 o  446.566   1.9355 57362.87  469.739 58401.45  820.267 56856.08  572.999  449.510   3.1596  443.622   2.2364 5.887756 3.871000 
1 1 1    3   10  -22 o  234.298   1.5529 15859.74  210.127 15847.87  298.434 15871.41  295.912  234.211   2.2063  234.386   2.1860 -0.1748962 3.105812 
1 1 1    3   11  -22 o  232.105   1.6765 15384.56  181.391 15260.95  203.019 15873.76  403.876  229.859   1.5293  234.351   2.9840 -4.491653 3.353046 
1 1 1    3   12  -22 o   21.502   5.9330   56.828  112.968  159.243  158.824 -48.0365  160.713   25.021   8.8273   17.983   7.9298 7.038765 11.86600 
1 1 1    3   13  -22 o  299.194   1.6804 25867.14  290.360 26171.38  411.122 25564.35  410.141  300.950   2.3653  297.438   2.3876 3.512512 3.360828 
1 1 1    3   14  -22 o   22.682   5.9027   47.696  117.537 -126.0427  160.883  246.582  172.133   16.144   7.4411   29.220   9.1649 -13.07590 11.80534 
1 1 1    3   15  -22 o  112.496   2.7819  3630.01  173.960  3779.07  290.940  3547.08  217.028  114.247   4.4093  110.744   3.3932 3.503235 5.563807 
1 1 1    3   16  -22 o  110.002   2.4363  3543.16  144.637  3624.48  176.727  3378.21  251.706  111.972   2.7328  108.032   4.0342 3.939934 4.872655 
1 1 1    3   17  -22 o  148.846   1.9344  6401.56  166.288  6401.56  166.288   0.0000   0.0000  148.846   1.9344  ?   ?       ?      ? 
1 1 1    3   18  -22 o   85.039   3.3890  2123.91  161.640  1972.89  256.549  2223.33  208.152   82.456   5.3872   87.622   4.1132 -5.165291 6.777931 
1 1 1    3   19  -22 f  153.962   2.0940  6821.00  175.796  6960.96  305.099  6751.43  215.090  155.100   3.4060  152.824   2.4369 2.275818 4.188004 
1 1 1    3   20  -22 o  110.099   2.0374  3501.42  125.154  3488.98  157.652  3522.61  205.811  109.856   2.4848  110.341   3.2296 -0.4847870 4.074858 
1 1 1    3   21  -22 o  195.979   1.4561 11111.27  162.944 11175.84  215.215 11024.53  249.427  196.659   1.8948  195.299   2.2114 1.360092 2.912137 
1 1 1    3   22  -22 o   56.707   4.2418  952.394  133.688  866.867  215.624  1005.80  170.390   54.540   6.8453   58.873   5.0112 -4.332386 8.483543 
1 1 1    3   23  -22 o   67.522   4.0352  1363.72  131.428  1254.32  270.705  1397.47  150.335   65.575   7.1478   69.469   3.7470 -3.894043 8.070425 
1 1 1    3   24  -22 o  106.828   2.2080  3327.95  129.174  3385.51  159.878  3219.73  219.218  108.204   2.5583  105.452   3.5994 2.751526 4.415999 
1 1 1    3   25  -22 o  134.456   2.5790  5296.92  177.845  5100.79  338.744  5371.56  208.961  132.628   4.4223  136.284   2.6548 -3.656357 5.158014 
1 1 1    3   26  -22 o  236.334   1.2918 16134.84  176.000 16244.31  257.263 16038.52  241.305  237.082   1.8789  235.586   1.7735 1.496201 2.583683 
1 1 1    3   27  -22 o  114.603   2.1182  3815.89  139.202  3940.42  187.840  3664.19  207.323  116.702   2.7869  112.504   3.1908 4.198235 4.236488 
1 1 1    3   28  -22 o   96.910   1.9710  2721.20  104.405  2706.92  179.158  2728.55  128.475   96.685   3.2084   97.136   2.2901 -0.4514542 3.941909 
1 1 1    3   29  -22 o  197.003   1.9147 11189.49  205.717 11360.84  356.445 11103.91  251.904  198.059   3.1161  195.946   2.2259 2.112717 3.829478 
1 1 1    3   30  -22 o   84.875   3.4656  2152.84  139.613  1998.94  294.724  2197.36  158.528   82.666   6.1731   87.085   3.1520 -4.418411 6.931211 
1 1 1    3   31  -22 o   41.217   7.1104  503.716  150.235  574.110  303.772  480.923  172.855   42.746   11.878   39.687   7.8194 3.058887 14.22077 
1 1 1    3   32  -22 o  109.780   2.8685  3587.66  147.794  3366.06  317.742  3648.84  166.954  107.322   5.1263  112.239   2.5756 -4.916443 5.736905 
1 1 1    3   33  -22 o  199.470   2.4782 11579.65  284.929 11796.80  392.978 11338.97  413.722  201.492   3.3770  197.449   3.6280 4.042816 4.956445 
1 1 1    3   34  -22 f   44.734   7.1465  622.671  175.437  703.125  290.038  576.251  220.309   46.700   10.945   42.768   9.1928 3.931309 14.29305 
1 1 1    3   35  -22 o  184.136   1.8063  9852.77  191.675 10022.55  263.823  9662.98  278.947  185.853   2.4579  182.419   2.6477 3.434326 3.612669 
1 1 1    3   36  -22 o   92.947   4.0680  2534.90  218.375   0.0000   0.0000  2534.90  218.375  ?   ?    92.947   4.0680      ?      ? 
1 1 1    3   37  -22 f   87.350   2.5859  2246.33  126.450  2205.99  204.693  2271.23  160.802   86.539   4.0955   88.161   3.1581 -1.622467 5.171761 
1 1 1    3   38  -22 o  128.518   2.5554  4859.63  181.813  4859.91  303.540  4859.48  227.049  128.178   4.1003  128.857   3.0509 -0.6797485 5.110819 
1 1 1    3   39  -22 o   52.743   4.6076  861.927  139.560  754.208  195.315  974.298  199.486   49.171   6.8777   56.316   6.1333 -7.145741 9.215201 
1 1 1    3   40  -22 o   75.791   3.0165  1700.88  126.462  1771.98  213.389  1662.40  157.005   76.647   4.8205   74.935   3.6278 1.712242 6.033094 
1 1 1    3   41  -22 o   84.966   3.7174  2327.95  143.307  2420.51  161.660  1988.33  309.662   90.655   3.0876   79.277   6.7632 11.37823 7.434710 
1 1 1    3   42  -22 o   40.152   6.4500  622.073  117.844  458.628  292.018  653.869  128.797   33.938   11.970   46.367   4.8097 -12.42893 12.89996 
1 1 1    3   43  -22 o   49.883   6.5759  993.097  152.039  1099.19  175.451  673.225  304.645   59.726   5.0864   40.040   12.128 19.68555 13.15175 
1 1 1    3   44  -22 o   37.463   6.8617  470.949  142.994  470.949  142.994   0.0000   0.0000   37.463   6.8617  ?   ?       ?      ? 
1 1 1    3    0  -23 o   23.535   8.2952  233.982  132.790  209.371  244.778  244.246  158.071   22.887   12.659   24.183   10.723 -0.000000 0.000000 
1 1 1    3    1  -23 o   62.717   3.1027  1131.13  112.011  1265.69  165.235  1016.73  152.361   66.149   4.3251   59.285   4.4498 6.864441 6.205422 
1 1 1    3    2  -23 o   90.319   2.1195  2280.18  101.881  2555.76  189.085  2167.44  120.937   94.026   3.4820   86.613   2.4176 7.412865 4.238993 
1 1 1    3    3  -23 o  202.646   1.4216 11867.96  160.507 11881.95  202.014 11843.99  264.331  202.818   1.7246  202.475   2.2604 0.3439178 2.843207 
1 1 1    3    4  -23 o  252.454   1.3791 18281.91  188.746 18042.58  229.452 18782.77  331.932  249.931   1.5896  254.976   2.2541 -5.044800 2.758182 
1 1 1    3    5  -23 o  143.572   1.3798  5960.80  113.989  6030.38  155.197  5879.30  167.969  144.485   1.8598  142.659   2.0387 1.826065 2.759562 
1 1 1    3    6  -23 o  125.960   1.5606  4565.80  111.560  4679.45  175.822  4489.21  144.335  127.261   2.3922  124.658   2.0048 2.603203 3.121150 
1 1 1    3    7  -23 o  152.894   1.5532  6753.08  137.088  6729.10  190.741  6778.69  197.162  152.615   2.1640  153.174   2.2287 -0.5591431 3.106470 
1 1 1    3    8  -23 f  345.323   2.2595 34211.11  376.102 33999.93  426.483 34949.89  797.676  343.047   2.1526  347.599   3.9734 -4.552094 4.519024 
1 1 1    3    9  -23 o  152.882   1.5586  6763.52  134.338  6705.22  214.235  6801.30  172.456  152.329   2.4351  153.435   1.9461 -1.105957 3.117236 
1 1 1    3   10  -23 o   65.342   2.8121  1224.13  105.563  1344.93  159.628  1130.24  140.728   68.179   4.0539   62.505   3.8983 5.673538 5.624176 
1 1 1    3   11  -23 o   32.855   6.4093  324.022  117.251  324.022  117.251   0.0000   0.0000   32.855   6.4093  ?   ?       ?      ? 
1 1 1    3   12  -23 o   74.171   3.7659  1668.35  145.765  1783.65  175.924  1415.85  260.347   78.513   3.8797   69.828   6.4556 8.685265 7.531740 
1 1 1    3   13  -23 o  204.123   1.4671 12050.26  170.234 11977.79  264.935 12101.22  222.166  203.589   2.2532  204.658   1.8796 -1.068680 2.934243 
1 1 1    3   14  -23 o  160.505   2.3281  7468.83  213.308  7569.89  282.089  7333.89  325.973  161.796   3.0188  159.213   3.5450 2.583511 4.656204 
1 1 1    3   15  -23 o   56.959   4.4430  952.084  122.431  925.641  254.841  960.018  139.596   56.340   7.8318   57.577   4.1979 -1.236717 8.885977 
1 1 1    3   16  -23 o  142.218   1.6214  5834.29  129.693  5896.52  209.188  5795.43  165.295  142.818   2.5361  141.617   2.0210 1.201431 3.242859 
1 1 1    3   17  -23 o  203.567   1.5811 11968.56  185.216 12076.93  274.388 11877.85  251.038  204.405   2.3243  202.728   2.1441 1.677246 3.162165 
1 1 1    3   18  -23 o  301.792   2.1934 26360.87  353.304 26382.30  425.142 26313.02  635.169  302.093   2.4367  301.491   3.6478 0.6019592 4.386805 
1 1 1    3   19  -23 o  172.429   2.2774  8598.06  226.279  8535.43  309.230  8670.26  331.997  171.764   3.1172  173.094   3.3210 -1.329681 4.554757 
1 1 1    3   20  -23 o  210.449   2.0623 12754.44  229.351 12949.55  421.450 12672.34  273.377  211.518   3.4500  209.380   2.2607 2.138016 4.124672 
1 1 1    3   21  -23 o  154.161   1.6846  6846.11  146.468  6983.11  234.932  6759.01  187.332  155.401   2.6176  152.922   2.1211 2.478363 3.369103 
1 1 1    3   22  -23 o   61.390   4.8296  1084.52  164.744  1149.65  276.740  1048.77  205.032   62.728   7.6388   60.053   5.9116 2.674713 9.659122 
1 1 1    3   23  -23 o  123.813   2.6747  4603.68  149.741  4178.25  335.696  4709.36  167.308  119.992   4.8441  127.635   2.2697 -7.642609 5.349418 
1 1 1    3   24  -23 o   42.711   6.9433  516.448  146.484  638.223  308.917  481.123  166.379   45.480   11.695   39.943   7.4873 5.536427 13.88663 
1 1 1    3   25  -23 o  137.187   2.5704  5437.77  189.891  5413.23  229.939  5490.39  336.734  136.778   2.9108  137.596   4.2374 -0.8178101 5.140818 
1 1 1    3   26  -23 o   80.519   2.5433  1892.47  113.478  1930.04  142.514  1827.39  187.580   81.658   3.0219   79.380   4.0916 2.278008 5.086502 
1 1 1    3   27  -23 o  100.303   2.9555  3006.52  139.227  2769.67  297.791  3072.78  157.502   97.553   5.2855  103.053   2.6463 -5.500168 5.910949 
1 1 1    3   28  -23 o   60.376   3.0316  1070.02  104.301  1146.46  139.882  974.303  156.524   62.863   3.8528   57.888   4.6817 4.975548 6.063250 
1 1 1    3   29  -23 o  116.172   2.8719  4067.32  153.959  3674.63  335.356  4172.19  173.301  112.276   5.1717  120.068   2.4991 -7.791428 5.743877 
1 1 1    3   30  -23 o  203.689   2.0764 11838.64  215.694 12416.37  423.385 11636.14  250.661  206.831   3.5443  200.546   2.1641 6.284821 4.152809 
1 1 1    3   31  -23 o  143.555   2.7183  5983.96  223.456  6059.24  339.780  5926.59  296.628  144.287   4.0774  142.823   3.5961 1.463989 5.436646 
1 1 1    3   32  -23 o   81.822   3.4732  1893.93  123.531  2061.51  304.121  1860.81  135.185   83.563   6.3016   80.081   2.9229 3.481544 6.946424 
1 1 1    3   33  -23 f  208.278   1.9067 12502.10  179.855 12727.99  414.262 12449.64  199.653  209.115   3.4301  207.441   1.6665 1.674530 3.813462 
1 1 1    3   34  -23 o   85.610   4.1809  2209.07  203.360  2470.04  276.147  1899.85  300.594   91.476   5.2269   79.744   6.5268 11.73269 8.361801 
1 1 1    3   35  -23 o  109.428   3.3066  3567.38  205.853  3294.44  311.945  3777.92  273.976  105.452   5.1220  113.404   4.1831 -7.951294 6.613110 
1 1 1    3   36  -23 f  105.960   3.6225  3293.56  221.684   0.0000   0.0000  3293.56  221.684  ?   ?   105.960   3.6225      ?      ? 
1 1 1    3   37  -23 o   30.891   7.7830  299.914  168.897  366.668  285.175  263.848  209.616   32.980   11.808   28.802   10.143 4.178566 15.56602 
1 1 1    3   38  -23 o   70.383   3.6007  1495.62  146.110  1554.97  203.772  1432.82  209.613   71.929   4.9052   68.837   5.2724 3.092102 7.201315 
1 1 1    3   39  -23 o   70.757   4.3543  1593.84  165.745  1692.88  205.372  1408.85  280.690   74.973   4.7430   66.542   7.3038 8.431137 8.708689 
1 1 1    3   40  -23 o   80.230   5.0007  2077.41  227.716  1756.35  331.992  2362.67  312.932   73.449   7.8263   87.012   6.2271 -13.56306 10.00142 
1 1 1    3   41  -23 o   41.679   6.2568  505.586  121.154  790.118  283.682  442.112  133.987   45.832   10.880   37.526   6.1823 8.306137 12.51368 
1 1 1    3   42  -23 f   20.565   6.5578 -43.5647  160.113 -146.7246  201.435  133.456  263.871   16.752   7.9156   24.377   10.458 -7.624640 13.11569 
1 1 1    3   43  -23 o   58.631   6.2606  1261.69  179.706  1337.78  215.506  1088.02  325.586   64.997   5.7409   52.264   11.128 12.73264 12.52127 
1 1 1    3    0  -24 o  183.333   2.1180  9714.00  223.747  9794.37  326.651  9642.96  307.106  184.041   3.0751  182.624   2.9134 -0.000000 0.000000 
1 1 1    3    1  -24 o  224.722   1.4268 14551.27  180.427 14421.16  230.041 14759.24  290.845  223.432   1.7827  226.013   2.2281 -2.581116 2.853525 
1 1 1    3    2  -24 o  142.464   1.4858  5876.37  120.596  5786.06  185.785  5942.13  158.536  141.510   2.2732  143.418   1.9140 -1.908127 2.971669 
1 1 1    3    3  -24 o  112.678   2.3042  3738.22  126.112  3797.51  144.271  3546.19  259.653  114.645   2.1789  110.711   4.0608 3.933205 4.608479 
1 1 1    3    4  -24 o   30.064   5.9549  267.109  107.813  317.116  159.330  224.873  146.429   32.408   8.4320   27.721   8.4111 4.686428 11.90987 
1 1 1    3    5  -24 o   11.756   4.1427 -402.0345  111.074 -357.7216  145.318 -464.3030  172.261   11.451   5.6884   12.062   6.0241 -0.6111021 8.285357 
1 1 1    3    6  -24 o  126.805   1.6930  4646.73  122.581  4647.27  161.645  4646.01  188.047  126.821   2.2069  126.790   2.5680 0.3077698E-01 3.386024 
1 1 1    3    7  -24 o  142.318   2.2618  5854.90  172.256  5852.09  207.653  5861.10  308.453  142.298   2.5267  142.338   3.7522 -0.3947449E-01 4.523603 
1 1 1    3    8  -24 o  102.974   2.7964  3106.30  158.665  3200.95  198.457  2938.62  264.143  105.209   3.2661  100.739   4.5400 4.469749 5.592749 
1 1 1    3    9  -24 o  200.280   1.9146 11729.12  188.455 11853.18  216.397 11339.65  383.424  202.552   1.8498  198.008   3.3528 4.543716 3.829266 
1 1 1    3   10  -24 o   30.781   6.8460  242.642  133.361  394.638  226.667  162.170  164.927   36.237   10.328   25.324   8.9887 10.91230 13.69209 
1 1 1    3   11  -24 o  153.659   1.5384  6821.37  133.686  6814.26  172.332  6832.11  211.847  153.570   1.9430  153.749   2.3858 -0.1785126 3.076868 
1 1 1    3   12  -24 o  114.044   2.5343  3763.99  156.746  3764.90  191.256  3762.13  273.557  114.106   2.9022  113.983   4.1555 0.1224518 5.068595 
1 1 1    3   13  -24 o   49.202   4.8019  733.216  128.682  548.913  186.741  899.867  177.574   42.723   7.8577   55.681   5.5219 -12.95767 9.603892 
1 1 1    3   14  -24 o   30.838   6.7699  267.713  123.203  293.861  235.240  257.829  144.624   32.376   10.763   29.301   8.2149 3.074974 13.53972 
1 1 1    3   15  -24 o  184.276   1.4647  9783.33  152.864  9966.65  242.164  9661.90  197.096  185.693   2.2580  182.859   1.8663 2.834274 2.929440 
1 1 1    3   16  -24 o   19.112   5.7641  -4.4593  111.335 -27.0115  147.481   25.421  169.760   17.667   7.6985   20.557   8.5809 -2.889759 11.52812 
1 1 1    3   17  -24 o  247.255   2.0738 17700.08  271.739 17725.85  325.230 17640.51  494.566  247.634   2.2740  246.875   3.4687 0.7589722 4.147623 
1 1 1    3   18  -24 o  183.725   1.7691  9772.55  174.742  9795.58  211.629  9723.20  309.763  184.107   1.9903  183.343   2.9254 0.7637177 3.538236 
1 1 1    3   19  -24 o   64.145   3.2453  1170.23  115.899  1111.56  144.111  1277.67  195.013   61.943   4.0283   66.347   5.0893 -4.404053 6.490580 
1 1 1    3   20  -24 o   94.332   3.0715  2546.22  158.527  2478.66  193.934  2682.27  275.206   92.524   3.6292   96.139   4.9565 -3.615082 6.143100 
1 1 1    3   21  -24 o  135.756   1.8294  5359.06  137.860  5220.29  227.551  5439.53  173.280  134.333   2.9330  137.179   2.1871 -2.846207 3.658706 
1 1 1    3   22  -24 o  152.586   1.7107  6755.23  149.752  6510.54  222.784  6956.92  202.263  150.044   2.5709  155.128   2.2576 -5.083923 3.421403 
1 1 1    3   23  -24 f   74.149   2.9986  1584.09  125.030  1550.74  158.797  1638.48  202.809   73.162   3.7581   75.137   4.6736 -1.974503 5.997151 
1 1 1    3   24  -24 o  101.957   2.4721  2998.15  140.153  2964.28  175.408  3057.95  233.077  101.204   3.0010  102.710   3.9292 -1.505188 4.944146 
1 1 1    3   25  -24 o  112.708   3.1625  3667.40  193.372  3748.00  338.979  3628.52  235.438  113.519   5.1703  111.896   3.6432 1.623253 6.324934 
1 1 1    3   26  -24 o  108.966   3.2297  3495.37  184.016  3341.24  338.783  3559.87  219.165  107.093   5.4774  110.838   3.4237 -3.745117 6.459400 
1 1 1    3   27  -24 o   57.038   6.0698  1043.42  159.931  855.119  322.121  1105.03  184.244   52.487   10.979   61.588   5.1797 -9.101303 12.13965 
1 1 1    3   28  -24 o  152.660   2.2385  6778.03  191.781  6655.53  308.771  6854.97  244.705  151.464   3.5297  153.855   2.7539 -2.391632 4.476927 
1 1 1    3   29  -24 o  125.311   1.6438  4556.80  118.659  4273.71  170.180  4824.66  165.536  121.501   2.4252  129.122   2.2198 -7.620720 3.287678 
1 1 1    3   30  -24 o  116.211   2.5942  3988.91  156.924  3778.87  290.354  4075.58  186.510  113.841   4.4161  118.581   2.7233 -4.739502 5.188333 
1 1 1    3   31  -24 o   93.949   3.1097  2563.39  168.730  2563.39  168.730   0.0000   0.0000   93.949   3.1097  ?   ?       ?      ? 
1 1 1    3   32  -24 o   60.041   3.6194  1080.07  117.266  1119.92  143.994  1001.60  202.065   61.923   4.0263   58.159   6.0158 3.764568 7.238812 
1 1 1    3   33  -24 o   19.677   6.5989 -285.3327  145.661   30.549  336.446 -358.1980  161.590   27.027   11.703   12.328   6.1020 14.69910 13.19786 
1 1 1    3   34  -24 o   87.053   3.4552  2317.21  139.007  2111.69  301.421  2372.72  156.661   83.875   6.2223   90.231   3.0062 -6.355476 6.910494 
1 1 1    3   35  -24 o  121.796   1.9325  4290.53  130.313  4438.13  219.516  4210.21  161.933  123.249   3.0839  120.343   2.3299 2.905853 3.865044 
1 1 1    3   36  -24 o   47.406   5.3089  729.652  115.870  673.724  240.091  746.633  132.296   44.732   9.5820   50.081   4.5739 -5.349514 10.61772 
1 1 1    3   37  -24 o   33.864   6.7387  438.201  139.913  203.888  289.370  509.693  159.838   27.920   11.382   39.809   7.2179 -11.88925 13.47744 
1 1 1    3   38  -24 o   18.956   6.2333 -148.5886  161.042 -10.8993  256.052 -238.6999  207.142   21.911   9.8136   16.000   7.6882 5.911051 12.46658 
1 1 1    3   39  -24 o   31.834   7.3120  366.693  153.382  371.928  229.613  362.473  206.113   31.920   10.634   31.748   10.039 0.1713390 14.62403 
1 1 1    3   40  -24 f   41.933   8.4394  692.617  216.367  556.053  292.691  857.165  321.283   37.185   11.984   46.681   11.886 -9.495323 16.87871 
1 1 1    3   41  -24 o   60.145   5.6030  1198.33  175.057  1183.52  207.798  1234.56  324.907   61.390   5.8608   58.900   9.5513 2.490391 11.20606 
1 1 1    3   42  -24 o   32.831   8.2042  450.578  198.064  584.593  288.543  331.167  272.367   36.701   11.907   28.962   11.290 7.739824 16.40835 
1 1 1    3    0  -25 o  199.518   1.7836 11425.76  189.755 11299.21  227.567 11714.53  343.758  197.752   1.9930  201.285   2.9585 -0.000000 0.000000 
1 1 1    3    1  -25 o   53.335   3.4343  814.308  100.885  856.540  172.644  792.409  124.319   54.347   5.5003   52.322   4.1140 2.025528 6.868686 
1 1 1    3    2  -25 o  142.483   1.5409  5835.77  120.732  5767.54  149.000  5966.20  206.012  141.291   1.8259  143.676   2.4827 -2.384140 3.081862 
1 1 1    3    3  -25 o  100.506   2.8126  2935.21  154.477  2887.35  264.456  2959.99  190.322   99.844   4.5861  101.167   3.2573 -1.323135 5.625210 
1 1 1    3    4  -25 o  216.834   1.9337 13629.95  226.911 13701.60  276.651 13482.65  396.651  217.749   2.1998  215.919   3.1808 1.829407 3.867373 
1 1 1    3    5  -25 o  121.730   1.7577  4284.00  120.085  4278.75  194.211  4287.25  152.794  121.656   2.7641  121.804   2.1720 -0.1472397 3.515374 
1 1 1    3    6  -25 o   99.026   1.9387  2857.16  106.161  2914.33  132.965  2756.64  176.315  100.420   2.2926   97.632   3.1269 2.787933 3.877322 
1 1 1    3    7  -25 o   77.001   2.2416  1715.40   99.612  1632.74  140.476  1798.99  141.273   75.132   3.2374   78.870   3.1014 -3.737724 4.483234 
1 1 1    3    8  -25 f  282.439   2.1290 23149.01  318.762 22868.36  578.546 23271.34  381.969  281.123   3.5633  283.755   2.3308 -2.631622 4.257908 
1 1 1    3    9  -25 o   87.101   2.5056  2192.28  122.598  2208.61  198.201  2182.16  156.029   87.343   3.9291   86.860   3.1103 0.4831619 5.011161 
1 1 1    3   10  -25 o  135.660   2.1972  5336.55  159.548  5358.97  192.610  5287.53  284.799  136.157   2.4494  135.162   3.6484 0.9950104 4.394312 
1 1 1    3   11  -25 o  245.550   1.5701 17429.38  222.624 17140.03  315.696 17715.60  313.985  243.520   2.2447  247.580   2.1959 -4.059769 3.140118 
1 1 1    3   12  -25 o  248.719   1.6088 17876.67  231.056 17692.31  323.062 18069.72  330.593  247.408   2.2609  250.030   2.2894 -2.621948 3.217616 
1 1 1    3   13  -25 o  149.099   2.2921  6405.88  185.411  6508.59  324.677  6356.17  225.862  149.933   3.7495  148.265   2.6377 1.668137 4.584284 
1 1 1    3   14  -25 o  111.617   2.5354  3602.02  163.442   0.0000   0.0000  3602.02  163.442  ?   ?   111.617   2.5354      ?      ? 
1 1 1    3   15  -25 o   44.990   6.6707  688.210  159.509  390.546  282.696  827.241  193.202   36.660   11.774   53.320   6.2739 -16.65984 13.34130 
1 1 1    3   16  -25 f  190.619   2.0472 10556.00  211.685 10374.92  367.707 10645.76  258.888  189.336   3.3627  191.902   2.3359 -2.565262 4.094356 
1 1 1    3   17  -25 o   45.318   5.0642  584.604  127.507  485.738  162.743  741.769  205.190   40.201   7.2773   50.435   7.0444 -10.23379 10.12831 
1 1 1    3   18  -25 o  291.216   2.0355 24643.54  297.132 24759.00  343.919 24303.69  590.060  292.689   2.0345  289.742   3.5261 2.946869 4.070989 
1 1 1    3   19  -25 o  212.492   1.5186 12991.62  179.129 13266.89  299.244 12837.90  223.620  214.211   2.4188  210.774   1.8370 3.437271 3.037289 
1 1 1    3   20  -25 o   37.986   5.9403  416.098  119.989  373.827  144.561  509.717  215.136   35.132   7.3602   40.839   9.3260 -5.707169 11.88052 
1 1 1    3   21  -25 o  100.629   2.1299  2898.28  119.168  3046.67  199.628  2816.12  148.536  102.582   3.3695   98.676   2.6064 3.906281 4.259894 
1 1 1    3   22  -25 o  156.117   1.4637  7044.26  131.958  6978.73  184.711  7112.56  188.583  155.377   2.0584  156.858   2.0817 -1.480911 2.927494 
1 1 1    3   23  -25 o  131.036   2.4061  4971.61  170.178  4978.54  299.852  4968.32  206.692  131.033   3.9622  131.040   2.7311 -0.6652832E-02 4.812295 
1 1 1    3   24  -25 o  160.358   1.7062  7438.95  153.978  7433.86  247.225  7442.18  196.811  160.283   2.6707  160.433   2.1241 -0.1497040 3.412367 
1 1 1    3   25  -25 o   62.565   3.3005  1145.55  118.010  1337.42  167.113  954.685  166.672   67.860   4.2639   57.269   5.0391 10.59093 6.601045 
1 1 1    3   26  -25 o   72.050   3.3460  1573.04  125.545  1667.14  150.927  1361.70  226.194   75.823   3.4465   68.276   5.7363 7.547615 6.692014 
1 1 1    3   27  -25 o  105.941   2.3161  3228.71  137.149  3357.62  226.250  3153.83  172.444  107.546   3.6426  104.336   2.8617 3.210121 4.632247 
1 1 1    3   28  -25 o  140.386   2.4378  5830.06  179.644  5458.97  326.794  5990.77  215.053  136.959   4.1314  143.814   2.5892 -6.854309 4.875678 
1 1 1    3   29  -25 o   93.200   3.6564  2430.82  179.754  2279.13  211.532  2825.00  340.995   88.436   4.1415   97.964   6.0269 -9.527802 7.312729 
1 1 1    3   30  -25 o   56.130   5.0796  938.134  155.665  935.953  191.391  942.396  267.558   56.323   5.8837   55.937   8.2820 0.3863487 10.15917 
1 1 1    3   31  -25 o  130.852   2.3764  4965.15  179.594  4965.15  179.594   0.0000   0.0000  130.852   2.3764  ?   ?       ?      ? 
1 1 1    3   32  -25 o   20.293   6.6408 -181.9445  153.920 -246.6395  176.914   19.538  312.209   14.698   7.0731   25.889   11.241 -11.19147 13.28151 
1 1 1    3   33  -25 o   66.092   4.6274  1263.01  159.896  1191.01  187.434  1455.47  306.445   63.340   5.1237   68.845   7.7072 -5.504936 9.254887 
1 1 1    3   34  -25 o   57.478   5.0018  984.702  166.038   0.0000   0.0000  984.702  166.038  ?   ?    57.478   5.0018      ?      ? 
1 1 1    3   35  -25 o   36.432   6.9970  436.475  128.844  469.776  298.231  428.833  142.865   36.162   12.120   36.703   6.9951 -0.5404358 13.99408 
1 1 1    3   36  -25 o   72.006   3.0581  1531.11  126.255  1667.56  193.087  1429.20  166.870   74.701   4.4755   69.311   4.1686 5.390076 6.116166 
1 1 1    3   37  -25 o   21.373   6.0681  100.066  115.154  138.243  164.197   63.115  161.541   22.704   8.7895   20.042   8.3685 2.662207 12.13623 
1 1 1    3   38  -25 o   16.751   5.4482 -77.2676  119.269 -69.7281  184.972 -82.6329  156.039   17.641   8.0744   15.861   7.3168 1.779572 10.89637 
1 1 1    3   39  -25 o   53.901   4.6034  934.221  140.347  809.069  209.753  1035.67  188.851   49.997   7.2641   57.806   5.6566 -7.809841 9.206780 
1 1 1    3   40  -25 o   52.003   5.5701  842.857  167.294   0.0000   0.0000  842.857  167.294  ?   ?    52.003   5.5701      ?      ? 
1 1 1    3   41  -25 o   43.110   6.5124  697.580  159.144  812.102  212.059  549.913  240.797   49.198   7.4631   37.022   10.675 12.17653 13.02487 
1 1 1    3    0  -26 o   64.538   5.3208  1253.32  189.632  1233.04  252.071  1279.77  287.835   64.093   7.0244   64.983   7.9937 -0.000000 0.000000 
1 1 1    3    1  -26 o  176.477   1.4747  9003.85  142.960  8988.04  243.049  9012.21  176.773  176.339   2.3865  176.615   1.7330 -0.2768250 2.949361 
1 1 1    3    2  -26 o   13.594   4.5870 -172.4522   95.535 -162.0200  119.276 -191.1219  159.564   12.410   5.9284   14.777   7.0011 -2.366975 9.174001 
1 1 1    3    3  -26 o  297.720   2.1107 25566.97  304.187 25510.71  345.884 25759.02  639.052  297.121   2.0156  298.318   3.7091 -1.196960 4.221418 
1 1 1    3    4  -26 o   78.303   3.2041  1867.89  112.721  1926.59  126.007  1632.73  252.201   81.630   2.6728   74.975   5.8243 6.654953 6.408270 
1 1 1    3    5  -26 o   57.240   4.3985  1057.55  109.350  1123.13  122.255  795.192  244.524   62.302   3.3977   52.177   8.1144 10.12457 8.797000 
1 1 1    3    6  -26 o   18.899   5.9877 -58.3903  115.685 -56.4845  236.640 -58.9888  132.612   22.023   9.6697   15.776   7.0645 6.246164 11.97535 
1 1 1    3    7  -26 o  186.263   1.4402 10069.26  141.764  9918.70  258.546 10133.99  169.518  185.234   2.4167  187.291   1.5672 -2.056381 2.880394 
1 1 1    3    8  -26 o   57.503   2.9265  965.851   93.306  987.577  117.350  928.507  153.850   58.415   3.4783   56.590   4.7073 1.825867 5.853004 
1 1 1    3    9  -26 o  243.774   1.3226 17157.68  185.599 17340.98  274.469 17003.24  251.930  244.967   1.9400  242.581   1.7982 2.385361 2.645204 
1 1 1    3   10  -26 o  130.270   2.6223  4906.94  197.292   0.0000   0.0000  4906.94  197.292  ?   ?   130.270   2.6223      ?      ? 
1 1 1    3   11  -26 o  152.451   1.8215  6725.77  159.273  6670.06  239.207  6770.13  213.476  151.872   2.7272  153.031   2.4154 -1.158569 3.643003 
1 1 1    3   12  -26 o  171.748   1.3342  8505.79  130.753  8409.09  171.638  8639.52  201.835  170.596   1.7420  172.900   2.0212 -2.303925 2.668352 
1 1 1    3   13  -26 o  143.449   1.7854  5951.85  147.683  5910.21  214.617  5989.30  203.533  142.967   2.5992  143.931   2.4485 -0.9641113 3.570841 
1 1 1    3   14  -26 o  141.099   1.7772  5728.47  136.344  5838.65  237.912  5674.58  166.375  142.075   2.8994  140.122   2.0559 1.952621 3.554333 
1 1 1    3   15  -26 o   97.820   2.3457  2762.25  120.740  2752.27  143.577  2786.35  223.126   97.563   2.5481   98.076   3.9391 -0.5134277 4.691434 
1 1 1    3   16  -26 o   83.304   3.4758  2014.00  141.202  2013.64  292.766  2014.11  161.189   83.188   6.0936   83.419   3.3457 -0.2307587 6.951643 
1 1 1    3   17  -26 o  169.022   1.7430  8264.72  169.791  8190.75  247.640  8330.35  233.247  168.301   2.5477  169.744   2.3792 -1.443100 3.485911 
1 1 1    3   18  -26 o  305.232   2.1686 26899.54  361.032 26777.79  442.479 27142.01  624.460  304.303   2.5177  306.159   3.5316 -1.856079 4.337157 
1 1 1    3   19  -26 o  216.816   1.9667 13671.96  215.561 13750.74  250.673 13448.35  422.321  218.116   1.9899  215.516   3.3929 2.599442 3.933433 
1 1 1    3   20  -26 o   62.475   3.4069  1142.41  116.623  1104.80  197.594  1162.52  144.471   61.621   5.5521   63.328   3.9500 -1.706490 6.813858 
1 1 1    3   21  -26 o  218.075   1.9570 13787.63  215.191 13816.22  249.677 13705.03  424.340  218.622   1.9774  217.528   3.3776 1.094788 3.913911 
1 1 1    3   22  -26 o  220.811   1.6450 14097.03  209.707 14252.90  301.397 13950.75  291.970  221.991   2.3508  219.632   2.3017 2.358459 3.290039 
1 1 1    3   23  -26 o  157.399   2.1249  7164.15  193.160   0.0000   0.0000  7164.15  193.160  ?   ?   157.399   2.1249      ?      ? 
1 1 1    3   24  -26 o   11.789   5.8578 -376.7107  154.415 -376.7107  154.415   0.0000   0.0000   11.789   5.8578  ?   ?       ?      ? 
1 1 1    3   25  -26 o   74.511   3.0266  1692.72  119.776  1842.75  147.354  1400.55  205.632   79.728   3.2001   69.294   5.1382 10.43369 6.053258 
1 1 1    3   26  -26 o   68.388   3.8392  1342.09  150.057  1192.65  195.755  1555.02  233.668   63.878   5.3061   72.898   5.5501 -9.020168 7.678411 
1 1 1    3   27  -26 o   37.910   6.8809  371.860  141.351  259.665  164.895  682.763  274.494   29.285   8.9347   46.535   10.467 -17.25010 13.76171 
1 1 1    3   28  -26 o  159.962   1.8002  7426.49  141.610  7397.97  289.897  7435.42  162.290  159.603   3.1450  160.321   1.7527 -0.7181549 3.600419 
1 1 1    3   29  -26 o   54.618   3.9237  888.610  119.230  842.927  193.951  916.361  151.169   53.316   6.2986   55.919   4.6808 -2.602425 7.847449 
1 1 1    3   30  -26 o   78.578   2.4009  1813.99  105.888  1865.06  135.799  1734.78  169.124   80.090   2.9358   77.065   3.7998 3.025612 4.801846 
1 1 1    3   31  -26 o   97.005   3.8186  2776.73  213.290  3005.28  316.978  2587.62  288.329  100.605   5.4553   93.404   5.3449 7.200844 7.637298 
1 1 1    3   32  -26 o   74.936   3.7627  1690.49  154.564  1616.70  260.025  1730.81  192.207   73.270   6.1448   76.603   4.3445 -3.332924 7.525476 
1 1 1    3   33  -26 o  118.681   3.0407  4222.36  191.162  4309.52  230.225  4028.86  343.029  121.280   3.2868  116.082   5.1166 5.198006 6.081324 
1 1 1    3   34  -26 o   99.648   3.3104  2991.46  173.443  2901.25  316.174  3030.29  207.442   97.853   5.5946  101.443   3.5407 -3.589760 6.620838 
1 1 1    3   35  -26 o  140.657   2.7103  5803.20  202.792  5710.06  242.708  6018.61  369.096  139.493   3.0126  141.820   4.5063 -2.327179 5.420548 
1 1 1    3   36  -26 o   16.518   5.5152 -186.9731  140.075 -300.2529  196.863 -70.8092  199.353   14.652   7.1463   18.384   8.4024 -3.731516 11.03040 
1 1 1    3   37  -26 f   53.650   4.1440  895.809  127.112  758.110  179.503  1034.31  180.025   49.198   6.3174   58.101   5.3649 -8.902870 8.288046 
1 1 1    3   38  -26 o   55.344   4.2869  935.175  135.152  808.470  174.550  1124.85  213.565   50.871   5.9411   59.818   6.1818 -8.946934 8.573890 
1 1 1    3   39  -26 o   29.964   7.2261  281.472  118.770  453.513  304.823  250.679  128.962   32.990   12.150   26.937   7.8250 6.052818 14.45217 
1 1 1    3   40  -26 o   42.638   6.7748  853.582  156.421  359.596  357.589  970.470  173.945   29.647   12.421   55.629   5.4141 -25.98222 13.54962 
1 1 1    3    0  -27 o   87.013   4.1212  2253.90  201.108  2434.43  267.877  2020.73  304.438   91.278   5.1182   82.748   6.4609 -0.000000 0.000000 
1 1 1    3    1  -27 o   74.441   2.6074  1652.97  102.227  1482.84  182.772  1730.42  123.320   71.528   4.4244   77.355   2.7603 -5.827255 5.214816 
1 1 1    3    2  -27 o  170.394   1.6993  8391.52  167.181  8468.18  239.707  8318.91  233.283  171.150   2.4250  169.638   2.3811 1.511780 3.398586 
1 1 1    3    3  -27 f   64.182   3.1987  1192.23  114.658  1186.61  144.615  1201.74  188.145   64.010   3.9118   64.354   5.0621 -0.3443756 6.397414 
1 1 1    3    4  -27 o   62.622   3.2055  1120.44  109.625  1186.87  191.270  1087.94  133.777   63.947   5.1790   61.297   3.7789 2.650280 6.411041 
1 1 1    3    5  -27 f   59.641   3.5823  1029.84  123.153  1068.76  181.050  996.327  168.008   60.682   5.1660   58.601   4.9641 2.081013 7.164531 
1 1 1    3    6  -27 o  236.152   1.8415 16068.70  219.340 16241.36  434.194 16009.55  254.153  236.926   3.1731  235.378   1.8696 1.548294 3.682928 
1 1 1    3    7  -27 f  145.049   1.7622  6103.57  146.866  5850.29  216.358  6320.00  200.003  142.239   2.6337  147.860   2.3421 -5.620651 3.524456 
1 1 1    3    8  -27 o  192.187   1.8127 10657.69  191.281 10609.05  236.079 10750.63  326.364  191.588   2.1336  192.786   2.9312 -1.198196 3.625449 
1 1 1    3    9  -27 o   11.022   5.5807 -622.4249  177.086   0.0000   0.0000 -622.4249  177.086  ?   ?    11.022   5.5807      ?      ? 
1 1 1    3   10  -27 o  293.258   2.0962 24897.22  295.938 24841.71  624.993 24913.27  335.991  292.906   3.6945  293.609   1.9814 -0.7028809 4.192332 
1 1 1    3   11  -27 o   68.444   4.6434  1308.54  170.523  1515.41  313.595  1221.69  203.189   72.035   7.5377   64.853   5.4248 7.181374 9.286880 
1 1 1    3   12  -27 o  187.965   1.9804 10362.81  181.493  9949.54  372.806 10491.19  207.778  185.393   3.4818  190.536   1.8881 -5.143890 3.960825 
1 1 1    3   13  -27 o  132.187   2.6323  5175.40  176.749  5309.86  207.207  4816.21  338.668  135.503   2.6477  128.870   4.5503 6.633652 5.264535 
1 1 1    3   14  -27 o   73.779   3.3295  1575.25  137.944  1596.33  223.505  1562.28  175.319   74.137   5.2199   73.421   4.1345 0.7167282 6.658970 
1 1 1    3   15  -27 o  205.858   2.1318 12316.09  242.584 12452.72  302.975 12072.04  404.914  207.516   2.5280  204.200   3.4334 3.316299 4.263643 
1 1 1    3   16  -27 o  218.191   2.4082 13784.88  303.373 13827.69  424.109 13740.03  434.135  218.546   3.3601  217.837   3.4507 0.7089996 4.816381 
1 1 1    3   17  -27 o  129.590   2.7221  4984.03  166.666  5074.96  188.738  4662.02  355.160  132.472   2.4669  126.707   4.8533 5.765686 5.444283 
1 1 1    3   18  -27 o  160.916   1.6414  7505.64  149.043  7573.82  191.823  7401.78  236.754  161.864   2.0519  159.968   2.5626 1.896042 3.282884 
1 1 1    3   19  -27 o   13.535   4.7129 -392.8216  130.831 -324.4135  176.304 -476.6609  195.179   13.819   6.7450   13.250   6.5842 0.5686255 9.425871 
1 1 1    3   20  -27 o  153.235   1.9843  6791.54  175.524  6661.21  243.678  6932.07  253.043  151.712   2.7811  154.759   2.8311 -3.047577 3.968557 
1 1 1    3   21  -27 f   80.338   3.1874  1851.19  140.333  1800.49  171.967  1952.26  242.796   78.787   3.7792   81.889   5.1337 -3.101089 6.374763 
1 1 1    3   22  -27 o   55.943   4.3061  890.830  133.319  834.889  164.130  999.321  228.570   53.514   5.3105   58.373   6.7799 -4.858810 8.612138 
1 1 1    3   23  -27 o   56.154   4.0634  916.724  129.775  951.076  203.531  893.190  168.461   56.981   6.1847   55.327   5.2721 1.653839 8.126805 
1 1 1    3   24  -27 o   37.799   6.6630  504.215  139.005  214.529  296.350  585.927  157.393   30.903   11.849   44.696   6.0972 -13.79327 13.32602 
1 1 1    3   25  -27 f   82.598   3.5728  1982.17  170.437  1982.17  170.437   0.0000   0.0000   82.598   3.5728  ?   ?       ?      ? 
1 1 1    3   26  -27 o  131.593   2.6763  5002.57  183.809  4953.09  217.089  5127.87  345.461  130.669   2.8766  132.516   4.5138 -1.846771 5.352522 
1 1 1    3   27  -27 o   51.484   3.9171  762.412  114.907  617.985  150.939  961.495  177.212   45.788   5.7078   57.180   5.3661 -11.39267 7.834144 
1 1 1    3   28  -27 o   97.572   3.1848  2832.51  164.961  2680.86  294.713  2901.70  199.066   95.343   5.3521   99.801   3.4536 -4.457741 6.369679 
1 1 1    3   29  -27 o   53.842   4.6005  844.260  134.628  939.342  239.050  800.095  162.922   55.710   7.4297   51.974   5.4276 3.735558 9.201025 
1 1 1    3   30  -27 o  100.067   2.3619  2926.97  135.314  2908.13  204.929  2941.54  180.177   99.705   3.5588  100.430   3.1064 -0.7251587 4.723825 
1 1 1    3   31  -27 o   84.006   3.2841  2087.73  159.156  2171.74  231.886  2012.92  218.842   85.578   4.6917   82.433   4.5967 3.145264 6.568189 
1 1 1    3   32  -27 o   80.140   3.4770  1950.33  131.219  1975.38  148.502  1861.09  280.260   82.133   3.1306   78.148   6.2095 3.984764 6.954071 
1 1 1    3   33  -27 o  100.061   2.0283  2931.53  117.015  2951.00  161.188  2909.84  170.145  100.453   2.7783   99.668   2.9558 0.7853546 4.056596 
1 1 1    3   34  -27 o   95.852   3.3356  2777.57  179.323  2690.61  287.224  2833.12  229.560   94.136   5.2830   97.569   4.0738 -3.433266 6.671281 
1 1 1    3   35  -27 o   73.956   5.1560  1810.65  180.003  1611.69  369.253  1872.66  206.157   68.990   9.2673   78.923   4.5228 -9.933090 10.31209 
1 1 1    3   36  -27 o   63.533   4.6197  1179.55  143.876  1463.88  307.291  1099.72  162.826   66.764   7.9694   60.303   4.6752 6.460682 9.239472 
1 1 1    3   37  -27 o   25.442   6.3852  218.548  116.191  176.155  203.201  239.142  141.628   24.488   9.6893   26.395   8.3187 -1.906857 12.77043 
1 1 1    3   38  -27 o   67.899   4.4885  1514.62  134.823  1387.12  302.920  1546.12  150.557   63.861   8.2131   71.937   3.6238 -8.076344 8.977047 
1 1 1    3   39  -27 o   55.718   6.9148  1177.72  184.460  1214.92  215.502  1075.81  356.752   61.571   6.0603   49.864   12.431 11.70618 13.82966 
1 1 1    3    0  -28 o   34.146   9.2649  471.904  206.795  710.700  282.257  195.196  303.838   44.927   12.571   23.365   13.614 -0.000000 0.000000 
1 1 1    3    1  -28 o  142.941   1.5589  5874.22  127.436  6125.00  196.075  5690.82  167.681  145.560   2.3323  140.322   2.0691 5.237885 3.117829 
1 1 1    3    2  -28 o   18.469   5.7756 -59.1694  122.936 -141.2202  189.407   0.5581  161.600   17.604   8.0989   19.335   8.2364 -1.731939 11.55121 
1 1 1    3    3  -28 o  144.755   1.9530  6060.44  163.259  5964.28  230.867  6156.62  230.898  143.605   2.7836  145.905   2.7401 -2.300507 3.905961 
1 1 1    3    4  -28 o   63.125   3.4975  1156.38  127.490  1164.54  179.129  1148.00  181.489   63.354   4.8956   62.896   4.9962 0.4577827 6.994976 
1 1 1    3    5  -28 o  216.671   1.4992 13581.68  183.982 13503.40  289.689 13634.61  238.186  216.128   2.3208  217.214   1.8986 -1.085983 2.998486 
1 1 1    3    6  -28 o   57.773   5.0238  889.245  128.321  1110.09  319.297  846.706  140.135   61.506   8.9886   54.040   4.4900 7.466320 10.04762 
1 1 1    3    7  -28 o  164.630   1.8544  7904.32  144.726  7955.35  163.567  7720.30  310.611  165.930   1.7068  163.329   3.2928 2.600235 3.708879 
1 1 1    3    8  -28 o  130.131   2.0850  4894.98  156.135  4942.82  231.343  4854.96  211.594  130.705   3.0646  129.557   2.8279 1.148468 4.169980 
1 1 1    3    9  -28 o  166.593   2.0447  8028.66  192.730  8030.31  248.772  8026.17  304.810  166.644   2.5848  166.543   3.1690 0.1008911 4.089450 
1 1 1    3   10  -28 o   93.223   3.0409  2526.27  125.244  2530.13  138.222  2508.55  296.054   93.539   2.5586   92.906   5.5175 0.6331253 6.081847 
1 1 1    3   11  -28 o  130.275   2.5865  4944.57  164.751  4970.92  188.513  4859.39  338.986  131.115   2.4895  129.436   4.5346 1.678818 5.173036 
1 1 1    3   12  -28 o  127.439   3.0028  4716.15  220.620  4537.65  317.631  4882.53  306.664  125.087   4.3967  129.790   4.0911 -4.703621 6.005630 
1 1 1    3   13  -28 o  210.204   2.0429 12765.90  229.627 12831.49  412.137 12736.37  276.524  210.519   3.3897  209.888   2.2812 0.6313324 4.085836 
1 1 1    3   14  -28 o  180.035   2.1142  9369.77  219.829   0.0000   0.0000  9369.77  219.829  ?   ?   180.035   2.1142      ?      ? 
1 1 1    3   15  -28 o  220.936   2.0134 13933.88  214.483 13781.66  242.978 14471.12  456.459  218.360   1.9267  223.512   3.5360 -5.152069 4.026852 
1 1 1    3   16  -28 o   30.732   6.6757  240.249  151.150  476.783  211.469  -6.8124  216.123   39.412   9.4188   22.053   9.4627 17.35829 13.35131 
1 1 1    3   17  -28 o  110.629   2.7652  3606.34  153.376  3666.71  178.137  3433.34  301.560  112.567   2.7401  108.692   4.8039 3.874718 5.530370 
1 1 1    3   18  -28 o  193.128   1.9575 10672.52  197.242 11081.30  372.369 10513.09  232.545  195.578   3.2966  190.678   2.1116 4.899902 3.914932 
1 1 1    3   19  -28 o  232.916   2.1644 15703.70  266.864 15690.28  318.970 15735.01  487.203  232.889   2.3715  232.943   3.6214 -0.5409241E-01 4.328773 
1 1 1    3   20  -28 o   14.954   5.2817 -540.2289  165.325 -420.5587  192.916 -871.1462  320.800   13.666   6.7463   16.243   8.1284 -2.577315 10.56332 
1 1 1    3   21  -28 o  160.047   2.1468  7424.80  167.904  7426.53  191.834  7419.15  347.151  160.236   2.0729  159.857   3.7601 0.3786316 4.293644 
1 1 1    3   22  -28 o  181.841   2.3330  9600.12  220.540  9574.85  414.612  9610.09  260.440  181.492   3.9555  182.190   2.4751 -0.6982727 4.666061 
1 1 1    3   23  -28 o   97.384   2.4734  2753.85  138.380  2747.65  186.309  2761.48  206.670   97.291   3.3157   97.478   3.6710 -0.1873932 4.946741 
1 1 1    3   24  -28 f   74.657   3.4663  1697.29  136.112  1809.40  165.130  1459.69  240.398   78.878   3.6248   70.436   5.9095 8.441757 6.932658 
1 1 1    3   25  -28 o  110.532   3.0400  3446.85  149.639  3379.76  164.745  3763.15  357.721  107.952   2.6424  113.112   5.4758 -5.160286 6.080048 
1 1 1    3   26  -28 o  102.366   2.2672  3033.58  131.574  3123.40  208.217  2973.87  169.762  103.554   3.4815  101.177   2.9052 2.377533 4.534404 
1 1 1    3   27  -28 o  102.681   1.9281  3071.69  114.027  2879.98  163.728  3252.26  158.898   99.533   2.8482  105.829   2.5997 -6.296509 3.856263 
1 1 1    3   28  -28 o   82.954   3.7974  2022.02  155.080  2081.95  318.130  2003.34  177.612   83.167   6.6232   82.741   3.7168 0.4257126 7.594815 
1 1 1    3   29  -28 o   94.151   2.9011  2540.53  142.839  2771.66  271.154  2451.76  168.046   96.683   4.8560   91.619   3.1758 5.063889 5.802300 
1 1 1    3   30  -28 o   85.807   2.6365  2160.53  125.857  2184.28  208.375  2146.90  157.915   85.969   4.1968   85.645   3.1925 0.3242950 5.273097 
1 1 1    3   31  -28 o   57.481   4.1511  1021.97  131.405  938.820  215.754  1071.00  165.679   55.107   6.7790   59.854   4.7928 -4.746403 8.302151 
1 1 1    3   32  -28 o   32.130   6.1849  377.736  144.690   4.7007  243.726  580.756  179.803   21.979   9.7249   42.281   7.6446 -20.30178 12.36990 
1 1 1    3   33  -28 o   63.420   5.5952  1248.41  163.553  1387.30  367.242  1214.05  182.669   63.492   10.015   63.348   4.9928 0.1443481 11.19044 
1 1 1    3   34  -28 o   30.712   6.3418  317.694  117.721  270.387  151.065  390.844  187.847   28.156   8.5433   33.269   9.3747 -5.112980 12.68353 
1 1 1    3   35  -28 o   57.091   3.8988  940.698  115.380  1157.77  226.873  864.969  134.003   60.554   6.4872   53.627   4.3266 6.927078 7.797617 
1 1 1    3   36  -28 o   41.153   7.0175  648.478  151.316  549.422  315.213  678.140  172.490   36.139   12.455   46.167   6.4691 -10.02856 14.03509 
1 1 1    3   37  -28 o   35.328   6.4280  418.846  137.447  714.582  222.612  236.648  174.730   44.721   8.9315   25.935   9.2470 18.78627 12.85610 
1 1 1    3   38  -28 o   16.976   5.6943 -134.4912  142.270 -90.0405  237.820 -159.2648  177.543   18.795   8.7923   15.158   7.2387 3.637208 11.38870 
1 1 1    3    0  -29 o  139.614   2.5563  5666.19  204.375  5819.88  275.536  5478.23  304.723  141.760   3.3697  137.467   3.8449 -0.000000 0.000000 
1 1 1    3    1  -29 o   42.236   4.6987  520.858  114.282  505.861  166.687  534.161  156.988   41.644   6.9305   42.828   6.3468 -1.183571 9.397488 
1 1 1    3    2  -29 f   57.952   3.5542  959.784  116.932  1055.27  186.493  897.927  150.102   60.269   5.3578   55.635   4.6715 4.634289 7.108343 
1 1 1    3    3  -29 f  102.038   2.1746  3009.15  127.236  3041.85  192.235  2983.66  169.736  102.520   3.2467  101.558   2.8939 0.9621201 4.349184 
1 1 1    3    4  -29 o  137.055   1.7399  5427.97  131.570  5442.78  221.815  5419.93  163.423  137.173   2.7999  136.937   2.0664 0.2361145 3.479806 
1 1 1    3    5  -29 o   53.261   5.2308  851.142  153.405  655.331  217.379  1045.41  216.518   46.605   8.3843   59.916   6.2570 -13.31039 10.46167 
1 1 1    3    6  -29 o   34.926   6.1444  374.434  123.689  331.129  182.104  411.522  168.528   33.069   9.1993   36.782   8.1478 -3.712917 12.28881 
1 1 1    3    7  -29 o   61.705   3.0439  1093.75  107.850  1012.48  143.412  1199.54  163.624   59.097   4.2018   64.313   4.4052 -5.215607 6.087736 
1 1 1    3    8  -29 o   68.288   5.2469  1355.01  206.935  1355.01  206.935   0.0000   0.0000   68.288   5.2469  ?   ?       ?      ? 
1 1 1    3    9  -29 o  138.131   2.4273  5639.91  167.161  5758.33  193.804  5295.85  330.345  141.120   2.3779  135.143   4.2324 5.976822 4.854668 
1 1 1    3   10  -29 o   45.315   5.7336  636.829  141.965  483.409  214.759  755.903  189.199   39.716   9.4919   50.913   6.4343 -11.19665 11.46720 
1 1 1    3   11  -29 o   20.023   6.2616 -66.1960  144.142 -134.4356  212.712  -8.2547  196.005   19.062   8.6997   20.984   9.0080 -1.922031 12.52313 
1 1 1    3   12  -29 o   76.210   3.8817  1683.59  170.850   0.0000   0.0000  1683.59  170.850  ?   ?    76.210   3.8817      ?      ? 
1 1 1    3   13  -29 o  197.716   2.1592 11276.78  223.874 11221.96  265.503 11411.64  416.441  196.989   2.3337  198.443   3.6336 -1.453796 4.318428 
1 1 1    3   14  -29 o  248.067   1.7373 17785.17  248.896 17785.17  248.896   0.0000   0.0000  248.067   1.7373  ?   ?       ?      ? 
1 1 1    3   15  -29 f   85.065   4.0217  2081.23  183.712  2034.13  221.037  2186.45  330.376   83.671   4.5741   86.459   6.6163 -2.787323 8.043468 
1 1 1    3   16  -29 o   92.853   2.3543  2498.82  126.157  2511.35  175.306  2485.35  181.690   93.101   3.2603   92.604   3.3971 0.4963989 4.708519 
1 1 1    3   17  -29 o   72.515   3.5790  1533.49  146.084  1522.78  233.952  1540.34  187.025   72.237   5.6077   72.793   4.4486 -0.5564499 7.157964 
1 1 1    3   18  -29 o   55.307   6.4048  974.133  151.987  846.458  345.579  1004.75  169.233   51.893   11.798   58.721   4.9901 -6.827747 12.80957 
1 1 1    3   19  -29 o   56.430   3.5853  925.024  116.593  868.293  158.691  991.568  171.870   54.561   5.0360   58.298   5.1046 -3.736679 7.170636 
1 1 1    3   20  -29 o   72.115   3.3326  1539.11  126.762  1574.25  152.116  1459.27  229.314   73.629   3.5772   70.601   5.6239 3.027901 6.665142 
1 1 1    3   21  -29 o  182.110   2.2335  9405.18  182.785  9279.30  201.984  9974.47  429.552  179.093   1.9528  185.127   4.0175 -6.034241 4.467000 
1 1 1    3   22  -29 o   62.137   3.4605  1122.99  122.663  1089.16  160.309  1170.76  190.519   61.070   4.5451   63.204   5.2193 -2.133808 6.920925 
1 1 1    3   23  -29 o   98.006   1.8783  2792.41  105.352  2836.94  140.500  2735.22  159.233   98.932   2.4590   97.081   2.8400 1.850212 3.756591 
1 1 1    3   24  -29 o  126.734   2.8460  4576.68  163.311  4508.23  180.872  4878.75  379.947  124.669   2.5120  128.798   5.1077 -4.129227 5.692022 
1 1 1    3   25  -29 o   61.533   3.1326  1104.92  111.017  1007.34  151.164  1219.17  163.572   58.591   4.4672   64.475   4.3927 -5.883656 6.265107 
1 1 1    3   26  -29 o   55.403   3.6242  914.653  114.914  1037.74  160.985  786.772  164.086   59.338   4.6975   51.469   5.5201 7.868969 7.248299 
1 1 1    3   27  -29 o   90.171   2.4336  2386.62  124.006  2420.84  160.358  2335.73  195.584   91.101   3.0478   89.240   3.7948 1.860847 4.867149 
1 1 1    3   28  -29 o   40.869   6.6694  560.724  153.862  609.962  205.121  497.379  232.657   43.437   8.4807   38.301   10.296 5.136200 13.33888 
1 1 1    3   29  -29 o  101.779   3.4797  3077.21  201.682  2981.31  262.451  3215.50  315.177  100.114   4.5391  103.444   5.2755 -3.329590 6.959465 
1 1 1    3   30  -29 o   27.999   5.8636  261.927  104.610  185.417  157.277  322.631  140.092   24.674   8.7756   31.324   7.7791 -6.650272 11.72713 
1 1 1    3   31  -29 o   22.483   6.5945   93.336  143.036  174.298  164.634 -155.9364  288.878   24.192   8.9264   20.774   9.7091 3.418331 13.18892 
1 1 1    3   32  -29 o   20.473   6.0700   52.979  124.746 -32.9190  180.552  131.436  172.554   18.293   8.2135   22.653   8.9398 -4.360580 12.14006 
1 1 1    3   33  -29 o   57.992   4.0294  1038.14  134.886  1033.91  193.539  1042.14  188.093   57.812   5.7965   58.172   5.5986 -0.3597260 8.058736 
1 1 1    3   34  -29 o   49.278   3.9860  752.700  113.269  800.807  160.715  705.220  159.663   50.945   5.4622   47.610   5.8066 3.335121 7.971972 
1 1 1    3   35  -29 o   30.638   6.2713  354.918  128.349  175.521  206.716  467.466  163.733   24.353   9.7291   36.924   7.9157 -12.57060 12.54252 
1 1 1    3   36  -29 o   53.630   5.0541  939.837  155.132  1126.11  231.181  787.251  209.235   58.719   6.8169   48.541   7.4635 10.17859 10.10816 
1 1 1    3    0  -30 o   77.704   3.9448  1801.57  170.862  1642.71  263.778  1916.40  224.271   74.486   6.2321   80.923   4.8382 -0.000000 0.000000 
1 1 1    3    1  -30 o  177.787   1.6782  9162.96  169.281  9013.72  264.336  9266.72  220.406  176.534   2.5927  179.040   2.1315 -2.506668 3.356364 
1 1 1    3    2  -30 o   33.333   6.5366  300.936  116.608  260.891  134.144  424.771  235.896   29.330   7.7883   37.336   10.500 -8.006865 13.07321 
1 1 1    3    3  -30 o  151.150   1.6111  6602.92  140.070  6635.23  207.883  6576.06  189.561  151.480   2.3762  150.820   2.1762 0.6603851 3.222142 
1 1 1    3    4  -30 o   97.406   3.0317  2681.48  135.082  2869.09  310.875  2637.81  149.981   99.323   5.4194   95.489   2.7195 3.833481 6.063500 
1 1 1    3    5  -30 o  116.066   2.1792  3921.87  142.482  3793.96  226.210  4005.99  183.443  114.457   3.4220  117.676   2.6992 -3.218872 4.358425 
1 1 1    3    6  -30 o   57.180   3.5080  956.248  114.940  887.103  169.619  1014.96  156.297   55.230   5.3176   59.130   4.5768 -3.900192 7.015976 
1 1 1    3    7  -30 o   97.009   2.1428  2756.80  116.533  2871.84  149.704  2579.89  185.640   99.638   2.6015   94.379   3.4057 5.258652 4.285638 
1 1 1    3    8  -30 o   82.641   3.5933  1929.00  150.049  1871.49  173.022  2103.44  301.350   80.357   3.7281   84.926   6.1439 -4.568741 7.186599 
1 1 1    3    9  -30 f   78.235   3.0540  1784.61  137.341  1904.35  189.760  1652.89  199.031   81.027   4.0550   75.443   4.5679 5.584000 6.108089 
1 1 1    3   10  -30 o   81.601   3.1720  1937.96  148.954  1990.98  203.913  1877.31  218.108   82.823   4.2629   80.380   4.6983 2.442963 6.344016 
1 1 1    3   11  -30 o   77.181   3.2890  1734.17  145.985  1694.89  215.256  1767.62  198.650   76.346   4.8818   78.016   4.4088 -1.670639 6.577966 
1 1 1    3   12  -30 f  134.164   2.2098  5207.37  171.128  5002.64  237.457  5428.61  246.837  131.423   3.1284  136.905   3.1218 -5.481873 4.419597 
1 1 1    3   13  -30 o  202.403   2.0448 11761.69  228.591 12202.65  387.608 11526.53  283.055  205.212   3.2704  199.595   2.4555 5.616531 4.089629 
1 1 1    3   14  -30 o   56.653   5.8186  919.563  185.691  827.131  233.647  1078.05  305.949   52.994   7.6339   60.311   8.7835 -7.316357 11.63730 
1 1 1    3   15  -30 f   27.237   6.7892  158.085  131.243  320.464  225.044   74.394  161.563   32.875   10.500   21.599   8.6101 11.27595 13.57840 
1 1 1    3   16  -30 o   68.787   3.3960  1358.30  128.872  1312.06  158.905  1447.16  220.274   67.186   4.0952   70.388   5.4185 -3.201912 6.791977 
1 1 1    3   17  -30 o   13.946   4.8109 -275.0408  117.594 -216.7861  141.233 -406.7017  212.324   13.001   6.2724   14.890   7.2963 -1.889767 9.621805 
1 1 1    3   18  -30 o  163.867   1.9118  7779.80  180.872  7751.24  252.287  7810.01  259.447  163.564   2.6707  164.170   2.7363 -0.6054230 3.823617 
1 1 1    3   19  -30 o  157.211   1.6658  7170.41  149.171  7077.96  230.083  7237.45  195.927  156.297   2.5489  158.125   2.1454 -1.828018 3.331593 
1 1 1    3   20  -30 o   50.587   7.1323  942.768  160.957  1040.59  179.995  552.338  359.594   59.564   5.2323   41.610   13.270 17.95464 14.26459 
1 1 1    3   21  -30 o   93.151   2.1640  2534.15  115.062  2617.09  153.006  2426.19  174.559   94.962   2.7898   91.341   3.3090 3.621445 4.328080 
1 1 1    3   22  -30 o   98.621   2.3994  2809.43  134.032  2945.26  213.500  2721.08  172.191  100.501   3.6782   96.740   3.0819 3.760910 4.798704 
1 1 1    3   23  -30 o   95.992   2.2579  2690.07  124.843  2848.89  174.149  2522.16  179.062   98.950   3.0473   93.034   3.3325 5.915710 4.515766 
1 1 1    3   24  -30 o  102.608   2.4884  3056.97  142.842  3001.98  180.103  3150.22  234.522  101.512   3.0720  103.705   3.9156 -2.193039 4.976860 
1 1 1    3   25  -30 o   54.199   4.5400  827.646  126.607  763.177  146.319  1019.74  252.568   50.732   4.9938   57.667   7.5835 -6.934574 9.080030 
1 1 1    3   26  -30 o   88.994   4.0989  2479.76  150.648  2234.63  373.137  2527.50  164.664   84.974   7.6032   93.015   3.0652 -8.040375 8.197802 
1 1 1    3   27  -30 o   57.949   5.5512  1130.65  164.174  1299.86  206.699  841.461  270.213   65.724   5.4454   50.175   9.6754 15.54911 11.10250 
1 1 1    3   28  -30 f   44.819   4.3720  618.110  112.593  574.975  163.331  657.170  155.425   43.164   6.5519   46.474   5.7906 -3.310314 8.744020 
1 1 1    3   29  -30 o   28.907   7.7499  243.535  177.811  384.895  279.725  147.686  230.336   32.835   11.701   24.979   10.166 7.855808 15.49984 
1 1 1    3   30  -30 o   96.998   3.0615  2750.46  163.805  3035.60  281.641  2604.70  201.365  100.265   4.8636   93.730   3.7198 6.535378 6.123060 
1 1 1    3   31  -30 o   31.188   6.5651  357.665  137.275  181.669  224.052  463.442  173.696   25.446   10.141   36.930   8.3408 -11.48441 13.13022 
1 1 1    3   32  -30 o   82.827   3.6825  2089.92  174.307  2032.77  229.313  2168.12  268.257   81.800   4.8539   83.854   5.5391 -2.054848 7.364935 
1 1 1    3   33  -30 o   76.642   3.4783  1800.63  153.322  1697.32  222.473  1894.08  211.596   74.308   5.1839   78.975   4.6391 -4.666634 6.956570 
1 1 1    3   34  -30 o   91.583   3.8939  2598.43  202.001  2710.67  320.416  2524.39  260.230   92.587   5.9921   90.579   4.9744 2.008301 7.787828 
1 1 1    3   35  -30 o   39.592   6.0219  563.403  136.992  426.156  193.621  700.974  193.850   33.425   9.5524   45.759   7.3350 -12.33441 12.04371 
1 1 1    3    0  -31 o   10.651   5.5378 -890.2031  227.713 -986.5319  313.885 -783.1777  330.854   9.9201   7.3211   11.382   8.3109 -0.000000 0.000000 
1 1 1    3    1  -31 o   59.920   4.2845  1049.89  147.429  914.228  206.882  1189.86  210.149   55.942   6.4032   63.897   5.6945 -7.955109 8.569040 
1 1 1    3    2  -31 o  154.760   2.4100  6927.76  215.406  6927.76  215.406   0.0000   0.0000  154.760   2.4100  ?   ?       ?      ? 
1 1 1    3    3  -31 o   67.110   2.8778  1295.93  110.744  1394.32  169.124  1222.08  146.526   69.309   4.2250   64.911   3.9085 4.397881 5.755624 
1 1 1    3    4  -31 o   80.409   2.5434  1879.30  115.534  1848.81  182.764  1899.60  149.105   79.832   3.9640   80.986   3.1878 -1.154388 5.086789 
1 1 1    3    5  -31 o   68.424   2.8518  1358.39  112.686  1387.73  160.176  1329.64  158.559   69.158   4.0103   67.691   4.0558 1.466637 5.703640 
1 1 1    3    6  -31 f   39.133   6.1734  512.839  135.351  631.519  167.067  286.152  230.895   46.492   6.2219   31.774   10.665 14.71799 12.34686 
1 1 1    3    7  -31 o   46.190   5.5378  623.104  132.568  600.016  158.086  677.814  243.346   45.326   6.0389   47.053   9.2844 -1.726685 11.07561 
1 1 1    3    8  -31 o  131.192   2.7295  4938.96  194.463  5154.91  341.958  4835.74  236.412  133.186   4.4456  129.198   3.1683 3.988327 5.459076 
1 1 1    3    9  -31 o   56.174   6.8434  1144.91  160.594  677.387  356.042  1264.32  179.939   46.424   12.845   65.924   4.7260 -19.50015 13.68683 
1 1 1    3   10  -31 o  140.460   2.3240  5815.83  170.682  5954.76  203.551  5486.80  313.256  143.450   2.4569  137.471   3.9455 5.978561 4.647942 
1 1 1    3   11  -31 o   36.145   8.2622  362.477  180.524  462.398  345.945  325.086  211.622   39.410   13.050   32.879   10.137 6.531109 16.52449 
1 1 1    3   12  -31 f  103.086   2.6746  3151.61  154.953  2745.21  239.259  3445.20  203.363   97.163   4.2637  109.009   3.2302 -11.84608 5.349109 
1 1 1    3   13  -31 o   58.773   4.8669  985.010  140.668  957.174  160.224  1078.62  293.819   57.299   4.8416   60.246   8.4444 -2.946438 9.733898 
1 1 1    3   14  -31 o   82.656   4.1245  1918.84  170.567  2172.16  350.253  1840.09  195.288   85.799   7.0683   79.512   4.2526 6.286903 8.248950 
1 1 1    3   15  -31 o   82.656   2.7002  1986.16  128.863  1975.57  179.851  1997.32  184.726   82.436   3.7776   82.876   3.8594 -0.4404221 5.400435 
1 1 1    3   16  -31 o   71.258   4.7459  1610.49  174.782  1799.45  213.346  1224.84  304.792   78.495   4.7061   64.022   8.2431 14.47299 9.491882 
1 1 1    3   17  -31 o   45.487   6.7288  612.664  176.771  612.664  176.771   0.0000   0.0000   45.487   6.7288  ?   ?       ?      ? 
1 1 1    3   18  -31 o  140.823   2.4996  5793.98  193.227  5846.66  239.340  5695.36  327.450  141.917   2.9201  139.729   4.0576 2.188522 4.999128 
1 1 1    3   19  -31 o   57.450   4.4992  972.548  148.092  927.366  195.628  1033.19  226.647   55.972   6.0517   58.928   6.6595 -2.955624 8.998436 
1 1 1    3   20  -31 o   47.363   4.1737  653.936  113.162  556.621  149.883  782.954  172.578   43.315   5.9915   51.412   5.8121 -8.097393 8.347365 
1 1 1    3   21  -31 f  101.903   2.3862  3029.71  140.348  3108.36  196.892  2948.47  200.111  103.270   3.3012  100.537   3.4464 2.732849 4.772341 
1 1 1    3   22  -31 f   21.571   6.8978 -86.5883  150.764   54.833  322.180 -126.2389  170.595   26.799   11.528   16.344   7.5782 10.45514 13.79559 
1 1 1    3   23  -31 o   53.888   5.3716  889.011  166.859  935.953  245.443  848.673  227.523   55.161   7.7043   52.615   7.4873 2.545338 10.74322 
1 1 1    3   24  -31 o   86.452   3.3945  2233.36  164.761  2278.93  211.162  2162.45  263.427   87.888   4.1601   85.017   5.3650 2.871674 6.788924 
1 1 1    3   25  -31 o   52.913   3.9683  842.192  121.050  884.131  177.846  805.992  165.230   54.105   5.6914   51.722   5.5313 2.383213 7.936509 
1 1 1    3   26  -31 o   70.671   3.2333  1490.76  130.016  1494.40  170.196  1485.67  201.478   70.974   4.1521   70.369   4.9575 0.6050797 6.466569 
1 1 1    3   27  -31 o   65.446   4.0010  1316.98  141.729  1271.04  244.357  1340.27  173.985   63.940   6.6171   66.951   4.4995 -3.011566 8.001983 
1 1 1    3   28  -31 o   61.970   4.0300  1181.10  143.469  1223.69  195.699  1131.63  210.949   63.399   5.3447   60.542   6.0331 2.857079 8.059995 
1 1 1    3   29  -31 o   90.971   2.8846  2504.67  141.512  2572.76  173.359  2368.69  244.987   93.415   3.2133   88.528   4.7916 4.886971 5.769246 
1 1 1    3   30  -31 o   97.112   3.0928  2940.93  153.553  2590.70  284.557  3084.81  182.387   91.913   5.3605  102.311   3.0867 -10.39760 6.185668 
1 1 1    3   31  -31 f   67.022   3.5426  1336.18  125.704  1467.33  233.009  1282.35  149.293   68.580   5.8829   65.464   3.9487 3.116562 7.085200 
1 1 1    3   32  -31 o  112.090   2.8984  3761.55  184.829  3662.30  240.245  3905.48  289.318  110.652   3.7593  113.528   4.4125 -2.875740 5.796807 
1 1 1    3   33  -31 o   32.197   6.8292  375.276  137.617  276.983  178.223  520.420  216.572   27.487   9.3688   36.907   9.9388 -9.419847 13.65849 
1 1 1    3   34  -31 o   51.246   7.0467  879.346  165.420  794.185  183.924  1239.84  378.415   49.307   6.4587   53.185   12.526 -3.877197 14.09331 
1 1 1    3    0  -32 o   16.160   7.2868 -26.7869  161.646 -201.7505  236.897  125.652  221.123   12.981   9.0132   19.338   11.452 -0.000000 0.000000 
1 1 1    3    1  -32 o   40.267   5.9323  516.420  132.765  616.357  171.828  368.371  209.138   45.860   6.4875   34.674   9.9339 11.18621 11.86464 
1 1 1    3    2  -32 o   88.509   3.8031  2278.26  167.837  2271.18  193.474  2299.80  337.391   88.459   3.7870   88.559   6.5965 -0.9958649E-01 7.606291 
1 1 1    3    3  -32 o  114.184   1.8547  3771.70  121.925  3741.77  165.668  3807.06  180.088  113.701   2.5228  114.668   2.7193 -0.9666138 3.709363 
1 1 1    3    4  -32 o   42.289   4.5080  520.245  109.652  463.269  148.437  588.682  162.684   39.751   6.4657   44.828   6.2836 -5.077381 9.016051 
1 1 1    3    5  -32 o   91.589   2.8885  2435.90  152.516  2642.48  218.807  2240.69  212.704   95.379   3.9721   87.799   4.1947 7.579659 5.776962 
1 1 1    3    6  -32 o   25.071   6.3697  160.365  118.744  105.836  182.988  200.030  156.066   23.655   9.2451   26.487   8.7646 -2.832478 12.73931 
1 1 1    3    7  -32 o   37.427   7.6909  439.803  160.150  351.902  342.704  464.362  181.147   35.982   12.937   38.871   8.3201 -2.889660 15.38176 
1 1 1    3    8  -32 o   18.515   6.2364 -320.0047  166.106 -147.9725  292.152 -402.1793  201.917   22.668   10.287   14.362   7.0530 8.306375 12.47283 
1 1 1    3    9  -32 o  147.266   2.5328  6225.69  203.637  6083.25  248.780  6514.90  354.495  144.867   2.9734  149.665   4.1012 -4.797379 5.065653 
1 1 1    3   10  -32 o   18.098   6.0813 -270.5583  168.570 -383.9413  279.472 -205.7170  211.344   18.631   8.9463   17.565   8.2397 1.065235 12.16262 
1 1 1    3   11  -32 o  179.561   2.4027  9350.28  236.872  9398.49  403.670  9324.96  292.529  179.762   3.8881  179.360   2.8240 0.4024658 4.805455 
1 1 1    3   12  -32 o   62.292   6.3475  1161.63  179.136  1213.95  393.610  1147.96  201.178   62.021   11.409   62.562   5.5678 -0.5406494 12.69510 
1 1 1    3   13  -32 o  124.752   3.6854  4556.19  261.359  4582.96  407.635  4537.50  340.573  124.904   5.6508  124.599   4.7327 0.3048477 7.370884 
1 1 1    3   14  -32 o   55.235   4.9685  906.377  157.496  906.370  236.183  906.383  211.347   55.147   7.4155   55.323   6.6146 -0.1762505 9.936911 
1 1 1    3   15  -32 o  120.632   2.2129  4230.31  149.303  4236.72  189.026  4219.67  243.443  120.847   2.7083  120.417   3.5004 0.4293900 4.425847 
1 1 1    3   16  -32 f   75.406   4.3418  1509.22  139.986  1431.25  151.550  1962.44  365.371   70.064   3.7452   80.749   7.8345 -10.68511 8.683692 
1 1 1    3   17  -32 o   82.785   3.1196  1966.46  147.479  1731.25  191.901  2305.79  230.495   76.889   4.3215   88.682   4.5003 -11.79384 6.239187 
1 1 1    3   18  -32 o   72.473   3.4127  1507.61  140.112  1361.53  178.387  1742.86  226.372   68.085   4.5366   76.861   5.0995 -8.776497 6.825363 
1 1 1    3   19  -32 o  173.437   1.8651  8672.01  178.290  8511.37  220.339  8976.66  303.428  171.288   2.2273  175.586   2.9921 -4.297241 3.730104 
1 1 1    3   20  -32 o   63.996   3.4409  1219.73  126.093  1054.46  180.008  1378.95  176.682   59.592   5.2302   68.400   4.4725 -8.808033 6.881702 
1 1 1    3   21  -32 f   23.064   6.9107   23.551  151.143  168.547  266.621 -45.1096  183.471   27.422   11.016   18.705   8.3474 8.716942 13.82138 
1 1 1    3   22  -32 o   28.793   7.4541  243.178  147.291  238.070  301.355  244.782  168.831   29.817   11.799   27.768   9.1125 2.048347 14.90826 
1 1 1    3   23  -32 o   51.179   5.0130  851.357  137.105  642.709  207.931  1011.85  182.367   44.401   8.4165   57.957   5.4482 -13.55549 10.02598 
1 1 1    3   24  -32 o   23.091   6.3716  132.577  122.738  118.263  169.941  148.185  177.457   22.446   8.8674   23.735   9.1518 -1.288956 12.74314 
1 1 1    3   25  -32 o   90.095   2.8768  2419.06  149.221  2277.81  215.127  2550.04  207.159   87.430   4.2604   92.760   3.8669 -5.330170 5.753595 
1 1 1    3   26  -32 o   59.253   5.8107  1229.11  164.647  1344.77  196.389  955.518  302.052   66.614   5.1046   51.892   10.440 14.72281 11.62131 
1 1 1    3   27  -32 o   20.597   6.5821   1.8359  146.720   53.900  162.237 -231.9480  343.787   19.727   8.3209   21.466   10.201 -1.738626 13.16416 
1 1 1    3   28  -32 o   70.632   5.1939  1761.04  134.090  1825.41  144.650  1367.83  357.503   78.660   3.1840   62.604   9.8877 16.05672 10.38772 
1 1 1    3   29  -32 o   39.675   6.4123  561.439  144.712  655.699  200.165  458.223  209.458   43.975   8.1825   35.375   9.8751 8.599228 12.82458 
1 1 1    3   30  -32 o   54.348   5.5737  962.104  164.795  918.570  200.871  1051.73  288.211   53.683   6.4788   55.012   9.0712 -1.329243 11.14730 
1 1 1    3   31  -32 o   37.251   5.8578  481.374  127.786  665.977  187.467  321.157  174.647   44.951   7.2210   29.552   9.2256 15.39964 11.71555 
1 1 1    3   32  -32 o   21.420   6.8405   22.230  182.611 -152.3258  313.954  111.480  224.493   20.407   9.7123   22.432   9.6353 -2.024916 13.68095 
1 1 1    3    0  -33 o  ?   ?  -873.3759  171.863 -873.3759  171.863   0.0000   0.0000  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    3    1  -33 o   40.767   5.6481  554.508  125.900  300.296  195.880  733.449  164.341   31.509   9.7594   50.024   5.6883 -18.51498 11.29614 
1 1 1    3    2  -33 o  232.117   2.1906 15554.84  272.096 15823.57  488.982 15434.31  327.479  233.371   3.6279  230.864   2.4561 2.506714 4.381136 
1 1 1    3    3  -33 o   13.318   4.6956 -440.3774  131.385 -454.0971  223.025 -433.0855  162.593   14.944   7.3535   11.692   5.8413 3.252195 9.391239 
1 1 1    3    4  -33 o  146.003   2.3732  6119.54  187.706  6389.24  331.645  5992.42  227.684  148.212   3.8744  143.794   2.7416 4.418686 4.746314 
1 1 1    3    5  -33 o   56.343   3.7200  910.913  117.398  858.266  147.118  1003.21  194.794   54.223   4.6979   58.463   5.7691 -4.240318 7.439931 
1 1 1    3    6  -33 o   51.655   6.7682  828.843  194.401  821.074  278.635  836.211  271.359   51.351   9.7518   51.960   9.3880 -0.6094971 13.53634 
1 1 1    3    7  -33 o   45.576   5.6158  660.898  135.829  523.732  221.018  744.145  172.183   40.853   9.5404   50.300   5.9270 -9.447323 11.23157 
1 1 1    3    8  -33 f   66.163   4.0568  1348.62  137.123  1431.80  163.147  1148.48  253.070   70.103   4.0296   62.223   7.0422 7.880230 8.113571 
1 1 1    3    9  -33 o   54.298   4.5000  866.494  140.360  828.359  187.428  915.188  211.794   52.990   6.1243   55.605   6.5950 -2.614372 9.000053 
1 1 1    3   10  -33 o   18.087   5.9871 -192.5174  154.374 -298.5042  252.163 -128.9835  195.235   18.245   8.6891   17.929   8.2390 0.3162880 11.97418 
1 1 1    3   11  -33 o   24.892   6.8124  133.097  134.734  139.082  227.520  129.865  167.204   26.145   10.282   23.640   8.9395 2.505806 13.62478 
1 1 1    3   12  -33 o   99.941   2.6550  2908.51  151.505  2936.55  232.913  2887.94  199.473  100.288   4.0212   99.594   3.4679 0.6935806 5.310044 
1 1 1    3   13  -33 o   26.226   6.5753  182.242  128.969  263.849  180.111   96.371  184.756   29.389   9.3937   23.064   9.2032 6.325672 13.15068 
1 1 1    3   14  -33 o   16.154   5.3489 -160.2186  124.989 -157.5396  177.824 -162.8344  175.718   16.265   7.6069   16.043   7.5217 0.2220440 10.69776 
1 1 1    3   15  -33 o   67.200   3.6126  1328.83  139.664  1502.21  203.427  1174.24  192.090   71.383   4.9344   63.018   5.2778 8.364559 7.225189 
1 1 1    3   16  -33 o   20.455   6.1064   16.428  130.492  119.276  154.862 -235.4097  242.331   22.513   8.5816   18.397   8.6897 4.115534 12.21285 
1 1 1    3   17  -33 o   72.114   3.1009  1530.62  129.082  1600.23  184.744  1464.22  180.432   73.730   4.3385   70.498   4.4315 3.231926 6.201704 
1 1 1    3   18  -33 o   64.239   5.5648  1231.56  186.650  1173.74  219.317  1383.44  355.466   62.453   6.0805   66.025   9.3219 -3.572159 11.12969 
1 1 1    3   19  -33 o   75.079   3.9636  1718.83  135.027  1737.06  150.867  1645.44  302.708   77.002   3.3924   73.156   7.1646 3.846260 7.927144 
1 1 1    3   20  -33 o  103.108   2.6241  3128.99  153.632  3127.67  240.061  3129.91  199.939  102.910   4.0390  103.305   3.3511 -0.3946228 5.248215 
1 1 1    3   21  -33 o   47.535   6.0638  666.550  142.814  596.034  163.656  891.727  292.449   44.061   6.4313   51.010   10.282 -6.949684 12.12757 
1 1 1    3   22  -33 o   97.892   3.0130  2858.06  167.981  2805.49  258.454  2896.51  221.032   96.858   4.6202   98.926   3.8686 -2.067749 6.026000 
1 1 1    3   23  -33 o   49.179   7.0604  737.484  151.362  1005.88  375.454  685.398  165.398   51.178   12.750   47.180   6.0700 3.998463 14.12080 
1 1 1    3   24  -33 o   38.719   8.0462  490.196  159.368  705.733  377.393  443.418  175.813   41.321   13.627   36.118   8.5592 5.202526 16.09234 
1 1 1    3   25  -33 o   83.954   4.3251  2164.23  186.541  2133.54  218.765  2245.99  357.083   84.241   4.4965   83.667   7.3897 0.5734329 8.650204 
1 1 1    3   26  -33 o   45.402   4.5937  640.134  116.664  613.638  146.713  685.701  192.399   44.575   5.6989   46.229   7.2062 -1.653736 9.187352 
1 1 1    3   27  -33 o   23.820   6.7238  149.156  140.454   93.936  191.833  212.963  206.210   21.791   9.1110   25.849   9.8908 -4.058466 13.44761 
1 1 1    3   28  -33 o   35.748   5.8407  413.666  116.448  305.321  145.818  604.404  193.475   29.594   8.2317   41.902   8.2883 -12.30816 11.68149 
1 1 1    3   29  -33 o   64.224   3.4858  1274.21  126.919  994.737  176.876  1570.84  182.223   56.518   5.4187   71.930   4.3864 -15.41205 6.971609 
1 1 1    3   30  -33 o   70.951   4.4522  1659.51  164.030  1514.06  295.644  1724.19  197.158   66.880   7.6540   75.022   4.5503 -8.141838 8.904456 
1 1 1    3    0  -34 o   15.785   9.9997   34.359  196.675   0.0000   0.0000   34.359  196.675   15.785   9.9997   15.785   9.9997 -0.000000 0.000000 
1 1 1    3    1  -34 o  107.670   2.5489  3407.36  149.335  3474.62  183.813  3276.76  256.125  109.400   2.9092  105.939   4.1861 3.461555 5.097738 
1 1 1    3    2  -34 o   29.751   6.1447  277.146  116.742  171.786  176.661  358.824  155.544   25.593   9.2765   33.909   8.0608 -8.316666 12.28939 
1 1 1    3    3  -34 o   43.867   5.1360  585.243  126.494  630.972  175.481  535.780  182.504   46.101   6.5907   41.632   7.8789 4.469662 10.27202 
1 1 1    3    4  -34 o   39.208   7.4065  450.415  144.518  424.347  160.928  559.040  328.501   36.965   7.7839   41.451   12.603 -4.485664 14.81296 
1 1 1    3    5  -34 o   35.397   6.3973  391.287  128.021  379.829  161.057  410.951  210.987   34.838   8.1496   35.956   9.8633 -1.117722 12.79455 
1 1 1    3    6  -34 o   50.623   6.2477  875.417  156.962  1003.17  189.847  599.435  279.030   58.298   5.6385   42.947   11.151 15.35087 12.49539 
1 1 1    3    7  -34 o  112.833   2.6409  3686.67  171.001  3491.22  227.070  3942.73  259.904  109.445   3.5923  116.221   3.8721 -6.775291 5.281852 
1 1 1    3    8  -34 o   24.749   6.0980  156.713  116.652   19.769  174.736  266.817  156.680   20.221   8.5878   29.277   8.6597 -9.056135 12.19594 
1 1 1    3    9  -34 o  154.989   2.0422  6982.50  182.765  6978.91  261.199  6985.94  255.823  154.939   2.9190  155.039   2.8570 -0.9976196E-01 4.084465 
1 1 1    3   10  -34 o   55.869   5.0549  926.443  161.288  1027.68  251.671  855.884  210.106   58.317   7.4723   53.421   6.8099 4.895927 10.10990 
1 1 1    3   11  -34 o   57.987   3.6248  980.249  117.325  1045.24  195.033  943.394  146.871   59.319   5.6928   56.654   4.4887 2.664631 7.249583 
1 1 1    3   12  -34 o   34.728   7.3036  397.137  157.723  437.595  204.295  337.442  248.156   36.706   9.5468   32.751   11.056 3.955448 14.60715 
1 1 1    3   13  -34 o  102.060   3.4227  3001.35  184.419  3274.14  344.301  2891.59  218.390  104.778   5.6896   99.341   3.8064 5.436859 6.845470 
1 1 1    3   14  -34 o   38.931   6.3423  500.750  135.190  525.951  167.402  453.496  229.226   40.967   7.3451   36.895   10.342 4.071392 12.68465 
1 1 1    3   15  -34 o   55.034   6.4989  1044.24  147.535  1086.13  163.301  858.165  344.160   60.550   4.6697   49.518   12.130 11.03187 12.99770 
1 1 1    3   16  -34 o   27.121   6.3379  196.512  135.518 -27.6101  197.879  394.485  185.978   19.739   8.7468   34.502   9.1744 -14.76341 12.67583 
1 1 1    3   17  -34 o   28.252   6.5954  236.564  123.651  353.342  202.089  166.684  156.330   32.417   9.8913   24.086   8.7270 8.331160 13.19089 
1 1 1    3   18  -34 o   45.138   6.3891  553.864  136.874  949.622  307.575  456.138  152.841   52.530   10.505   37.746   7.2749 14.78389 12.77827 
1 1 1    3   19  -34 o  106.963   2.6548  3384.03  163.646  3126.25  231.081  3643.38  231.782  102.781   3.8929  111.144   3.6108 -8.363655 5.309652 
1 1 1    3   20  -34 o   66.184   3.1394  1308.31  118.560  1306.21  156.154  1311.16  182.177   66.295   4.0784   66.074   4.7740 0.2205048 6.278853 
1 1 1    3   21  -34 o   25.341   7.0911  167.808  161.386  -1.6525  271.979  259.899  200.499   22.690   10.142   27.991   9.9134 -5.301077 14.18212 
1 1 1    3   22  -34 o   63.863   5.7757  1251.72  178.890  1492.35  381.928  1184.10  202.474   65.613   10.079   62.113   5.6442 3.500862 11.55148 
1 1 1    3   23  -34 o   66.252   3.3642  1317.36  123.816  1361.95  206.356  1292.28  154.772   66.727   5.3546   65.777   4.0741 0.9497604 6.728322 
1 1 1    3   24  -34 o   13.340   4.6765 -402.6343  137.441 -300.8183  184.031 -531.0484  206.676   13.891   6.8038   12.789   6.4178 1.102003 9.353044 
1 1 1    3   25  -34 o   76.498   3.4888  1764.33  144.182  1843.70  254.814  1726.94  174.868   77.043   5.7267   75.953   3.9864 1.090355 6.977547 
1 1 1    3   26  -34 o   98.938   2.6010  2912.08  142.289  2953.40  238.744  2889.32  177.198   99.020   4.1747   98.857   3.1036 0.1623306 5.201977 
1 1 1    3   27  -34 o   29.400   6.2793  298.580  115.876  221.633  150.177  411.795  182.163   25.274   8.6002   33.525   9.1517 -8.250879 12.55856 
1 1 1    3   28  -34 o   35.155   5.8012  439.337  114.752  436.548  176.036  441.398  151.321   34.550   8.7984   35.760   7.5632 -1.209881 11.60231 
1 1 1    3    0  -35 o  122.457   2.7702  4323.35  187.603  4546.37  316.256  4202.26  233.031  124.718   4.4030  120.196   3.3628 -0.000000 0.000000 
1 1 1    3    1  -35 o   22.174   6.5090   7.7823  144.888  176.039  214.964 -132.2891  196.135   26.605   10.118   17.743   8.1912 8.862555 13.01807 
1 1 1    3    2  -35 o   52.863   6.3033  850.006  184.702  646.572  241.806  1134.96  286.184   44.792   9.6333   60.935   8.1319 -16.14337 12.60668 
1 1 1    3    3  -35 o   14.822   5.0716 -278.6431  131.996 -389.4607  212.214 -208.7180  168.572   14.871   7.2885   14.772   7.0542 0.9883595E-01 10.14317 
1 1 1    3    4  -35 o   97.458   2.5904  2802.60  141.453  2662.76  226.441  2892.09  181.145   95.290   4.1145   99.625   3.1483 -4.334328 5.180838 
1 1 1    3    5  -35 o   16.256   5.4942 -253.0092  145.696 -309.3391  214.361 -204.6442  198.629   15.932   7.6968   16.580   7.8424 -0.6480989 10.98833 
1 1 1    3    6  -35 o   75.173   3.7929  1670.05  163.969  1900.49  239.781  1467.64  224.725   80.091   5.1838   70.256   5.5384 9.834900 7.585864 
1 1 1    3    7  -35 o   35.240   6.8916  419.598  151.878  536.484  198.314  253.793  236.195   40.934   8.6589   29.547   10.724 11.38638 13.78318 
1 1 1    3    8  -35 o   76.251   3.5021  1722.52  154.166  1776.74  218.077  1668.35  217.969   77.481   4.8734   75.021   5.0307 2.460236 7.004107 
1 1 1    3    9  -35 o   62.452   4.8544  1155.47  175.094   0.0000   0.0000  1155.47  175.094  ?   ?    62.452   4.8544      ?      ? 
1 1 1    3   10  -35 o   64.101   5.0675  1269.71  164.183  1227.30  316.850  1285.28  191.965   62.456   8.7840   65.747   5.0555 -3.290775 10.13494 
1 1 1    3   11  -35 o   29.311   7.4243  265.668  149.873  294.587  170.658  168.168  313.355   30.113   9.0677   28.509   11.758 1.604372 14.84855 
1 1 1    3   12  -35 o   57.393   5.0775  1000.23  152.555  1051.69  284.775  979.517  180.666   57.654   8.5523   57.132   5.4754 0.5223885 10.15491 
1 1 1    3   13  -35 o   19.811   6.2033 -159.0244  142.478 -327.8636  175.996  162.054  242.701   13.384   6.5754   26.238   10.521 -12.85385 12.40655 
1 1 1    3   14  -35 o   21.649   6.4761   58.488  137.059   19.743  226.534   80.861  172.140   21.915   9.5455   21.383   8.7547 0.5319805 12.95224 
1 1 1    3   15  -35 o   47.377   5.8215  741.096  151.709  847.263  204.380  610.816  226.403   52.312   6.7648   42.441   9.4762 9.870872 11.64306 
1 1 1    3   16  -35 o   17.590   5.7701 -143.2966  137.482 -225.5268  177.637 -20.4672  217.104   14.735   7.0903   20.444   9.1051 -5.709043 11.54013 
1 1 1    3   17  -35 o   51.714   7.1562  935.364  195.326  880.304  340.428  962.386  238.487   48.380   12.189   55.047   7.5014 -6.667583 14.31242 
1 1 1    3   18  -35 f   70.539   3.5770  1506.94  145.568  1440.29  206.923  1572.25  204.820   68.902   5.1998   72.176   4.9135 -3.273598 7.154097 
1 1 1    3   19  -35 o   57.814   5.7412  1050.89  142.743  1024.88  157.879  1167.37  334.091   58.332   4.6863   57.296   10.482 1.035866 11.48235 
1 1 1    3   20  -35 o   81.351   4.2583  2063.60  192.706  2005.35  314.156  2098.74  244.004   79.619   6.8319   83.082   5.0851 -3.463654 8.516690 
1 1 1    3   21  -35 o   19.848   6.1559   20.543  132.794   46.204  166.408 -24.4493  220.348   19.597   8.3532   20.098   9.0446 -0.5008106 12.31183 
1 1 1    3   22  -35 o   19.466   6.1761 -19.0103  144.308   36.152  183.169 -109.2786  234.313   19.926   8.6312   19.006   8.8361 0.9197979 12.35210 
1 1 1    3   23  -35 o   21.488   6.2542  105.131  123.642  159.411  141.111 -74.2947  256.556   22.656   8.2787   20.320   9.3766 2.335381 12.50831 
1 1 1    3   24  -35 o   23.194   7.1040   68.352  179.918  213.627  261.971 -61.3461  247.528   26.321   10.791   20.068   9.2422 6.253757 14.20794 
1 1 1    3   25  -35 o   38.106   5.3645  494.554  113.708  477.536  155.364  514.186  166.866   37.498   7.4366   38.714   7.7336 -1.216869 10.72901 
1 1 1    3   26  -35 o   71.385   3.3095  1567.48  136.437  1557.57  193.406  1577.30  192.499   71.135   4.7076   71.636   4.6528 -0.5004425 6.618916 
1 1 1    3    0  -36 o   16.143   7.8681 -258.0786  241.309   0.3347  358.123 -472.9727  326.578   19.303   12.691   12.982   9.3035 -0.000000 0.000000 
1 1 1    3    1  -36 o   98.941   3.0901  2821.21  161.356  2719.72  191.058  3073.65  301.326   96.351   3.4334  101.532   5.1386 -5.180954 6.180115 
1 1 1    3    2  -36 o   47.237   5.0754  685.661  138.430  679.895  197.393  691.241  194.187   47.004   7.2712   47.470   7.0830 -0.4653473 10.15084 
1 1 1    3    3  -36 o   42.857   7.4270  699.859  184.254  360.537  355.622  824.374  215.424   33.949   12.989   51.765   7.2056 -17.81619 14.85393 
1 1 1    3    4  -36 o   59.062   4.9076  1105.98  160.720  856.162  242.662  1301.20  214.517   52.329   8.0293   65.795   5.6453 -13.46600 9.815197 
1 1 1    3    5  -36 o  128.560   2.4333  4837.08  180.073  4731.25  243.800  4964.12  267.116  127.083   3.3217  130.037   3.5567 -2.954018 4.866610 
1 1 1    3    6  -36 o   57.402   6.4132  1026.29  177.056  987.243  203.024  1150.31  361.828   57.026   6.1644   57.777   11.248 -0.7511139 12.82633 
1 1 1    3    7  -36 o   68.574   4.9831  1574.45  139.189  1639.02  152.927  1262.74  336.005   74.687   3.5453   62.461   9.3143 12.22600 9.966228 
1 1 1    3    8  -36 o   27.668   7.7103  209.369  166.564   71.066  368.612  244.854  186.713   27.532   12.079   27.804   9.5859 -0.2718220 15.42064 
1 1 1    3    9  -36 o   37.646   6.4462  464.785  138.315  578.117  212.567  381.566  182.150   41.603   9.1000   33.689   9.1327 7.914124 12.89244 
1 1 1    3   10  -36 o   19.501   6.2533 -66.6561  152.181 -69.8870  220.799 -63.7326  210.037   19.685   8.9373   19.317   8.7488 0.3686275 12.50662 
1 1 1    3   11  -36 o   80.926   3.1759  1924.38  146.355  2124.28  230.903  1790.14  189.219   84.236   4.7462   77.616   4.2212 6.620331 6.351747 
1 1 1    3   12  -36 o  ?   ?  -1229.0110  176.033 -1479.1450  320.370 -1120.8300  210.688  ?   ?   ?   ?       ?      ? 
1 1 1    3   13  -36 o   48.478   4.1977  722.010  117.346  755.068  164.529  687.784  167.414   49.706   5.7312   47.250   6.1348 2.455750 8.395430 
1 1 1    3   14  -36 o   51.121   4.1673  795.677  122.125  744.424  161.347  864.430  186.873   49.330   5.6632   52.912   6.1151 -3.582264 8.334652 
1 1 1    3   15  -36 f   81.837   2.7044  1990.20  127.453  2014.07  174.435  1962.86  186.677   82.457   3.6629   81.217   3.9798 1.239159 5.408813 
1 1 1    3   16  -36 o   50.471   5.0034  811.738  140.850  821.805  178.992  795.367  228.257   51.519   6.0156   49.423   7.9967 2.095924 10.00672 
1 1 1    3   17  -36 o  102.215   2.5509  3097.80  150.574  3035.67  212.064  3160.97  213.835  101.165   3.6295  103.265   3.5854 -2.099823 5.101837 
1 1 1    3   18  -36 o   53.269   4.4558  868.417  127.646  832.871  153.674  947.515  229.240   52.276   5.0899   54.262   7.3150 -1.985374 8.911591 
1 1 1    3   19  -36 o   36.920   6.4674  457.747  131.628  398.671  161.351  575.286  227.591   34.054   8.2833   39.787   9.9346 -5.732895 12.93481 
1 1 1    3   20  -36 o   37.236   7.6346  530.836  168.403  521.886  301.005  534.914  203.176   35.728   12.176   38.745   9.2143 -3.016850 15.26920 
1 1 1    3   21  -36 o   64.402   5.3025  1409.79  181.813  1201.03  306.192  1523.49  225.961   58.834   9.0112   69.970   5.5916 -11.13610 10.60506 
1 1 1    3   22  -36 o   23.187   6.8052   45.776  163.386 -168.8799  216.913  327.268  248.398   17.052   8.1030   29.322   10.936 -12.27051 13.61047 
1 1 1    3   23  -36 o   23.113   6.4933  159.957  134.167   10.587  244.950  223.977  160.362   20.989   9.4824   25.237   8.8733 -4.247957 12.98657 
1 1 1    3   24  -36 o   28.834   7.5482  329.430  167.522  391.228  243.414  273.821  230.905   30.724   10.918   26.943   10.425 3.780991 15.09633 
1 1 1    3    0  -37 o  100.529   4.5294  3051.66  259.914  3295.30  369.860  2813.95  365.329  104.698   6.1656   96.359   6.6369 -0.000000 0.000000 
1 1 1    3    1  -37 o   68.226   4.0793  1407.61  159.406  1177.93  216.761  1678.12  235.238   62.030   6.0505   74.423   5.4729 -12.39250 8.158521 
1 1 1    3    2  -37 o  105.540   2.9771  3263.64  181.466  3263.64  181.466   0.0000   0.0000  105.540   2.9771  ?   ?       ?      ? 
1 1 1    3    3  -37 o   31.414   6.6449  342.309  152.137  526.791  195.382   58.179  242.474   39.639   8.7670   23.190   9.9879 16.44983 13.28976 
1 1 1    3    4  -37 o   59.287   4.5937  1062.08  155.433  912.756  202.258  1277.47  242.916   54.348   6.4437   64.226   6.5488 -9.878410 9.187384 
1 1 1    3    5  -37 o   17.937   5.8343 -112.3489  136.266 -180.3044  176.050 -10.7949  215.215   15.332   7.2901   20.541   9.1111 -5.208903 11.66867 
1 1 1    3    6  -37 o   60.742   6.7047  1360.67  169.405  1022.32  372.371  1448.97  190.231   52.001   12.544   69.484   4.7404 -17.48223 13.40947 
1 1 1    3    7  -37 o   15.353   7.8100 -887.7416  173.540 -785.2319  195.648 -1265.9800  375.817  ?   ?    15.353   7.8100      ?      ? 
1 1 1    3    8  -37 o   24.321   7.2467   17.148  170.506  318.270  299.441 -127.3303  207.416   30.839   11.889   17.803   8.2891 13.03603 14.49334 
1 1 1    3    9  -37 o   25.370   7.0329  118.453  149.767  349.069  256.395  -0.9858  184.518   31.430   11.202   19.309   8.5068 12.12006 14.06583 
1 1 1    3   10  -37 o   51.696   4.8811  811.308  142.637  1005.19  232.823  694.817  180.471   56.291   7.1615   47.101   6.6343 9.189835 9.762224 
1 1 1    3   11  -37 o   34.796   7.2114  388.944  153.755  250.829  190.175  649.621  261.266   27.430   9.6612   42.163   10.709 -14.73227 14.42278 
1 1 1    3   12  -37 o  142.259   2.6764  6043.13  213.864  6149.95  274.081  5876.85  341.958  144.366   3.2872  140.152   4.2246 4.214478 5.352870 
1 1 1    3   13  -37 f   50.325   5.1480  844.185  139.150  656.472  210.399  990.127  185.518   43.947   8.5974   56.702   5.6650 -12.75541 10.29601 
1 1 1    3   14  -37 o   38.769   6.3112  496.580  136.911  682.810  221.606  381.617  174.115   44.497   8.9335   33.041   8.9172 11.45601 12.62235 
1 1 1    3   15  -37 o   21.480   7.0355 -56.2529  191.024 -265.6175  390.640   9.5450  218.993   22.258   10.659   20.701   9.1860 1.557114 14.07094 
1 1 1    3   16  -37 o   38.981   8.4503  559.181  192.326  479.655  226.358  765.633  364.712   35.834   10.355   42.128   13.357 -6.294209 16.90053 
1 1 1    3   17  -37 o   17.657   6.0359 -205.8330  156.301 -207.5553  180.254 -200.6133  313.793   14.852   7.1453   20.461   9.7299 -5.609577 12.07175 
1 1 1    3   18  -37 o   65.160   3.5381  1321.07  124.104  1246.18  214.520  1358.75  152.150   63.005   5.8954   67.315   3.9136 -4.310211 7.076117 
1 1 1    3   19  -37 o   33.978   6.9549  421.936  138.958  487.651  238.388  388.116  171.018   35.163   10.746   32.793   8.8322 2.369465 13.90975 
1 1 1    3   20  -37 o   58.221   3.9070  1058.90  130.946  1115.38  194.818  1012.36  176.854   59.510   5.6683   56.932   5.3787 2.578781 7.814062 
1 1 1    3   21  -37 o   16.318   5.6425 -278.3283  164.844 -310.1364  285.311 -262.3896  201.966   17.716   8.6325   14.920   7.2686 2.795884 11.28509 
1 1 1    3    0  -38 o   13.038   6.5453 -318.6163  207.267 -431.0005  329.732 -245.2014  266.502   13.125   9.3966   12.951   9.1142 -0.000000 0.000000 
1 1 1    3    1  -38 o   30.645   6.5536  326.639  125.682  319.870  172.440  334.310  183.563   30.379   9.1076   30.912   9.4259 -0.5336399 13.10713 
1 1 1    3    2  -38 o   15.717   5.1874 -198.8994  127.518   5.9520  168.947 -470.1130  194.396   18.690   8.1893   12.743   6.3697 5.946886 10.37486 
1 1 1    3    3  -38 o   42.627   6.3778  607.202  145.095  586.039  175.095  653.585  259.217   42.955   7.0579   42.299   10.625 0.6559410 12.75551 
1 1 1    3    4  -38 o   17.280   8.5983 -705.4341  154.652 -660.1791  337.527 -717.4595  173.991   17.280   8.5983  ?   ?       ?      ? 
1 1 1    3    5  -38 o   22.118   6.3845  104.145  131.967  165.380  165.717  -2.0004  218.181   23.672   8.9116   20.564   9.1450 3.108147 12.76903 
1 1 1    3    6  -38 o   24.501   7.0501  137.073  149.364   91.533  183.332  226.976  257.591   21.638   8.9649   27.364   10.883 -5.726400 14.10022 
1 1 1    3    7  -38 o   60.776   6.8741  1324.53  199.717  1164.24  380.832  1385.33  234.558   54.819   12.328   66.734   6.0858 -11.91508 13.74813 
1 1 1    3    8  -38 o   14.679   5.1324 -435.2629  161.451 -642.9267  258.427 -302.3219  206.769   14.295   7.1739   15.064   7.3419 -0.7685242 10.26489 
1 1 1    3    9  -38 o   40.726   5.3096  565.374  118.233  689.400  158.760  410.929  177.163   47.162   5.8286   34.290   8.8766 12.87181 10.61917 
1 1 1    3   10  -38 o   30.750   7.7483  347.905  170.484  367.394  206.706  306.445  301.492   31.753   10.054   29.747   11.792 2.006060 15.49661 
1 1 1    3   11  -38 o  108.358   3.7189  3570.68  221.645  3496.94  273.835  3710.77  377.435  107.706   4.4021  109.009   5.9951 -1.303177 7.437706 
1 1 1    3   12  -38 o   23.757   6.8533  148.163  146.600  189.806  175.476   51.930  266.751   24.506   9.1811   23.008   10.177 1.498400 13.70664 
1 1 1    3   13  -38 f   81.163   3.5503  2075.49  152.439  2181.92  185.551  1854.49  267.370   85.481   3.7584   76.846   6.0243 8.635300 7.100573 
1 1 1    3   14  -38 o   25.232   7.1503  179.433  163.792   67.853  232.335  289.682  230.944   22.150   9.6570   28.315   10.547 -6.164398 14.30054 
1 1 1    3   15  -38 o   88.120   3.2293  2359.06  163.997  2282.31  223.410  2448.74  241.499   86.672   4.4631   89.568   4.6685 -2.895996 6.458632 
1 1 1    3   16  -38 o   22.689   6.6307   52.337  148.722 -113.9128  190.421  312.354  238.142   16.689   7.8262   28.690   10.706 -12.00112 13.26146 
1 1 1    3   17  -38 o   90.255   3.2626  2506.24  162.654  2531.24  203.582  2462.11  270.469   91.681   3.8448   88.828   5.2721 2.852592 6.525128 
1 1 1    3   18  -38 o   27.402   6.5628  282.610  125.901  331.410  171.633  225.759  185.249   29.641   9.1279   25.162   9.4320 4.478931 13.12563 
1 1 1    3    0  -39 o   43.664   9.3414  718.666  189.020  656.087  221.686  885.322  361.772   42.526   10.422   44.802   15.506 -0.000000 0.000000 
1 1 1    3    1  -39 o   16.092   5.4347 -187.5042  139.607 -140.4960  177.673 -263.3634  225.704   15.829   7.4655   16.354   7.9000 -0.5253468 10.86934 
1 1 1    3    2  -39 f   23.220   7.1125   86.819  174.121  153.068  206.941 -73.7794  322.203   23.924   9.6718   22.515   10.431 1.409021 14.22495 
1 1 1    3    3  -39 o   19.507   6.4423 -57.6518  152.712   3.1109  167.361 -359.8697  373.246   18.337   8.0887   20.678   10.029 -2.341202 12.88459 
1 1 1    3    4  -39 o   21.143   6.7144 -12.6304  175.356 -304.3593  327.136  104.988  207.719   19.764   9.5380   22.523   9.4531 -2.759422 13.42886 
1 1 1    3    5  -39 o   38.614   6.4448  515.619  135.031  577.563  235.930  485.444  164.668   39.342   10.273   37.887   7.7858 1.454765 12.88966 
1 1 1    3    6  -39 o   76.588   5.2262  1882.73  218.957  2024.33  378.063  1811.26  268.587   77.332   8.4649   75.845   6.1316 1.486740 10.45231 
1 1 1    3    7  -39 o   36.213   10.548  501.552  234.054   0.0000   0.0000  501.552  234.054  ?   ?    36.213   10.548      ?      ? 
1 1 1    3    8  -39 o   25.858   7.0885  216.556  149.636  238.783  231.142  200.521  196.329   26.694   10.402   25.022   9.6322 1.672411 14.17696 
1 1 1    3    9  -39 o   17.201   5.6434 -198.0159  144.314   67.418  206.838 -449.8000  201.449   21.300   9.1991   13.103   6.5396 8.196206 11.28675 
1 1 1    3   10  -39 o  137.863   3.1763  5877.87  219.828  5992.23  256.525  5561.72  426.513  142.232   3.1228  133.494   5.5320 8.738647 6.352594 
1 1 1    3   11  -39 o   35.291   6.7531  483.089  152.071  649.660  205.637  282.055  225.911   42.870   8.6046   27.713   10.410 15.15717 13.50610 
1 1 1    3   12  -39 o   33.957   6.8798  442.274  161.487  185.835  231.872  683.816  225.036   24.716   10.145   43.197   9.2956 -18.48108 13.75959 
1 1 1    3   13  -39 o   35.617   6.3519  482.276  133.814  361.866  201.587  577.129  178.919   30.511   9.9547   40.722   7.8925 -10.21083 12.70382 
1 1 1    3   14  -39 o   20.703   6.5381   30.582  163.120 -204.1292  303.954  125.523  193.316   19.418   9.3259   21.989   9.1659 -2.570723 13.07611 
1 1 1    3    0  -40 o   41.533   12.474  697.756  260.748  697.756  260.748   0.0000   0.0000   41.533   12.474   41.533   12.474 -0.000000 0.000000 
1 1 1    3    1  -40 o   66.084   3.8242  1368.62  144.851  1411.98  195.690  1316.08  215.431   67.597   5.0125   64.571   5.7768 3.026115 7.648316 
1 1 1    3    2  -40 o   32.110   6.7350  419.553  155.182  139.052  261.155  572.655  192.939   24.117   10.376   40.103   8.5891 -15.98617 13.47009 
1 1 1    3    3  -40 o   25.707   6.7547  167.460  147.886  429.885  227.967 -23.2236  194.324   32.866   10.575   18.549   8.4068 14.31709 13.50938 
1 1 1    3    4  -40 o   14.080   4.7865 -178.7083  113.877 -181.6942  159.327 -175.5901  162.822   13.936   6.7082   14.223   6.8295 -0.2865467 9.572962 
1 1 1    3    5  -40 o   41.058   6.4925  550.766  143.514  884.999  259.312  403.190  172.308   48.957   9.5138   33.159   8.8373 15.79839 12.98502 
1 1 1    3    6  -40 o   13.081   6.5229 -423.8575  198.668   0.0000   0.0000 -423.8575  198.668  ?   ?    13.081   6.5229      ?      ? 
1 1 1    3    7  -40 o   21.950   6.5389   53.942  145.265  275.908  232.900 -87.3928  185.845   27.097   10.474   16.802   7.8307 10.29540 13.07790 
1 1 1    3    8  -40 o   25.911   6.9118  243.804  139.742  230.031  182.787  263.178  216.784   25.281   9.3902   26.541   10.145 -1.259640 13.82353 
1 1 1    4    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    1    0 o  424.187   2.2073 51765.16  510.564 52611.59  885.054 51342.98  625.053  426.756   3.5915  421.618   2.5671 -0.000000 0.000000 
1 1 1    4    2    0 o  375.693   2.0677 40994.51  421.826 40109.77  730.286 41437.49  516.749  372.615   3.3941  378.772   2.3624 -0.000000 0.000000 
1 1 1    4    3    0 o  293.964   1.6482 24996.81  263.627 25068.79  322.919 24852.96  456.494  294.613   1.8980  293.315   2.6952 -0.000000 0.000000 
1 1 1    4    4    0 o  709.553   2.9713 145436.91  1217.53 145166.80  1720.03 145708.00  1723.67  708.893   4.2015  710.213   4.2026 -0.000000 0.000000 
1 1 1    4    5    0 o  135.927   1.2703  5336.09   99.654  5435.43  143.007  5242.31  138.945  137.156   1.8060  134.697   1.7868 -0.000000 0.000000 
1 1 1    4    6    0 o  107.079   1.3192  3315.53   81.462  3278.98  117.257  3349.63  113.256  106.505   1.9076  107.652   1.8228 -0.000000 0.000000 
1 1 1    4    7    0 o  172.089   1.3796  8556.25  137.036  8532.84  196.168  8578.57  191.511  171.858   1.9770  172.320   1.9248 -0.000000 0.000000 
1 1 1    4    8    0 o  577.818   2.4517 96441.05  818.066 96425.52  1162.72 96456.30  1151.20  577.771   3.4847  577.865   3.4497 -0.000000 0.000000 
1 1 1    4    9    0 o  215.932   1.1116 13466.77  138.603 13568.59  196.505 13365.97  195.528  216.744   1.5700  215.120   1.5740 -0.000000 0.000000 
1 1 1    4   10    0 o  223.432   1.5711 14419.52  202.666 14523.22  289.412 14319.74  283.893  224.219   2.2354  222.644   2.2083 -0.000000 0.000000 
1 1 1    4   11    0 o  112.085   1.1754  3625.93   73.050  3646.43  121.735  3614.40   91.319  112.322   1.8778  111.849   1.4142 -0.000000 0.000000 
1 1 1    4   12    0 f  340.674   1.8926 33460.84  352.234 33330.52  432.495 33717.54  607.020  339.706   2.2046  341.642   3.0770 -0.000000 0.000000 
1 1 1    4   13    0 o  321.257   1.4709 29810.00  272.865 29583.58  387.098 30033.63  384.692  320.043   2.0944  322.470   2.0658 -0.000000 0.000000 
1 1 1    4   14    0 o  194.238   1.5383 10899.56  172.514 10902.57  242.865 10896.50  245.094  194.266   2.1652  194.211   2.1857 -0.000000 0.000000 
1 1 1    4   15    0 o  994.393   5.8486 285777.41  3358.20 285460.00  4772.00 286088.91  4726.76  993.841   8.3151  994.944   8.2271 -0.000000 0.000000 
1 1 1    4   16    0 o  756.266   4.4966 165242.30  1963.68 166317.91  2788.68 164184.50  2765.57  758.707   6.3651  753.825   6.3533 -0.000000 0.000000 
1 1 1    4   17    0 o  1261.85   7.4057 460319.91  5394.90 473520.09  7649.99 447259.81  7609.26  1279.87   10.351  1243.84   10.594 -0.000000 0.000000 
1 1 1    4   18    0 o  353.821   2.3132 36227.44  471.684 34818.97  680.010 37533.51  654.825  347.175   3.3922  360.467   3.1459 -0.000000 0.000000 
1 1 1    4   19    0 o  584.102   3.5930 98603.59  1210.32 97778.09  1752.76 99355.92  1673.30  581.756   5.2176  586.447   4.9412 -0.000000 0.000000 
1 1 1    4   20    0 o   34.883   5.1372  406.233   83.409  428.219  101.962  361.761  145.017   37.566   4.9359   32.200   9.0112 -0.000000 0.000000 
1 1 1    4   21    0 o   52.964   3.2598  751.972   90.542  480.470  111.572  1275.60  154.947   39.848   5.0721   66.079   4.0961 -0.000000 0.000000 
1 1 1    4   22    0 o  255.579   1.8866 18856.76  278.304 18328.71  387.343 19420.24  400.130  251.882   2.6633  259.276   2.6727 -0.000000 0.000000 
1 1 1    4   23    0 o  553.372   3.4624 88629.88  1103.80 85819.92  1601.07 91175.20  1523.81  544.984   5.0878  561.760   4.6975 -0.000000 0.000000 
1 1 1    4   24    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   25    0 o  439.468   3.8830 55800.32  985.375   0.0000   0.0000 55800.32  985.375  439.468   3.8830  439.468   3.8830 -0.000000 0.000000 
1 1 1    4   26    0 o  294.266   2.0873 25011.79  354.693   0.0000   0.0000 25011.79  354.693  294.266   2.0873  294.266   2.0873 -0.000000 0.000000 
1 1 1    4   27    0 o   54.704   3.8862  877.531  121.359   0.0000   0.0000  877.531  121.359   54.704   3.8862   54.704   3.8862 -0.000000 0.000000 
1 1 1    4   28    0 o  174.017   1.8317  8748.48  184.046   0.0000   0.0000  8748.48  184.046  174.017   1.8317  174.017   1.8317 -0.000000 0.000000 
1 1 1    4   29    0 o  284.978   2.0445 23459.45  336.466   0.0000   0.0000 23459.45  336.466  284.978   2.0445  284.978   2.0445 -0.000000 0.000000 
1 1 1    4   30    0 o  228.572   1.8384 15092.27  242.653   0.0000   0.0000 15092.27  242.653  228.572   1.8384  228.572   1.8384 -0.000000 0.000000 
1 1 1    4   31    0 o  112.284   2.0969  3645.45  135.875   0.0000   0.0000  3645.45  135.875  112.284   2.0969  112.284   2.0969 -0.000000 0.000000 
1 1 1    4   32    0 o   79.440   2.5612  1828.85  117.230   0.0000   0.0000  1828.85  117.230   79.440   2.5612   79.440   2.5612 -0.000000 0.000000 
1 1 1    4   33    0 o   66.445   3.2481  1285.07  123.968   0.0000   0.0000  1285.07  123.968   66.445   3.2481   66.445   3.2481 -0.000000 0.000000 
1 1 1    4   34    0 o   20.128   8.8523  168.956  107.752   0.0000   0.0000  168.956  107.752   20.128   8.8523   20.128   8.8523 -0.000000 0.000000 
1 1 1    4   35    0 o  413.138   2.6819 49328.39  639.858   0.0000   0.0000 49328.39  639.858  413.138   2.6819  413.138   2.6819 -0.000000 0.000000 
1 1 1    4   36    0 o  241.013   1.9263 16783.29  268.093   0.0000   0.0000 16783.29  268.093  241.013   1.9263  241.013   1.9263 -0.000000 0.000000 
1 1 1    4   37    0 o  123.758   2.0913  4428.60  149.378   0.0000   0.0000  4428.60  149.378  123.758   2.0913  123.758   2.0913 -0.000000 0.000000 
1 1 1    4   38    0 o  175.936   1.8925  8945.16  192.249   0.0000   0.0000  8945.16  192.249  175.936   1.8925  175.936   1.8925 -0.000000 0.000000 
1 1 1    4   39    0 o  344.790   2.3512 34357.39  468.153   0.0000   0.0000 34357.39  468.153  344.790   2.3512  344.790   2.3512 -0.000000 0.000000 
1 1 1    4   40    0 o  121.128   2.2784  4244.42  159.265   0.0000   0.0000  4244.42  159.265  121.128   2.2784  121.128   2.2784 -0.000000 0.000000 
1 1 1    4   41    0 o  113.475   2.1342  3725.15  139.756   0.0000   0.0000  3725.15  139.756  113.475   2.1342  113.475   2.1342 -0.000000 0.000000 
1 1 1    4   42    0 f   68.632   5.0590  1389.02  198.022   0.0000   0.0000  1389.02  198.022   68.632   5.0590   68.632   5.0590 -0.000000 0.000000 
1 1 1    4   43    0 o   54.818   4.1014  885.784  128.177   0.0000   0.0000  885.784  128.177   54.818   4.1014   54.818   4.1014 -0.000000 0.000000 
1 1 1    4   44    0 o   51.948   6.0481  818.839  175.033   0.0000   0.0000  818.839  175.033   51.948   6.0481   51.948   6.0481 -0.000000 0.000000 
1 1 1    4   45    0 o   43.508   6.8093  594.085  158.597   0.0000   0.0000  594.085  158.597   43.508   6.8093   43.508   6.8093 -0.000000 0.000000 
1 1 1    4   46    0 o   67.875   3.9466  1354.52  153.513   0.0000   0.0000  1354.52  153.513   67.875   3.9466   67.875   3.9466 -0.000000 0.000000 
1 1 1    4   47    0 o   76.506   3.5379  1715.20  155.565   0.0000   0.0000  1715.20  155.565   76.506   3.5379   76.506   3.5379 -0.000000 0.000000 
1 1 1    4   48    0 o  101.104   4.4913  3018.32  261.079   0.0000   0.0000  3018.32  261.079  101.104   4.4913  101.104   4.4913 -0.000000 0.000000 
1 1 1    4   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50    0 o   60.972   7.1224  1171.15  241.865   0.0000   0.0000  1171.15  241.865   60.972   7.1224   60.972   7.1224 -0.000000 0.000000 
1 1 1    4   51    0 o   49.663   9.1277  838.963  235.715   0.0000   0.0000  838.963  235.715   49.663   9.1277   49.663   9.1277 -0.000000 0.000000 
1 1 1    4   52    0 o   18.171   11.005  144.266  213.214   0.0000   0.0000  144.266  213.214   18.171   11.005   18.171   11.005 -0.000000 0.000000 
1 1 1    4    0   -1 o  269.475   1.5714 20921.71  230.844 20813.52  282.749 21137.96  399.766  268.445   1.8239  270.506   2.5594 -0.000000 0.000000 
1 1 1    4    1   -1 o  814.884   2.5890 192079.59  1205.40 193605.80  1595.58 190050.50  1839.77  818.682   3.3746  811.086   3.9275 7.595703 5.178089 
1 1 1    4    2   -1 o  357.793   1.3890 36914.23  270.897 36799.17  331.884 37143.90  468.913  356.966   1.6098  358.621   2.2640 -1.655884 2.777959 
1 1 1    4    3   -1 o  415.770   1.9900 49991.63  382.511 50033.36  427.839 49825.38  853.891  416.230   1.7798  415.310   3.5600 0.9195862 3.980051 
1 1 1    4    4   -1 o  126.332   0.9065  4609.27   66.119  4598.20   94.767  4619.77   92.294  126.185   1.3004  126.480   1.2635 -0.2958755 1.813100 
1 1 1    4    5   -1 o  301.855   1.2458 26286.19  212.730 26452.87  337.196 26175.98  274.178  302.647   1.9291  301.064   1.5768 1.582916 2.491579 
1 1 1    4    6   -1 o  102.656   1.0523  3074.22   55.079  3109.89   64.443  2977.52  106.097  103.774   1.0752  101.538   1.8092 2.235641 2.104605 
1 1 1    4    7   -1 o  576.346   1.8572 95915.07  611.977 96132.83  934.502 95751.57  809.771  576.911   2.8047  575.782   2.4351 1.128967 3.714313 
1 1 1    4    8   -1 o  249.865   0.9348 18054.70  133.417 18201.81  176.483 17858.50  203.813  251.056   1.2172  248.675   1.4191 2.380844 1.869583 
1 1 1    4    9   -1 o  184.883   1.1939  9871.40  120.746  9871.99  207.189  9871.09  148.588  184.884   1.9404  184.881   1.3916 0.3341675E-02 2.387769 
1 1 1    4   10   -1 o  125.684   1.2121  4558.77   80.759  4553.91   96.607  4570.03  147.155  125.575   1.3321  125.793   2.0255 -0.2177734 2.424261 
1 1 1    4   11   -1 o  399.558   1.3483 46041.63  308.247 46574.24  470.261 45640.41  408.159  401.579   2.0276  397.538   1.7777 4.041138 2.696570 
1 1 1    4   12   -1 o  348.539   1.2978 35082.40  261.242 34954.16  368.705 35211.68  370.205  347.899   1.8350  349.178   1.8357 -1.279144 2.595612 
1 1 1    4   13   -1 o  853.244   4.1815 210704.59  1792.26 209777.80  3556.70 211020.09  2074.97  851.819   7.2296  854.669   4.2037 -2.850403 8.362902 
1 1 1    4   14   -1 o   50.936   1.7514  760.149   46.119  724.835   86.546  774.154   54.501   50.096   2.9913   51.775   1.8226 -1.679161 3.502818 
1 1 1    4   15   -1 o  315.802   1.8983 28852.99  326.049 28951.95  399.217 28654.75  565.043  316.623   2.1831  314.981   3.1061 1.642792 3.796553 
1 1 1    4   16   -1 o  465.177   1.8568 62574.10  489.784 62918.90  635.947 62071.42  767.875  466.760   2.3591  463.595   2.8679 3.164154 3.713513 
1 1 1    4   17   -1 o  150.738   1.2733  6544.92  104.265  6512.32  127.246  6611.54  181.891  150.170   1.4672  151.307   2.0814 -1.137024 2.546563 
1 1 1    4   18   -1 o  364.499   1.6597 38380.03  349.262 37911.38  498.898 38830.47  489.109  362.316   2.3842  366.682   2.3096 -4.366577 3.319400 
1 1 1    4   19   -1 o  411.911   2.2703 48867.36  512.960 48569.08  632.150 49442.41  877.726  410.087   2.6691  413.736   3.6733 -3.648376 4.540559 
1 1 1    4   20   -1 o  465.123   2.5026 62280.07  637.956 61836.41  785.276 63141.27  1094.07  462.711   2.9385  467.534   4.0518 -4.822968 5.005175 
1 1 1    4   21   -1 o  453.127   2.7907 59321.87  730.161 59954.61  1025.38 58670.96  1039.98  455.581   3.8970  450.674   3.9956 4.907074 5.581348 
1 1 1    4   22   -1 o  561.524   3.3516 91110.83  1086.82 92347.01  1533.36 89862.86  1540.65  565.355   4.6961  557.693   4.7833 7.661377 6.703211 
1 1 1    4   23   -1 o  519.102   2.6523 77829.47  795.158   0.0000   0.0000 77829.47  795.158  ?   ?   519.102   2.6523      ?      ? 
1 1 1    4   24   -1 o   92.230   2.5674  2456.91  136.756   0.0000   0.0000  2456.91  136.756  ?   ?    92.230   2.5674      ?      ? 
1 1 1    4   25   -1 o  300.362   2.1115 26074.71  366.060 26544.83  511.641 25581.70  523.953  303.139   2.9224  297.584   3.0486 5.554565 4.223059 
1 1 1    4   26   -1 o  384.033   2.5586 42601.34  567.483   0.0000   0.0000 42601.34  567.483  ?   ?   384.033   2.5586      ?      ? 
1 1 1    4   27   -1 o  127.654   2.0490  4707.43  151.029  4730.06  216.057  4685.79  211.200  127.953   2.9237  127.354   2.8714 0.5990753 4.097912 
1 1 1    4   28   -1 o   84.138   2.6682  2018.99  128.677  2274.89  197.339  1829.71  169.721   88.713   3.8516   79.564   3.6935 9.149101 5.336357 
1 1 1    4   29   -1 o  420.128   2.2695 50742.87  523.450 51879.11  896.274 50154.70  644.855  423.626   3.6633  416.631   2.6799 6.994659 4.538930 
1 1 1    4   30   -1 o   96.200   2.2984  2673.81  127.697  2673.81  127.697   0.0000   0.0000   96.200   2.2984  ?   ?       ?      ? 
1 1 1    4   31   -1 o   58.465   3.1336  1014.09   92.812  937.320  178.275  1042.63  108.705   56.875   5.4273   60.054   3.1342 -3.178238 6.267234 
1 1 1    4   32   -1 o   62.814   3.3582  1140.27  121.600  1184.15  178.657  1102.39  165.977   63.934   4.8384   61.694   4.6582 2.239681 6.716341 
1 1 1    4   33   -1 o  113.941   1.9854  3760.96  130.188  3850.80  178.053  3657.75  190.837  115.412   2.6712  112.469   2.9380 2.943520 3.970779 
1 1 1    4   34   -1 o  152.793   1.7482  6737.40  154.062  6540.94  211.351  6960.13  225.045  150.423   2.4328  155.163   2.5113 -4.739868 3.496430 
1 1 1    4   35   -1 o  192.287   1.5018 10676.76  159.423 10718.81  268.526 10653.88  198.117  192.555   2.4146  192.019   1.7865 0.5359497 3.003617 
1 1 1    4   36   -1 o  236.124   1.6559 16187.50  211.008 15920.92  370.302 16315.68  256.774  234.632   2.7326  237.616   1.8711 -2.983521 3.311836 
1 1 1    4   37   -1 o  123.020   2.1888  4375.18  153.066  4358.22  199.376  4399.54  238.874  122.751   2.8123  123.289   3.3547 -0.5383682 4.377578 
1 1 1    4   38   -1 o  161.296   1.8437  7518.48  171.754   0.0000   0.0000  7518.48  171.754  ?   ?   161.296   1.8437      ?      ? 
1 1 1    4   39   -1 o  170.780   1.9673  8442.40  193.920  8577.60  270.826  8300.15  277.796  172.191   2.7233  169.370   2.8399 2.821213 3.934649 
1 1 1    4   40   -1 o  242.995   1.7104 17128.74  227.106 16925.17  389.321 17233.74  279.608  241.832   2.7875  244.158   1.9829 -2.326324 3.420769 
1 1 1    4   41   -1 o  123.838   1.8578  4419.51  123.406  4387.25  148.820  4490.52  220.798  123.170   2.0920  124.507   3.0706 -1.337036 3.715501 
1 1 1    4   42   -1 o   71.294   2.6593  1448.16  106.252  1589.20  175.986  1367.26  133.287   73.933   4.1215   68.654   3.3615 5.278671 5.318503 
1 1 1    4   43   -1 o   99.275   2.3792  2854.02  136.411  2854.02  136.411   0.0000   0.0000   99.275   2.3792  ?   ?       ?      ? 
1 1 1    4   44   -1 o   84.954   3.1077  2139.06  144.748  2208.85  180.258  2012.36  242.878   87.105   3.5832   82.804   5.0787 4.301476 6.215497 
1 1 1    4   45   -1 o   86.986   3.2584  2203.84  163.697   0.0000   0.0000  2203.84  163.697  ?   ?    86.986   3.2584      ?      ? 
1 1 1    4   46   -1 o   71.251   4.0560  1549.95  162.433  1717.19  214.875  1326.95  248.128   76.163   4.8849   66.339   6.4763 9.824356 8.111984 
1 1 1    4   47   -1 o   38.329   6.7125  489.219  151.032  645.209  219.625  349.268  208.028   44.357   8.8827   32.301   10.066 12.05673 13.42504 
1 1 1    4   48   -1 o   71.782   3.3386  1579.45  131.754  1409.82  215.576  1680.59  166.462   68.189   5.4739   75.374   3.8239 -7.184784 6.677284 
1 1 1    4   49   -1 f   99.340   3.1072  3028.69  172.518  3339.31  225.714  2592.29  267.538  106.151   3.6817   92.529   5.0064 13.62300 6.214398 
1 1 1    4   50   -1 o   70.896   6.1922  1571.12  253.543   0.0000   0.0000  1571.12  253.543  ?   ?    70.896   6.1922      ?      ? 
1 1 1    4   51   -1 o   34.202   9.5591  428.582  196.143  428.582  196.143   0.0000   0.0000   34.202   9.5591  ?   ?       ?      ? 
1 1 1    4   52   -1 o   21.270   9.2743   68.298  214.345   0.0000   0.0000   68.298  214.345  ?   ?    21.270   9.2743      ?      ? 
1 1 1    4    0   -2 o  106.000   1.1267  3238.99   66.258  3218.39   82.816  3275.63  110.443  105.543   1.3591  106.457   1.7974 -0.000000 0.000000 
1 1 1    4    1   -2 o  205.827   1.2178 12280.83  115.840 12311.76  129.605 12157.97  258.296  206.479   1.0868  205.175   2.1798 1.303528 2.435678 
1 1 1    4    2   -2 o   90.126   1.4445  2345.72   75.187  2345.72   75.187   0.0000   0.0000   90.126   1.4445  ?   ?       ?      ? 
1 1 1    4    3   -2 o  116.179   1.0472  3897.81   70.267   0.0000   0.0000  3897.81   70.267  ?   ?   116.179   1.0472      ?      ? 
1 1 1    4    4   -2 o  207.179   1.0492 12395.36  125.547   0.0000   0.0000 12395.36  125.547  ?   ?   207.179   1.0492      ?      ? 
1 1 1    4    5   -2 o  277.429   0.9893 22235.40  156.901 22286.24  207.764 22167.92  239.357  277.799   1.2950  277.058   1.4959 0.7406006 1.978506 
1 1 1    4    6   -2 o  183.967   1.1559  9773.60  105.434  9773.27  121.226  9774.61  213.634  183.965   1.1410  183.970   2.0107 -0.5386353E-02 2.311833 
1 1 1    4    7   -2 o  198.088   1.0981 11334.23  125.587 11435.39  175.800 11228.81  179.472  198.991   1.5297  197.185   1.5759 1.806046 2.196241 
1 1 1    4    8   -2 o  585.001   2.2567 98851.16  746.839 98834.09  963.546 98876.84  1181.99  584.956   2.8521  585.046   3.4982 -0.9069824E-01 4.513489 
1 1 1    4    9   -2 o   78.511   1.3912  1787.90   57.477  1799.03   68.512  1761.47  105.611   78.927   1.5030   78.095   2.3415 0.8319397 2.782392 
1 1 1    4   10   -2 o  681.609   2.2203 134379.50  865.381 135512.70  1148.51 132891.09  1316.23  684.952   2.9033  678.266   3.3601 6.685364 4.440608 
1 1 1    4   11   -2 o   51.167   1.2581  763.402   36.725  699.999   55.026  814.329   49.316   49.232   1.9352   53.102   1.6080 -3.869343 2.516134 
1 1 1    4   12   -2 o  837.714   2.8791 202750.30  1392.82 201140.70  1979.15 204329.59  1960.46  834.417   4.1069  841.012   4.0362 -6.594482 5.758226 
1 1 1    4   13   -2 o  178.992   1.2800  9226.01  123.309  9180.05  149.200  9325.07  219.028  178.293   1.4489  179.691   2.1105 -1.398148 2.560009 
1 1 1    4   14   -2 o  452.533   1.8283 58971.30  468.594 58277.39  604.323 60017.59  742.071  449.210   2.3293  455.856   2.8186 -6.646301 3.656546 
1 1 1    4   15   -2 o  520.834   1.8509 78344.60  556.742 78214.17  789.302 78473.75  785.416  520.402   2.6261  521.266   2.6089 -0.8632813 3.701746 
1 1 1    4   16   -2 o  129.076   0.9386  4821.81   69.006  4876.55   90.664  4746.44  106.390  129.949   1.2080  128.203   1.4369 1.745880 1.877214 
1 1 1    4   17   -2 o  410.339   2.1000 48827.41  433.006 48228.16  857.268 49032.66  501.710  408.627   3.6325  412.050   2.1082 -3.422516 4.199949 
1 1 1    4   18   -2 o  362.908   1.9875 37993.00  393.103 38169.09  680.388 37904.77  481.623  363.531   3.2406  362.285   2.3018 1.245697 3.974930 
1 1 1    4   19   -2 o  614.560   2.9898 108708.60  926.070 109895.10  1835.66 108303.50  1072.56  616.756   5.1534  612.364   3.0327 4.392273 5.979512 
1 1 1    4   20   -2 o  277.295   1.6804 22284.13  254.874 21964.45  435.822 22450.29  314.206  275.773   2.7364  278.816   1.9512 -3.042877 3.360801 
1 1 1    4   21   -2 o  479.288   2.4799 66344.34  686.457   0.0000   0.0000 66344.34  686.457  ?   ?   479.288   2.4799      ?      ? 
1 1 1    4   22   -2 o  260.501   1.9516 19598.16  293.620   0.0000   0.0000 19598.16  293.620  ?   ?   260.501   1.9516      ?      ? 
1 1 1    4   23   -2 o   44.432   3.1037  570.236   79.646   0.0000   0.0000  570.236   79.646  ?   ?    44.432   3.1037      ?      ? 
1 1 1    4   24   -2 o  276.312   1.9781 22050.09  315.671   0.0000   0.0000 22050.09  315.671  ?   ?   276.312   1.9781      ?      ? 
1 1 1    4   25   -2 o  363.522   2.4119 38146.23  506.077 37311.03  701.051 39055.09  731.309  359.372   3.3777  367.672   3.4439 -8.300079 4.823845 
1 1 1    4   26   -2 o  145.268   1.9345  6094.49  162.283  6190.33  231.889  6002.49  227.190  146.387   2.7428  144.149   2.7289 2.237885 3.869095 
1 1 1    4   27   -2 o  530.923   3.4073 81452.55  1044.79   0.0000   0.0000 81452.55  1044.79  ?   ?   530.923   3.4073      ?      ? 
1 1 1    4   28   -2 o  417.462   2.5832 50372.32  622.795 50429.71  876.830 50313.91  884.755  417.704   3.6346  417.221   3.6717 0.4837646 5.166454 
1 1 1    4   29   -2 o  308.615   2.1910 27514.48  390.516   0.0000   0.0000 27514.48  390.516  ?   ?   308.615   2.1910      ?      ? 
1 1 1    4   30   -2 o  342.760   2.2188 33971.37  439.046 34515.37  615.480 33407.77  626.476  345.561   3.0839  339.960   3.1907 5.600983 4.437504 
1 1 1    4   31   -2 o  266.124   1.6731 20378.49  245.086 20749.23  416.874 20182.66  302.978  267.940   2.6939  264.308   1.9848 3.631897 3.346117 
1 1 1    4   32   -2 o   91.156   2.3757  2411.23  124.656  2255.75  179.702  2555.44  173.064   88.307   3.5235   94.005   3.1877 -5.697754 4.751449 
1 1 1    4   33   -2 o  310.360   2.0748 27849.34  371.857 27591.99  520.805 28116.97  531.116  308.900   2.9193  311.820   2.9492 -2.920502 4.149660 
1 1 1    4   34   -2 o  104.500   2.1525  3156.06  129.908  3156.06  129.908   0.0000   0.0000  104.500   2.1525  ?   ?       ?      ? 
1 1 1    4   35   -2 o  181.643   1.8774  9542.88  196.903  9721.35  277.353  9361.52  279.586  183.359   2.6191  179.927   2.6905 3.431976 3.754774 
1 1 1    4   36   -2 o   60.051   3.0373  1037.56   99.070  1023.14  120.654  1067.41  173.571   59.451   3.5139   60.651   4.9551 -1.200085 6.074579 
1 1 1    4   37   -2 o   69.734   3.0928  1406.99  124.559   0.0000   0.0000  1406.99  124.559  ?   ?    69.734   3.0928      ?      ? 
1 1 1    4   38   -2 o  138.864   1.7317  5639.76  128.766  5750.76  156.124  5403.64  227.714  141.061   1.9164  136.667   2.8850 4.393997 3.463446 
1 1 1    4   39   -2 o  120.437   1.8464  4133.23  119.204  4032.00  143.092  4362.79  215.484  118.099   2.0979  122.774   3.0389 -4.675568 3.692735 
1 1 1    4   40   -2 o   90.230   2.4968  2355.18  130.115  2355.18  130.115   0.0000   0.0000   90.230   2.4968  ?   ?       ?      ? 
1 1 1    4   41   -2 o   85.847   3.1167  2161.45  148.543  2215.79  187.311  2069.36  243.840   87.395   3.7110   84.299   5.0084 3.096069 6.233420 
1 1 1    4   42   -2 o   68.631   3.3303  1380.22  105.047  1385.42  117.418  1359.39  235.122   69.144   2.9403   68.119   5.9764 1.024605 6.660548 
1 1 1    4   43   -2 o   24.198   8.8740  145.362  162.344   0.0000   0.0000  145.362  162.344  ?   ?    24.198   8.8740      ?      ? 
1 1 1    4   44   -2 o  170.733   1.9394  8427.08  183.194  8350.08  227.924  8567.60  307.907  169.751   2.3248  171.715   3.1048 -1.963516 3.878705 
1 1 1    4   45   -2 o   86.501   3.4311  2195.21  166.861  2235.46  269.582  2170.21  212.448   86.958   5.3678   86.045   4.2751 0.9126053 6.862170 
1 1 1    4   46   -2 o   45.045   5.6805  603.434  141.600  812.734  231.506  478.328  178.985   51.408   7.7974   38.681   8.2628 12.72659 11.36101 
1 1 1    4   47   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   -2 o  102.612   4.0886  3126.09  242.305  3126.09  242.305   0.0000   0.0000  102.612   4.0886  ?   ?       ?      ? 
1 1 1    4   49   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    0   -3 o  107.372   1.2352  3369.20   71.220  3436.14   86.612  3229.44  125.150  109.056   1.3756  105.688   2.0520 -0.000000 0.000000 
1 1 1    4    1   -3 o  224.870   1.0160 14650.58  129.166 14841.45  167.026 14366.60  203.729  226.700   1.2757  223.041   1.5816 3.658722 2.031925 
1 1 1    4    2   -3 o  101.808   0.8382  2988.78   48.351  2970.76   62.488  3015.67   76.326  101.426   1.0668  102.189   1.2932 -0.7629929 1.676437 
1 1 1    4    3   -3 o  219.972   1.1313 13974.55  143.714 14061.64  202.742 13886.60  203.745  220.661   1.5909  219.283   1.6088 1.377914 2.262526 
1 1 1    4    4   -3 o  360.240   1.3927 37432.89  273.983 37338.21  336.340 37619.67  472.368  359.570   1.6196  360.910   2.2662 -1.339905 2.785455 
1 1 1    4    5   -3 o  286.474   1.6609 23479.94  234.362 24129.35  482.683 23279.62  268.083  289.030   2.8916  283.918   1.6349 5.111786 3.321757 
1 1 1    4    6   -3 o  158.469   0.8612  7258.28   77.553  7286.96  101.123  7217.32  120.846  158.850   1.1022  158.088   1.3236 0.7621307 1.722440 
1 1 1    4    7   -3 f  736.878   2.3928 156945.41  1006.21 156253.09  1545.27 157455.00  1325.79  735.447   3.6381  738.309   3.1092 -2.862122 4.785673 
1 1 1    4    8   -3 o  157.456   1.1057  7153.61   85.206  7148.07   97.370  7171.74  176.051  157.329   1.0716  157.583   1.9344 -0.2542419 2.211372 
1 1 1    4    9   -3 o  531.723   2.1177 81660.95  639.271 81639.34  830.967 81692.27  1000.62  531.650   2.7063  531.796   3.2579 -0.1466675 4.235314 
1 1 1    4   10   -3 o   77.386   1.0016  1734.90   44.413  1776.09   59.597  1683.44   66.606   78.423   1.3158   76.350   1.5105 2.073288 2.003243 
1 1 1    4   11   -3 o  296.797   1.2618 25449.45  211.051 25394.22  337.507 25484.90  270.452  296.529   1.9707  297.064   1.5764 -0.5343628 2.523630 
1 1 1    4   12   -3 o  163.575   0.9388  7728.85   87.184  7716.44  136.383  7737.43  113.375  163.463   1.4446  163.687   1.1993 -0.2234192 1.877551 
1 1 1    4   13   -3 o  279.173   1.3396 22514.36  215.924 22840.80  303.013 22177.58  307.768  281.230   1.8656  277.117   1.9230 4.113708 2.679228 
1 1 1    4   14   -3 o  254.453   1.1531 18693.13  166.313 18722.62  261.704 18673.16  215.402  254.620   1.7796  254.286   1.4667 0.3341064 2.306156 
1 1 1    4   15   -3 o  482.527   1.8201 67188.06  479.727 67411.57  826.358 67074.45  589.172  483.123   2.9616  481.931   2.1168 1.192078 3.640294 
1 1 1    4   16   -3 o  549.251   2.1814 87247.51  679.011 86509.24  1066.38 87750.96  880.604  547.286   3.3737  551.216   2.7661 -3.930176 4.362759 
1 1 1    4   17   -3 o  664.813   2.5715 127717.10  968.361 127350.30  1525.38 127964.70  1253.30  664.000   3.9776  665.627   3.2602 -1.627075 5.142970 
1 1 1    4   18   -3 o  225.504   1.3780 14656.69  155.878 14743.72  310.838 14627.45  180.170  225.947   2.3820  225.061   1.3861 0.8858948 2.755951 
1 1 1    4   19   -3 o  455.606   2.3348 59525.27  539.097 60847.31  1062.57 59067.01  625.591  458.968   4.0086  452.245   2.3951 6.723816 4.669634 
1 1 1    4   20   -3 o  569.644   2.7532 93929.76  732.735 93396.00  1611.77 94068.80  822.661  568.573   4.9083  570.715   2.4958 -2.141663 5.506422 
1 1 1    4   21   -3 o  756.999   3.5435 165134.20  1251.56 166309.09  2766.64 164831.91  1403.37  758.567   6.3150  755.431   3.2166 3.135986 7.087002 
1 1 1    4   22   -3 o  532.917   2.6994 82026.29  830.836   0.0000   0.0000 82026.29  830.836  ?   ?   532.917   2.6994      ?      ? 
1 1 1    4   23   -3 o  171.822   1.6852  8526.09  167.227   0.0000   0.0000  8526.09  167.227  ?   ?   171.822   1.6852      ?      ? 
1 1 1    4   24   -3 o  259.031   1.7159 19302.24  245.578 19643.69  414.287 19117.26  304.926  260.783   2.7507  257.279   2.0521 3.503540 3.431822 
1 1 1    4   25   -3 o  149.440   1.8165  6446.90  156.723  6208.54  218.946  6697.37  224.436  146.608   2.5858  152.271   2.5521 -5.662811 3.633088 
1 1 1    4   26   -3 o  243.996   1.8296 17197.64  257.700 17206.63  359.056 17188.10  370.078  244.063   2.5473  243.929   2.6269 0.1339111 3.659131 
1 1 1    4   27   -3 o  156.425   1.6794  7068.31  151.700  7207.10  215.004  6930.71  214.072  157.955   2.3568  154.895   2.3930 3.059174 3.358712 
1 1 1    4   28   -3 o  170.648   1.6192  8410.79  159.587   0.0000   0.0000  8410.79  159.587  ?   ?   170.648   1.6192      ?      ? 
1 1 1    4   29   -3 o  197.964   1.6702 11322.88  190.907 11296.45  273.128 11348.13  266.945  197.737   2.3916  198.191   2.3321 -0.4541168 3.340457 
1 1 1    4   30   -3 o  170.298   1.3860  8376.39  136.315   0.0000   0.0000  8376.39  136.315  ?   ?   170.298   1.3860      ?      ? 
1 1 1    4   31   -3 o  371.663   2.3652 39936.43  507.662 39378.48  712.635 40511.32  723.370  369.028   3.3437  374.298   3.3462 -5.270081 4.730477 
1 1 1    4   32   -3 o   49.782   4.0713  727.942  115.561  827.523  159.549  618.052  167.604   53.431   5.1703   46.134   6.2904 7.296780 8.142551 
1 1 1    4   33   -3 o  166.375   1.7035  8053.65  162.082  8442.88  217.825  7570.81  242.608  170.921   2.2066  161.829   2.5958 9.092407 3.406929 
1 1 1    4   34   -3 o  206.516   1.8801 12323.62  224.246   0.0000   0.0000 12323.62  224.246  ?   ?   206.516   1.8801      ?      ? 
1 1 1    4   35   -3 o  204.062   1.7569 12029.43  206.959 11733.18  287.335 12348.82  298.344  201.454   2.4696  206.669   2.4995 -5.214706 3.513761 
1 1 1    4   36   -3 f  142.259   1.8766  5873.76  153.526  6153.56  210.905  5558.37  223.917  145.887   2.5031  138.631   2.7967 7.255936 3.753266 
1 1 1    4   37   -3 o  165.973   2.0089  7932.79  187.942  7809.53  239.960  8128.40  302.283  164.342   2.5282  167.605   3.1228 -3.263397 4.017883 
1 1 1    4   38   -3 o  128.041   2.5776  4741.33  190.611   0.0000   0.0000  4741.33  190.611  ?   ?   128.041   2.5776      ?      ? 
1 1 1    4   39   -3 o  116.294   2.1409  3909.96  143.796  3909.96  143.796   0.0000   0.0000  116.294   2.1409  ?   ?       ?      ? 
1 1 1    4   40   -3 o  139.097   2.5862  5597.94  207.764   0.0000   0.0000  5597.94  207.764  ?   ?   139.097   2.5862      ?      ? 
1 1 1    4   41   -3 o  123.658   2.7182  4426.81  194.126   0.0000   0.0000  4426.81  194.126  ?   ?   123.658   2.7182      ?      ? 
1 1 1    4   42   -3 o  130.455   2.7326  4929.69  205.884   0.0000   0.0000  4929.69  205.884  ?   ?   130.455   2.7326      ?      ? 
1 1 1    4   43   -3 o   91.666   2.2211  2432.69  117.588  2432.69  117.588   0.0000   0.0000   91.666   2.2211  ?   ?       ?      ? 
1 1 1    4   44   -3 o   27.041   10.047  185.225  209.274  185.225  209.274   0.0000   0.0000   27.041   10.047  ?   ?       ?      ? 
1 1 1    4   45   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   46   -3 o   49.721   7.7118  760.298  221.451  760.298  221.451   0.0000   0.0000   49.721   7.7118  ?   ?       ?      ? 
1 1 1    4   47   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50   -3 o   76.950   5.4290  1820.08  241.275   0.0000   0.0000  1820.08  241.275  ?   ?    76.950   5.4290      ?      ? 
1 1 1    4   51   -3 o   54.573   4.8720  910.903  153.559   0.0000   0.0000  910.903  153.559  ?   ?    54.573   4.8720      ?      ? 
1 1 1    4   52   -3 o   23.589   8.7065  186.985  156.646   0.0000   0.0000  186.985  156.646  ?   ?    23.589   8.7065      ?      ? 
1 1 1    4    0   -4 o  330.449   1.8129 31456.98  326.620 31286.41  400.083 31797.83  565.563  329.125   2.1050  331.775   2.9521 -0.000000 0.000000 
1 1 1    4    1   -4 o  274.516   1.2007 21802.38  186.507 21566.31  294.112 21961.15  241.209  273.268   1.8635  275.763   1.5145 -2.494781 2.401354 
1 1 1    4    2   -4 o  527.249   2.3030 80302.77  701.242 80598.88  987.795 80001.89  995.662  528.230   3.2379  526.268   3.2758 1.961731 4.605948 
1 1 1    4    3   -4 o   96.218   0.8687  2674.77   47.752  2665.01   73.045  2682.06   63.103   96.064   1.3166   96.372   1.1337 -0.3075638 1.737452 
1 1 1    4    4   -4 o  593.934   3.0325 101582.80  894.437 101260.90  1028.42 102582.40  1812.28  592.089   3.0074  595.780   5.2669 -3.690918 6.065061 
1 1 1    4    5   -4 o  135.906   0.7847  5334.78   61.561  5305.89   88.348  5362.05   85.827  135.548   1.1285  136.264   1.0906 -0.7156525 1.569387 
1 1 1    4    6   -4 o  366.816   1.6308 38858.20  345.467 38495.13  485.770 39229.75  491.407  365.082   2.3039  368.549   2.3087 -3.466949 3.261541 
1 1 1    4    7   -4 o  179.666   1.2407  9398.37  110.851  9473.00  127.898  9173.04  222.237  181.116   1.2227  178.217   2.1592 2.899002 2.481318 
1 1 1    4    8   -4 o  542.425   2.7133 84803.59  729.764 84616.85  838.660 85385.88  1480.92  541.258   2.6828  543.592   4.7171 -2.333191 5.426650 
1 1 1    4    9   -4 o   71.856   1.1362  1482.68   46.017  1529.28   74.145  1453.48   58.687   72.769   1.7642   70.944   1.4323 1.825356 2.272437 
1 1 1    4   10   -4 o  461.619   1.7547 61470.76  446.167 61792.18  755.463 61298.60  552.888  462.533   2.8280  460.705   2.0779 1.828339 3.509355 
1 1 1    4   11   -4 o  455.022   1.6550 59475.00  397.264 60586.05  732.906 59012.76  472.735  458.002   2.7707  452.041   1.8107 5.961395 3.309946 
1 1 1    4   12   -4 o  567.311   2.8810 93323.53  824.852 92253.00  1622.64 93696.56  957.842  565.057   4.9721  569.565   2.9118 -4.507446 5.762029 
1 1 1    4   13   -4 o  606.745   2.2573 106404.80  750.195 106094.70  1282.85 106566.00  924.811  606.053   3.6651  607.437   2.6361 -1.384277 4.514626 
1 1 1    4   14   -4 o  413.217   1.8411 49321.70  439.219 49651.38  614.129 48976.52  628.417  414.632   2.5646  411.803   2.6422 2.828918 3.682173 
1 1 1    4   15   -4 o   89.023   1.3180  2246.75   59.839  2378.04  117.773  2201.06   69.475   90.743   2.2472   87.304   1.3779 3.439575 2.636009 
1 1 1    4   16   -4 o  143.993   1.3501  5931.66  104.257  5839.23  125.440  6138.12  187.487  142.198   1.5274  145.788   2.2267 -3.590805 2.700229 
1 1 1    4   17   -4 o  787.016   2.8855 178794.59  1245.57 179283.91  2126.89 178539.09  1536.64  787.803   4.6746  786.230   3.3841 1.573120 5.770916 
1 1 1    4   18   -4 o  332.210   1.4077 31922.33  265.263 31602.32  415.256 32142.94  344.777  330.800   2.1735  333.621   1.7894 -2.821655 2.815326 
1 1 1    4   19   -4 o  537.684   2.0190 83563.62  593.172 83291.91  1019.35 83702.73  729.383  537.010   3.2867  538.358   2.3458 -1.348083 4.037975 
1 1 1    4   20   -4 o  442.410   2.3272 56529.64  560.961 56523.81  687.442 56541.23  970.464  442.392   2.6906  442.428   3.7980 -0.3674316E-01 4.654428 
1 1 1    4   21   -4 o  344.509   2.1616 34280.12  430.084 34245.50  605.649 34315.35  610.847  344.333   3.0455  344.684   3.0685 -0.3504639 4.323270 
1 1 1    4   22   -4 o  824.216   4.9386 196294.30  2350.90   0.0000   0.0000 196294.30  2350.90  ?   ?   824.216   4.9386      ?      ? 
1 1 1    4   23   -4 o  107.919   1.8315  3359.77  111.602  3383.25  177.901  3344.54  143.307  108.227   2.8461  107.611   2.3058 0.6164017 3.662965 
1 1 1    4   24   -4 o  634.323   3.2977 116203.80  1132.60 116500.90  1984.71 116060.40  1379.22  634.840   5.4131  633.806   3.7678 1.033813 6.595332 
1 1 1    4   25   -4 o  297.664   1.7815 25554.57  290.449 25471.96  357.614 25714.68  497.857  296.971   2.0850  298.357   2.8892 -1.386444 3.563016 
1 1 1    4   26   -4 o  390.487   2.5456 44046.42  574.082 44046.42  574.082   0.0000   0.0000  390.487   2.5456  ?   ?       ?      ? 
1 1 1    4   27   -4 o  460.740   2.5690 61104.98  653.185 62177.09  1104.80 60528.84  809.894  463.781   4.1246  457.698   3.0638 6.082275 5.138057 
1 1 1    4   28   -4 o  354.875   2.3429 36381.39  480.194   0.0000   0.0000 36381.39  480.194  ?   ?   354.875   2.3429      ?      ? 
1 1 1    4   29   -4 o  322.224   2.2717 30009.37  422.745 29929.56  595.903 30090.25  599.819  321.793   3.2064  322.654   3.2188 -0.8615723 4.543310 
1 1 1    4   30   -4 o  385.684   2.4643 42987.59  548.191 42585.64  754.479 43437.09  797.855  383.787   3.4039  387.582   3.5643 -3.794983 4.928546 
1 1 1    4   31   -4 o  184.784   1.6753  9867.01  178.784  9867.94  253.722  9866.10  251.964  184.792   2.3773  184.776   2.3611 0.1631165E-01 3.350571 
1 1 1    4   32   -4 o  260.024   2.0234 19536.24  303.866   0.0000   0.0000 19536.24  303.866  ?   ?   260.024   2.0234      ?      ? 
1 1 1    4   33   -4 o   88.210   2.0005  2259.05  100.005  2201.33  156.320  2299.05  130.116   87.240   3.1025   89.180   2.5263 -1.939201 4.000937 
1 1 1    4   34   -4 o  213.778   1.9062 13185.63  230.685 13070.10  297.421 13360.09  365.467  212.632   2.4219  214.923   2.9443 -2.290939 3.812409 
1 1 1    4   35   -4 f  251.224   1.6894 18310.87  238.479 17958.55  382.688 18534.55  304.926  249.208   2.6589  253.239   2.0849 -4.031433 3.378796 
1 1 1    4   36   -4 o   22.350   6.5986   19.209  134.381 -16.7891  163.520   94.095  235.848   18.949   8.1817   25.751   10.355 -6.801632 13.19722 
1 1 1    4   37   -4 o  311.139   2.2452 27984.85  403.448   0.0000   0.0000 27984.85  403.448  ?   ?   311.139   2.2452      ?      ? 
1 1 1    4   38   -4 f   76.762   4.0773  1708.00  180.762   0.0000   0.0000  1708.00  180.762  ?   ?    76.762   4.0773      ?      ? 
1 1 1    4   39   -4 o  133.703   2.6059  5171.21  201.224   0.0000   0.0000  5171.21  201.224  ?   ?   133.703   2.6059      ?      ? 
1 1 1    4   40   -4 o  135.923   2.5025  5344.95  196.453  5344.95  196.453   0.0000   0.0000  135.923   2.5025  ?   ?       ?      ? 
1 1 1    4   41   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   42   -4 o   87.427   3.3028  2217.50  166.767  2217.50  166.767   0.0000   0.0000   87.427   3.3028  ?   ?       ?      ? 
1 1 1    4   43   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   44   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   45   -4 o  108.079   3.5112  3409.50  219.170  3409.50  219.170   0.0000   0.0000  108.079   3.5112  ?   ?       ?      ? 
1 1 1    4   46   -4 o   83.158   3.4435  2023.75  165.381   0.0000   0.0000  2023.75  165.381  ?   ?    83.158   3.4435      ?      ? 
1 1 1    4   47   -4 o   87.600   3.0899  2246.45  156.325   0.0000   0.0000  2246.45  156.325  ?   ?    87.600   3.0899      ?      ? 
1 1 1    4   48   -4 o   61.677   4.2049  1132.38  149.783   0.0000   0.0000  1132.38  149.783  ?   ?    61.677   4.2049      ?      ? 
1 1 1    4   49   -4 o   70.627   3.7348  1480.50  152.342   0.0000   0.0000  1480.50  152.342  ?   ?    70.627   3.7348      ?      ? 
1 1 1    4   50   -4 o   48.089   5.7039  715.940  158.417   0.0000   0.0000  715.940  158.417  ?   ?    48.089   5.7039      ?      ? 
1 1 1    4   51   -4 o   72.326   3.8831  1568.32  162.202   0.0000   0.0000  1568.32  162.202  ?   ?    72.326   3.8831      ?      ? 
1 1 1    4   52   -4 o   49.210   8.8706  873.532  242.838   0.0000   0.0000  873.532  242.838  ?   ?    49.210   8.8706      ?      ? 
1 1 1    4    0   -5 o  207.429   1.5740 12427.54  188.539 12427.54  188.539   0.0000   0.0000  207.429   1.5740  207.429   1.5740 -0.000000 0.000000 
1 1 1    4    1   -5 o  518.054   1.8774 77516.04  561.717 77451.50  792.010 77581.36  796.787  517.838   2.6482  518.271   2.6620 -0.4334717 3.754863 
1 1 1    4    2   -5 o  108.035   1.1995  3402.61   71.339  3263.41  119.477  3479.73   88.933  106.300   1.9461  109.770   1.4028 -3.469360 2.398983 
1 1 1    4    3   -5 o  130.199   0.9785  4895.36   73.571  4903.14  104.786  4887.79  103.319  130.301   1.3924  130.097   1.3751 0.2040405 1.956967 
1 1 1    4    4   -5 o  339.152   1.2849 33217.89  251.668 33110.24  354.074 33327.80  357.778  338.597   1.8106  339.707   1.8236 -1.110382 2.569779 
1 1 1    4    5   -5 o  576.323   2.8728 96113.82  822.590 96260.04  947.125 95664.90  1659.56  577.289   2.8407  575.357   4.9943 1.931946 5.745638 
1 1 1    4    6   -5 o  324.127   1.2058 30340.07  225.708 30296.47  317.180 30384.80  321.257  323.892   1.6956  324.363   1.7149 -0.4715271 2.411610 
1 1 1    4    7   -5 o  809.010   3.0802 188910.41  1412.73 190130.41  2224.53 188085.80  1828.89  811.154   4.7484  806.866   3.9246 4.288208 6.160397 
1 1 1    4    8   -5 o  149.084   0.9154  6434.02   76.450  6482.73   97.146  6354.78  123.906  149.828   1.1227  148.340   1.4463 1.487656 1.830853 
1 1 1    4    9   -5 o  399.408   1.4397 46065.46  332.071 45607.71  465.693 46538.98  473.647  397.390   2.0291  401.427   2.0430 -4.036377 2.879392 
1 1 1    4   10   -5 o  327.097   1.7833 30887.97  318.245 30942.20  549.252 30860.56  390.468  327.304   2.9056  326.889   2.0682 0.4147339 3.566521 
1 1 1    4   11   -5 o  957.223   3.2736 264724.31  1809.17 264678.50  2526.53 264772.59  2591.81  957.144   4.5705  957.302   4.6878 -0.1583252 6.547127 
1 1 1    4   12   -5 o  677.753   2.5222 132856.59  934.837 132140.00  1602.90 133226.09  1150.83  676.337   4.1035  679.169   2.9339 -2.832153 5.044484 
1 1 1    4   13   -5 o  552.183   2.1582 88031.77  675.587 88230.38  1062.91 87897.16  875.093  552.696   3.3299  551.670   2.7466 1.026550 4.316425 
1 1 1    4   14   -5 o  280.556   1.5318 22764.96  217.506 22661.92  426.786 22801.11  252.799  280.121   2.6380  280.990   1.5578 -0.8697205 3.063627 
1 1 1    4   15   -5 o  260.607   1.1848 19667.94  174.838 19330.64  274.648 19897.75  226.708  258.722   1.8381  262.492   1.4954 -3.770050 2.369546 
1 1 1    4   16   -5 o  395.998   2.0186 45375.12  406.019 45109.36  792.019 45469.86  472.883  395.198   3.4701  396.798   2.0635 -1.600311 4.037224 
1 1 1    4   17   -5 o   95.879   1.4318  2654.73   79.283   0.0000   0.0000  2654.73   79.283  ?   ?    95.879   1.4318      ?      ? 
1 1 1    4   18   -5 o  207.778   1.3170 12428.10  139.678 12551.88  271.441 12383.52  162.900  208.477   2.2544  207.080   1.3621 1.397247 2.633931 
1 1 1    4   19   -5 o  425.378   1.6566 52241.98  385.751 52306.39  661.178 52208.74  474.966  425.570   2.6901  425.186   1.9342 0.3836060 3.313236 
1 1 1    4   20   -5 o  543.600   2.6923 85316.94  741.685 85443.45  1454.52 85272.48  862.201  543.833   4.6309  543.367   2.7475 0.4662476 5.384622 
1 1 1    4   21   -5 o  302.359   1.7148 26475.70  285.906 26648.44  355.567 26159.71  480.907  303.765   2.0267  300.954   2.7668 2.810913 3.429695 
1 1 1    4   22   -5 o  648.913   4.1883 121655.50  1569.69   0.0000   0.0000 121655.50  1569.69  ?   ?   648.913   4.1883      ?      ? 
1 1 1    4   23   -5 o  461.800   2.7691 61598.04  738.556   0.0000   0.0000 61598.04  738.556  ?   ?   461.800   2.7691      ?      ? 
1 1 1    4   24   -5 o  148.415   1.5970  6311.33  127.540  6500.99  227.673  6224.59  153.965  150.023   2.6277  146.809   1.8159 3.214066 3.194057 
1 1 1    4   25   -5 o  490.882   3.1292 69645.88  887.128 69302.30  1256.14 69987.77  1253.05  489.672   4.4417  492.091   4.4090 -2.418915 6.258380 
1 1 1    4   26   -5 o  190.753   1.7642 10509.19  194.358 10509.19  194.358   0.0000   0.0000  190.753   1.7642  ?   ?       ?      ? 
1 1 1    4   27   -5 o  183.095   1.6625  9682.42  175.803   0.0000   0.0000  9682.42  175.803  ?   ?   183.095   1.6625      ?      ? 
1 1 1    4   28   -5 o  161.141   1.6186  7503.02  145.417  7495.28  239.146  7507.57  183.172  161.067   2.5708  161.216   1.9673 -0.1490326 3.237177 
1 1 1    4   29   -5 o  197.633   1.5464 11264.21  166.166 11225.32  203.043 11343.09  289.147  197.132   1.7834  198.135   2.5268 -1.002136 3.092775 
1 1 1    4   30   -5 o  399.504   2.6324 46155.87  607.296 45963.57  851.276 46355.15  866.623  398.661   3.6973  400.348   3.7481 -1.686279 5.264771 
1 1 1    4   31   -5 f  204.263   1.6885 12059.33  198.855 12024.21  289.516 12090.68  273.605  203.977   2.4576  204.549   2.3160 -0.5719604 3.376921 
1 1 1    4   32   -5 o   74.318   2.3098  1622.42   92.192  1528.57  161.391  1667.88  112.321   72.674   3.8451   75.961   2.5603 -3.286461 4.619543 
1 1 1    4   33   -5 o  115.538   1.8447  3870.48  120.766  3800.62  189.271  3918.45  156.842  114.643   2.8586  116.434   2.3324 -1.790642 3.689380 
1 1 1    4   34   -5 o   67.661   2.5038  1307.68   90.537  1370.82  164.309  1280.14  108.493   68.790   4.1357   66.532   2.8235 2.257782 5.007625 
1 1 1    4   35   -5 o  183.885   1.3221  9767.75  140.405   0.0000   0.0000  9767.75  140.405  ?   ?   183.885   1.3221      ?      ? 
1 1 1    4   36   -5 o  119.126   1.9530  4101.09  134.367   0.0000   0.0000  4101.09  134.367  ?   ?   119.126   1.9530      ?      ? 
1 1 1    4   37   -5 o  176.215   1.7955  8960.11  182.539  8540.78  251.299  9428.50  265.590  171.860   2.5318  180.570   2.5467 -8.709259 3.591080 
1 1 1    4   38   -5 o   37.483   5.5733  426.133  116.785  444.659  168.174  408.879  162.299   38.287   7.8685   36.680   7.8951 1.606945 11.14654 
1 1 1    4   39   -5 o  133.503   2.6741  5156.46  206.185  5156.46  206.185   0.0000   0.0000  133.503   2.6741  ?   ?       ?      ? 
1 1 1    4   40   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   41   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   42   -5 o   92.242   4.6737  2480.88  248.984   0.0000   0.0000  2480.88  248.984  ?   ?    92.242   4.6737      ?      ? 
1 1 1    4   43   -5 o   50.765   4.9556  740.967  140.795  675.201  175.437  859.973  235.997   47.819   6.3523   53.710   7.6079 -5.891361 9.911203 
1 1 1    4   44   -5 o  132.856   2.5659  5120.92  196.883   0.0000   0.0000  5120.92  196.883  ?   ?   132.856   2.5659      ?      ? 
1 1 1    4   45   -5 o   49.995   5.7720  743.764  166.665   0.0000   0.0000  743.764  166.665  ?   ?    49.995   5.7720      ?      ? 
1 1 1    4   46   -5 o  113.959   2.6390  3781.04  173.688   0.0000   0.0000  3781.04  173.688  ?   ?   113.959   2.6390      ?      ? 
1 1 1    4   47   -5 o   59.946   4.4318  1068.12  153.435   0.0000   0.0000  1068.12  153.435  ?   ?    59.946   4.4318      ?      ? 
1 1 1    4   48   -5 o  119.403   2.4867  4162.61  171.485   0.0000   0.0000  4162.61  171.485  ?   ?   119.403   2.4867      ?      ? 
1 1 1    4   49   -5 o   68.088   3.8881  1379.80  152.898   0.0000   0.0000  1379.80  152.898  ?   ?    68.088   3.8881      ?      ? 
1 1 1    4   50   -5 o   69.474   3.3930  1488.02  128.294  1538.74  159.041  1393.53  217.078   71.815   3.8345   67.133   5.5988 4.682266 6.786008 
1 1 1    4   51   -5 o   34.413   8.2250  414.190  161.248   0.0000   0.0000  414.190  161.248  ?   ?    34.413   8.2250      ?      ? 
1 1 1    4   52   -5 o   39.480   7.4029  535.160  162.598   0.0000   0.0000  535.160  162.598  ?   ?    39.480   7.4029      ?      ? 
1 1 1    4    0   -6 o  450.896   2.8586 58743.19  744.194 58345.71  1058.84 59131.19  1046.17  449.386   4.0804  452.406   4.0047 -0.000000 0.000000 
1 1 1    4    1   -6 o  247.321   1.1452 17661.39  160.271 17647.22  206.852 17682.67  253.514  247.199   1.4489  247.443   1.7739 -0.2443390 2.290439 
1 1 1    4    2   -6 o  319.806   1.6942 29536.87  312.928 29536.87  312.928   0.0000   0.0000  319.806   1.6942  ?   ?       ?      ? 
1 1 1    4    3   -6 o  103.581   1.1864  3093.96   54.554  3091.41   60.238  3105.59  128.644  103.465   1.0081  103.697   2.1480 -0.2314224 2.372807 
1 1 1    4    4   -6 o  338.387   1.5075 33070.64  294.606 33173.04  416.744 32968.36  416.528  338.911   2.1291  337.864   2.1346 1.047272 3.014906 
1 1 1    4    5   -6 o  110.538   0.9523  3528.28   59.475  3527.03   76.542  3530.18   94.486  110.514   1.1992  110.562   1.4797 -0.4795837E-01 1.904634 
1 1 1    4    6   -6 o  434.538   1.9370 54539.36  485.933 54558.47  678.104 54519.18  696.701  434.617   2.7015  434.458   2.7766 0.1591492 3.873958 
1 1 1    4    7   -6 o  122.502   1.1889  4292.83   72.000  4255.13   82.493  4413.40  147.518  121.386   1.1767  123.618   2.0662 -2.231903 2.377784 
1 1 1    4    8   -6 o  358.506   2.3315 37120.39  482.736 37120.39  482.736   0.0000   0.0000  358.506   2.3315  ?   ?       ?      ? 
1 1 1    4    9   -6 o   60.545   1.5734  1052.81   45.764  1048.15   51.843  1069.25   97.399   60.245   1.4900   60.844   2.7717 -0.5990715 3.146832 
1 1 1    4   10   -6 o  491.487   2.2080 69742.35  626.165 69130.51  865.209 70415.25  907.357  489.226   3.0621  493.747   3.1819 -4.520782 4.416031 
1 1 1    4   11   -6 o  635.256   2.5768 116427.20  919.356 115970.20  1169.75 117165.70  1486.91  633.648   3.1964  636.865   4.0425 -3.216248 5.153525 
1 1 1    4   12   -6 o  479.134   2.1835 66329.02  603.558 66840.01  836.093 65772.99  872.169  481.064   3.0093  477.204   3.1645 3.859680 4.366951 
1 1 1    4   13   -6 o  636.329   2.5040 117174.90  904.178 115749.20  1412.83 118163.80  1176.71  633.031   3.8644  639.626   3.1854 -6.595276 5.007989 
1 1 1    4   14   -6 o  599.243   3.3595 103990.40  1097.50 102954.20  1891.50 104516.40  1347.53  596.950   5.4864  601.536   3.8787 -4.585754 6.718990 
1 1 1    4   15   -6 o  296.170   1.4610 25331.97  249.784 25333.70  347.849 25330.13  358.905  296.181   2.0335  296.160   2.0983 0.2148438E-01 2.921998 
1 1 1    4   16   -6 o  433.588   1.7709 54216.41  436.109 54720.55  683.143 53869.62  566.584  435.283   2.7174  431.893   2.2714 3.390076 3.541715 
1 1 1    4   17   -6 o  418.401   1.6475 50692.75  376.532 50136.55  646.245 50978.63  463.295  416.652   2.6856  420.149   1.9093 -3.496704 3.295099 
1 1 1    4   18   -6 o  294.667   1.7123 25177.39  272.798 24787.89  477.192 25366.48  332.486  292.962   2.8203  296.373   1.9424 -3.410339 3.424504 
1 1 1    4   19   -6 o  484.036   1.9610 67723.80  537.719 67373.13  846.248 67961.26  696.375  482.977   3.0338  485.095   2.4856 -2.117828 3.921999 
1 1 1    4   20   -6 o  373.323   2.0158 40371.88  413.761 40644.32  512.892 39864.14  700.184  375.142   2.3673  371.504   3.2634 3.638397 4.031547 
1 1 1    4   21   -6 o  483.609   2.6075 67548.75  728.300   0.0000   0.0000 67548.75  728.300  ?   ?   483.609   2.6075      ?      ? 
1 1 1    4   22   -6 o  433.148   2.2365 54186.41  559.478   0.0000   0.0000 54186.41  559.478  ?   ?   433.148   2.2365      ?      ? 
1 1 1    4   23   -6 o  197.385   1.5417 11251.72  175.751   0.0000   0.0000 11251.72  175.751  ?   ?   197.385   1.5417      ?      ? 
1 1 1    4   24   -6 o  128.602   1.9262  4800.47  131.891  4717.12  237.243  4837.75  158.670  127.783   3.2147  129.421   2.1228 -1.638588 3.852312 
1 1 1    4   25   -6 o  183.902   1.6371  9840.24  161.694  9573.02  285.556  9966.36  196.173  182.042   2.7160  185.762   1.8285 -3.720108 3.274189 
1 1 1    4   26   -6 o  252.119   1.9217 18359.38  279.815 18359.38  279.815   0.0000   0.0000  252.119   1.9217  ?   ?       ?      ? 
1 1 1    4   27   -6 o  270.200   2.0232 21123.85  314.181 21405.15  425.378 20786.20  466.040  272.190   2.7059  268.210   3.0086 3.980011 4.046438 
1 1 1    4   28   -6 o   63.854   2.4977  1150.17   82.256  1241.87  159.734  1117.08   95.957   65.531   4.2205   62.178   2.6721 3.352386 4.995312 
1 1 1    4   29   -6 o  182.830   1.1874  9647.09  124.992  9757.17  184.680  9554.05  169.788  183.789   1.7399  181.870   1.6164 1.919403 2.374874 
1 1 1    4   30   -6 o  297.248   1.8369 25518.39  301.666 25591.03  507.104 25478.61  375.293  297.542   2.9510  296.955   2.1882 0.5871277 3.673769 
1 1 1    4   31   -6 o  179.820   1.6029  9362.97  156.007  9289.67  272.866  9398.56  190.151  179.274   2.6354  180.366   1.8254 -1.091766 3.205841 
1 1 1    4   32   -6 o  201.594   1.5959 11750.46  173.140 11730.58  306.605 11759.77  209.792  201.440   2.6354  201.749   1.8005 -0.3090210 3.191734 
1 1 1    4   33   -6 o  171.328   1.3443  8479.08  133.018   0.0000   0.0000  8479.08  133.018  ?   ?   171.328   1.3443      ?      ? 
1 1 1    4   34   -6 o  154.453   1.8594  6896.70  165.689  6922.66  240.187  6873.13  228.862  154.726   2.6878  154.180   2.5702 0.5455322 3.718887 
1 1 1    4   35   -6 o   27.605   4.4528   14.815  114.841  559.594  173.435 -410.5451  153.252   43.820   6.8530   11.390   5.6874 32.43021 8.905645 
1 1 1    4   36   -6 o  132.835   1.9762  5099.42  151.607  5099.42  151.607   0.0000   0.0000  132.835   1.9762  ?   ?       ?      ? 
1 1 1    4   37   -6 o  173.385   1.6343  8648.38  152.171  8575.87  183.624  8807.37  271.892  172.267   1.8456  174.503   2.6978 -2.236633 3.268697 
1 1 1    4   38   -6 o  123.846   3.0330  4438.90  216.937   0.0000   0.0000  4438.90  216.937  ?   ?   123.846   3.0330      ?      ? 
1 1 1    4   39   -6 o  219.477   2.0623 13926.22  261.409   0.0000   0.0000 13926.22  261.409  ?   ?   219.477   2.0623      ?      ? 
1 1 1    4   40   -6 o   83.914   2.7919  2045.41  135.154  1988.96  194.026  2098.62  188.373   82.776   4.0585   85.051   3.8349 -2.274887 5.583739 
1 1 1    4   41   -6 f   63.863   4.7062  1187.62  173.582   0.0000   0.0000  1187.62  173.582  ?   ?    63.863   4.7062      ?      ? 
1 1 1    4   42   -6 o   62.215   4.4301  1127.98  159.183   0.0000   0.0000  1127.98  159.183  ?   ?    62.215   4.4301      ?      ? 
1 1 1    4   43   -6 o  110.334   2.9161  3532.96  185.822   0.0000   0.0000  3532.96  185.822  ?   ?   110.334   2.9161      ?      ? 
1 1 1    4   44   -6 o   82.174   3.1970  1964.90  151.727   0.0000   0.0000  1964.90  151.727  ?   ?    82.174   3.1970      ?      ? 
1 1 1    4   45   -6 o  170.037   2.3804  8394.65  233.769   0.0000   0.0000  8394.65  233.769  ?   ?   170.037   2.3804      ?      ? 
1 1 1    4   46   -6 o   34.195   8.6070  381.934  169.859   0.0000   0.0000  381.934  169.859  ?   ?    34.195   8.6070      ?      ? 
1 1 1    4   47   -6 o   97.094   3.1684  2764.81  177.674   0.0000   0.0000  2764.81  177.674  ?   ?    97.094   3.1684      ?      ? 
1 1 1    4   48   -6 o   12.413   6.1046 -284.9195  152.925   0.0000   0.0000 -284.9195  152.925  ?   ?    12.413   6.1046      ?      ? 
1 1 1    4   49   -6 o  110.949   2.6976  3608.03  172.854   0.0000   0.0000  3608.03  172.854  ?   ?   110.949   2.6976      ?      ? 
1 1 1    4   50   -6 o   27.528   8.6747  262.852  154.012   0.0000   0.0000  262.852  154.012  ?   ?    27.528   8.6747      ?      ? 
1 1 1    4   51   -6 o   13.578   4.6170 -232.9085  114.442 -63.5989  142.676 -538.3613  191.638   15.286   7.0315   11.870   5.9853 3.416574 9.233947 
1 1 1    4   52   -6 o   59.573   4.5814  1093.14  157.628   0.0000   0.0000  1093.14  157.628  ?   ?    59.573   4.5814      ?      ? 
1 1 1    4    0   -7 o   21.380   4.0498  164.016   44.033  114.439   63.733  209.294   60.907   16.932   6.7416   25.828   4.4896 -0.000000 0.000000 
1 1 1    4    1   -7 o  344.730   1.7885 34425.13  307.629 34122.60  616.108 34525.61  355.056  343.701   3.1038  345.758   1.7780 -2.057098 3.576985 
1 1 1    4    2   -7 o  168.109   1.2500  8084.85  104.602  8313.20  212.162  8011.52  120.231  169.659   2.1652  166.560   1.2499 3.099106 2.500080 
1 1 1    4    3   -7 o  472.229   2.3652 64776.09  516.370 63819.95  1149.32 65017.90  577.989  469.987   4.2342  474.472   2.1092 -4.484833 4.730472 
1 1 1    4    4   -7 o   76.345   1.2460  1684.01   54.917  1641.86   78.109  1725.22   77.228   75.400   1.7937   77.291   1.7301 -1.890785 2.492080 
1 1 1    4    5   -7 o  638.279   3.5789 117583.20  1238.78 117301.20  1510.32 118163.10  2165.49  637.190   4.1041  639.368   5.8644 -2.177246 7.157797 
1 1 1    4    6   -7 o  471.508   2.6265 64333.57  675.974 63888.70  1163.01 64560.52  830.698  470.245   4.2823  472.771   3.0423 -2.525238 5.252968 
1 1 1    4    7   -7 o  787.345   3.0680 179461.91  1371.42 177117.20  2139.05 181098.30  1787.04  782.933   4.7305  791.757   3.9080 -8.824402 6.136012 
1 1 1    4    8   -7 o  279.250   1.4099 22522.64  227.235 22569.53  315.800 22472.30  327.221  279.552   1.9560  278.948   2.0311 0.6037903 2.819793 
1 1 1    4    9   -7 o  346.936   1.4496 34780.88  282.859 34847.53  361.282 34675.31  454.676  347.370   1.8008  346.503   2.2720 0.8670959 2.899129 
1 1 1    4   10   -7 o  465.753   2.3034 62453.77  543.950 63078.80  1068.17 62234.94  632.040  467.296   3.9579  464.209   2.3575 3.086639 4.606783 
1 1 1    4   11   -7 o  860.953   2.9840 214161.00  1483.38 215987.50  2079.06 212267.00  2117.09  864.697   4.1631  857.209   4.2763 7.487854 5.968089 
1 1 1    4   12   -7 o  893.810   2.9074 230597.41  1483.52 229654.50  1953.21 231882.91  2280.68  891.672   3.7928  895.948   4.4075 -4.276001 5.814780 
1 1 1    4   13   -7 o  1002.75   3.8447 290855.59  2188.82 288569.91  3418.56 292443.59  2849.49  999.361   5.9229  1006.14   4.9037 -6.776611 7.689430 
1 1 1    4   14   -7 o  786.647   2.5909 178704.30  1161.31 178551.50  1522.45 178917.00  1795.89  786.258   3.3527  787.036   3.9509 -0.7771606 5.181733 
1 1 1    4   15   -7 o  451.858   1.6437 58964.09  428.934 58828.49  603.679 59102.35  609.573  451.334   2.3159  452.383   2.3331 -1.049042 3.287379 
1 1 1    4   16   -7 o  348.612   2.0347 35285.11  380.053 35602.66  459.703 34599.37  675.543  351.112   2.2670  346.112   3.3795 5.000183 4.069415 
1 1 1    4   17   -7 o  405.117   2.3092 47296.59  506.747 47099.79  616.878 47705.00  888.638  403.837   2.6449  406.397   3.7861 -2.560730 4.618420 
1 1 1    4   18   -7 o  194.199   1.5950 10895.50  178.601 10822.06  259.687 10961.42  246.027  193.578   2.3228  194.821   2.1866 -1.243530 3.190045 
1 1 1    4   19   -7 o  653.678   2.5873 123351.40  957.774 123801.20  1512.29 123050.30  1237.62  654.655   3.9998  652.702   3.2831 1.952942 5.174668 
1 1 1    4   20   -7 o  233.293   1.9897 15720.41  268.043 15772.58  376.164 15666.59  382.046  233.687   2.7871  232.900   2.8403 0.7873230 3.979359 
1 1 1    4   21   -7 o  747.555   4.5043 161463.91  1944.71   0.0000   0.0000 161463.91  1944.71  ?   ?   747.555   4.5043      ?      ? 
1 1 1    4   22   -7 o  379.303   2.6750 41555.13  585.995   0.0000   0.0000 41555.13  585.995  ?   ?   379.303   2.6750      ?      ? 
1 1 1    4   23   -7 o  380.750   2.7292 41874.82  600.158   0.0000   0.0000 41874.82  600.158  ?   ?   380.750   2.7292      ?      ? 
1 1 1    4   24   -7 o  360.928   2.4017 37627.47  500.639 37627.47  500.639   0.0000   0.0000  360.928   2.4017  ?   ?       ?      ? 
1 1 1    4   25   -7 o  602.214   3.8407 104924.10  1330.93 105343.20  1808.45 104429.00  1965.82  603.567   5.1880  600.862   5.6648 2.704712 7.681461 
1 1 1    4   26   -7 f   98.222   2.4060  2786.92  136.488  2786.92  136.488   0.0000   0.0000   98.222   2.4060  ?   ?       ?      ? 
1 1 1    4   27   -7 o  255.322   1.9130 18830.36  281.768 18928.30  408.847 18741.75  388.865  255.951   2.7658  254.692   2.6436 1.258209 3.826002 
1 1 1    4   28   -7 o   84.980   2.2585  2108.00  104.548  2024.07  179.024  2151.45  128.790   83.671   3.7047   86.290   2.5843 -2.619186 4.516990 
1 1 1    4   29   -7 o  174.807   1.2987  8832.19  130.493  8879.42  176.442  8775.18  193.877  175.326   1.7425  174.288   1.9261 1.038284 2.597319 
1 1 1    4   30   -7 o  138.708   1.6831  5557.92  125.341  5564.97  223.129  5554.67  151.503  138.755   2.7844  138.662   1.8918 0.9288025E-01 3.366244 
1 1 1    4   31   -7 o   66.151   2.5838  1291.17   90.542  1202.02  161.957  1331.71  109.201   64.430   4.3524   67.871   2.7858 -3.440926 5.167596 
1 1 1    4   32   -7 o  388.855   2.6206 43787.80  587.442 43338.12  854.961 44189.96  808.519  386.935   3.8258  390.776   3.5824 -3.841766 5.241239 
1 1 1    4   33   -7 o   46.138   4.4253  720.367   87.000  486.842  184.033  787.576   98.729   40.103   8.2218   52.173   3.2765 -12.07022 8.850616 
1 1 1    4   34   -7 o  254.274   1.9879 18684.83  291.932   0.0000   0.0000 18684.83  291.932  ?   ?   254.274   1.9879      ?      ? 
1 1 1    4   35   -7 f  144.877   1.5870  6090.64  124.890  5997.84  216.495  6136.92  152.895  144.022   2.6028  145.732   1.8166 -1.710144 3.173990 
1 1 1    4   36   -7 o  346.312   2.1081 34781.89  408.329 34350.21  664.284 35044.06  517.678  344.500   3.3387  348.124   2.5748 -3.623596 4.216227 
1 1 1    4   37   -7 o   15.483   7.4482 -551.8008   98.742 -290.4912  195.741 -640.9949  114.360   15.483   7.4482  ?   ?       ?      ? 
1 1 1    4   38   -7 o  231.152   2.2067 15448.05  294.602   0.0000   0.0000 15448.05  294.602  ?   ?   231.152   2.2067      ?      ? 
1 1 1    4   39   -7 o   80.919   2.9769  1935.68  135.841  1706.07  208.601  2104.75  178.996   76.623   4.7138   85.214   3.6370 -8.590973 5.953814 
1 1 1    4   40   -7 o   81.427   2.6420  1952.85  112.227  1854.32  207.101  1993.81  133.533   79.867   4.4898   82.986   2.7861 -3.119263 5.284023 
1 1 1    4   41   -7 o   63.216   4.4844  1147.88  159.542  1069.66  201.183  1280.44  261.891   60.463   5.7613   65.970   6.8737 -5.507267 8.968837 
1 1 1    4   42   -7 o  182.786   2.2013  9671.25  232.388   0.0000   0.0000  9671.25  232.388  ?   ?   182.786   2.2013      ?      ? 
1 1 1    4   43   -7 o   49.680   4.0049  719.863  114.910   0.0000   0.0000  719.863  114.910  ?   ?    49.680   4.0049      ?      ? 
1 1 1    4   44   -7 o   83.030   3.4253  2009.40  164.254   0.0000   0.0000  2009.40  164.254  ?   ?    83.030   3.4253      ?      ? 
1 1 1    4   45   -7 o   68.381   3.1108  1377.89  122.765  1349.88  175.854  1404.52  171.460   67.672   4.4994   69.090   4.2969 -1.417915 6.221608 
1 1 1    4   46   -7 o   63.317   4.2413  1185.12  155.097   0.0000   0.0000  1185.12  155.097  ?   ?    63.317   4.2413      ?      ? 
1 1 1    4   47   -7 o   48.957   5.6324  727.799  159.254   0.0000   0.0000  727.799  159.254  ?   ?    48.957   5.6324      ?      ? 
1 1 1    4   48   -7 o   56.420   4.9278  961.577  160.571   0.0000   0.0000  961.577  160.571  ?   ?    56.420   4.9278      ?      ? 
1 1 1    4   49   -7 o  103.231   2.9210  3132.69  174.150   0.0000   0.0000  3132.69  174.150  ?   ?   103.231   2.9210      ?      ? 
1 1 1    4   50   -7 o   48.149   5.8480  723.958  162.624   0.0000   0.0000  723.958  162.624  ?   ?    48.149   5.8480      ?      ? 
1 1 1    4   51   -7 o   27.717   8.8825  277.905  160.960   0.0000   0.0000  277.905  160.960  ?   ?    27.717   8.8825      ?      ? 
1 1 1    4    0   -8 o  676.981   4.0805 132444.00  1595.06 131458.30  2262.06 133418.70  2249.50  674.472   5.8080  679.490   5.7331 -0.000000 0.000000 
1 1 1    4    1   -8 o   90.566   1.1746  2369.01   61.410  2359.84   88.136  2377.67   85.611   90.395   1.6882   90.736   1.6337 -0.3410797 2.349231 
1 1 1    4    2   -8 o  410.161   2.2359 48988.07  453.487 47832.14  916.863 49362.43  521.779  406.901   3.9015  413.420   2.1853 -6.518616 4.471814 
1 1 1    4    3   -8 o  152.288   0.9327  6710.03   80.576  6765.66  104.773  6629.49  126.059  153.063   1.1852  151.513   1.4406 1.549530 1.865484 
1 1 1    4    4   -8 o  295.517   1.2826 25244.77  215.183 25089.74  336.304 25352.23  280.003  294.746   1.9756  296.289   1.6363 -1.542694 2.565245 
1 1 1    4    5   -8 o  176.481   1.4868  8999.63  151.353  8897.21  218.974  9093.31  209.435  175.518   2.1602  177.443   2.0436 -1.924942 2.973675 
1 1 1    4    6   -8 o  190.200   1.2995 10485.44  135.725 10571.39  168.072 10324.31  230.117  191.327   1.5210  189.073   2.1073 2.254105 2.598920 
1 1 1    4    7   -8 o   55.671   1.7216  895.059   55.354   0.0000   0.0000  895.059   55.354  ?   ?    55.671   1.7216      ?      ? 
1 1 1    4    8   -8 o  315.247   1.8400 28552.67  318.915 29189.47  544.407 28219.98  393.502  317.902   2.9651  312.592   2.1796 5.309875 3.680063 
1 1 1    4    9   -8 o  202.801   1.3922 11908.83  153.867 11783.08  265.360 11972.52  188.856  201.989   2.2747  203.612   1.6060 -1.622726 2.784495 
1 1 1    4   10   -8 o  344.602   1.3727 34319.39  257.871 34217.87  445.289 34370.63  316.309  344.214   2.2399  344.989   1.5875 -0.7755432 2.745428 
1 1 1    4   11   -8 o  337.963   1.5553 32986.37  303.567 32914.81  430.252 33057.32  428.372  337.598   2.2067  338.328   2.1923 -0.7302246 3.110553 
1 1 1    4   12   -8 o  750.510   2.6194 162695.80  1135.37 162028.20  1609.49 163357.20  1601.86  748.977   3.7208  752.044   3.6881 -3.066956 5.238889 
1 1 1    4   13   -8 o  515.077   2.0804 76649.05  606.937 76490.44  956.506 76755.96  785.279  514.624   3.2182  515.531   2.6375 -0.9063721 4.160879 
1 1 1    4   14   -8 o  991.615   3.4388 284066.00  1969.07 284627.31  2760.26 283484.41  2809.78  992.616   4.8149  990.614   4.9111 2.002075 6.877654 
1 1 1    4   15   -8 o  388.492   1.6573 43554.09  363.860 43747.20  578.188 43427.46  468.196  389.201   2.5722  387.784   2.0905 1.417816 3.314603 
1 1 1    4   16   -8 o  342.468   1.9098 33657.31  326.309 34299.96  658.162 33447.86  375.740  344.611   3.3069  340.324   1.9117 4.286530 3.819669 
1 1 1    4   17   -8 o   78.276   2.2377  1793.19   94.953  1840.34  116.594  1700.34  163.620   79.826   2.5290   76.725   3.6925 3.101570 4.475486 
1 1 1    4   18   -8 o  335.018   1.5769 32413.53  305.096 32476.81  433.787 32351.57  429.190  335.341   2.2398  334.694   2.2203 0.6469421 3.153795 
1 1 1    4   19   -8 o  511.128   2.3608 75460.98  696.904 75445.70  984.036 75476.37  987.115  511.076   3.3338  511.179   3.3436 -0.1034546 4.721613 
1 1 1    4   20   -8 o  489.644   2.7780 69108.88  742.358 69723.06  1282.68 68799.52  910.310  491.245   4.5210  488.043   3.2296 3.202606 5.556035 
1 1 1    4   21   -8 o  566.662   2.4926 92750.57  815.422 93074.64  1170.67 92445.18  1136.46  567.620   3.5710  565.703   3.4784 1.917358 4.985107 
1 1 1    4   22   -8 o  140.855   1.7141  5719.21  123.385  5754.52  239.115  5706.39  144.044  141.145   2.9333  140.566   1.7743 0.5785522 3.428190 
1 1 1    4   23   -8 o   82.540   2.5823  1939.07  119.207  2083.37  197.751  1856.70  149.405   84.911   4.0324   80.168   3.2268 4.742767 5.164597 
1 1 1    4   24   -8 o  334.849   2.3137 32444.80  445.497 32968.05  605.263 31826.20  658.103  337.808   3.1023  331.890   3.4333 5.918518 4.627331 
1 1 1    4   25   -8 o  197.499   1.6906 11297.07  185.129 11160.85  307.559 11374.47  231.832  196.554   2.7093  198.444   2.0228 -1.890274 3.381146 
1 1 1    4   26   -8 o  285.479   1.7576 23580.43  276.736 23666.91  344.015 23421.86  465.845  286.240   2.0810  284.719   2.8330 1.521118 3.515115 
1 1 1    4   27   -8 o  136.027   1.9528  5344.86  153.416  5344.86  153.416   0.0000   0.0000  136.027   1.9528  ?   ?       ?      ? 
1 1 1    4   28   -8 o  279.059   1.7635 22449.92  263.686 22638.08  471.977 22364.55  317.931  279.877   2.9199  278.241   1.9785 1.635223 3.527056 
1 1 1    4   29   -8 o  355.636   1.6941 36546.92  347.947 36441.67  493.089 36651.32  491.060  355.125   2.4041  356.146   2.3874 -1.021698 3.388129 
1 1 1    4   30   -8 o  110.444   1.9758  3524.19  126.031   0.0000   0.0000  3524.19  126.031  ?   ?   110.444   1.9758      ?      ? 
1 1 1    4   31   -8 o  381.641   2.5514 42101.24  562.372 42101.24  562.372   0.0000   0.0000  381.641   2.5514  ?   ?       ?      ? 
1 1 1    4   32   -8 o  170.910   1.7474  8439.54  172.485   0.0000   0.0000  8439.54  172.485  ?   ?   170.910   1.7474      ?      ? 
1 1 1    4   33   -8 o  125.413   1.8575  4586.34  130.199  4390.24  210.434  4707.97  165.728  123.201   2.9574  127.625   2.2484 -4.423935 3.715083 
1 1 1    4   34   -8 o  102.662   2.0320  3044.28  120.296  3119.09  175.867  2978.50  164.909  103.842   2.9324  101.482   2.8137 2.360519 4.063949 
1 1 1    4   35   -8 f  170.450   1.8950  8280.49  164.384  8148.95  190.841  8658.71  323.601  167.921   1.9678  172.980   3.2391 -5.058441 3.790023 
1 1 1    4   36   -8 o  122.154   1.9372  4258.93  116.127  4423.80  241.024  4209.09  132.523  123.623   3.3758  120.684   1.9013 2.938484 3.874411 
1 1 1    4   37   -8 o  268.209   1.8179 20789.00  281.591   0.0000   0.0000 20789.00  281.591  ?   ?   268.209   1.8179      ?      ? 
1 1 1    4   38   -8 o   64.602   3.5975  1172.25  129.517  1367.26  219.815  1068.54  160.296   68.537   5.5532   60.666   4.5750 7.870838 7.195060 
1 1 1    4   39   -8 o  132.447   2.2867  5069.99  174.547  5249.12  256.973  4916.55  237.832  134.605   3.3055  130.289   3.1606 4.315735 4.573417 
1 1 1    4   40   -8 o   97.100   2.0673  2726.73  115.932   0.0000   0.0000  2726.73  115.932  ?   ?    97.100   2.0673      ?      ? 
1 1 1    4   41   -8 o  131.023   2.6262  4971.91  198.726   0.0000   0.0000  4971.91  198.726  ?   ?   131.023   2.6262      ?      ? 
1 1 1    4   42   -8 o   61.827   4.3452  1114.92  155.159   0.0000   0.0000  1114.92  155.159  ?   ?    61.827   4.3452      ?      ? 
1 1 1    4   43   -8 o  102.113   2.8423  3037.42  167.435  3239.51  242.708  2853.91  231.281  105.355   3.9888   98.870   4.0503 6.485069 5.684690 
1 1 1    4   44   -8 o   15.477   5.1829 -178.1726  120.928 -355.6040  216.262 -97.4564  145.863   15.499   7.5441   15.454   7.1090 0.4495621E-01 10.36589 
1 1 1    4   45   -8 f   79.643   3.7534  1889.04  171.100  1892.71  227.595  1884.28  259.469   79.896   4.9323   79.391   5.6589 0.5049973 7.506725 
1 1 1    4   46   -8 o   24.592   6.6240  148.264  126.748  223.861  210.340  105.163  158.822   27.428   10.095   21.757   8.5796 5.670843 13.24802 
1 1 1    4   47   -8 o   52.132   5.9765  881.205  170.460  858.969  216.485  917.484  276.520   52.298   7.1673   51.966   9.5659 0.3320084 11.95307 
1 1 1    4   48   -8 o   74.215   3.8832  1637.51  166.445   0.0000   0.0000  1637.51  166.445  ?   ?    74.215   3.8832      ?      ? 
1 1 1    4   49   -8 o   42.587   5.5445  586.070  128.636  704.575  209.465  514.316  162.993   45.716   8.2363   39.457   7.4250 6.259537 11.08904 
1 1 1    4   50   -8 o   70.041   3.3808  1456.54  136.760   0.0000   0.0000  1456.54  136.760  ?   ?    70.041   3.3808      ?      ? 
1 1 1    4   51   -8 o   54.459   5.3425  926.902  168.035   0.0000   0.0000  926.902  168.035  ?   ?    54.459   5.3425      ?      ? 
1 1 1    4    0   -9 o  174.072   1.5734  8755.24  158.114  8710.53  224.283  8799.43  222.937  173.629   2.2374  174.514   2.2127 -0.000000 0.000000 
1 1 1    4    1   -9 o  331.005   1.5159 31644.15  289.785 31417.95  410.674 31868.48  408.966  329.826   2.1559  332.183   2.1317 -2.356812 3.031830 
1 1 1    4    2   -9 o  243.736   1.2441 17158.46  175.099 17269.51  245.684 17043.82  249.619  244.538   1.7396  242.934   1.7791 1.603546 2.488251 
1 1 1    4    3   -9 o  229.894   1.4818 15293.69  184.525 15350.72  225.059 15176.72  322.307  230.553   1.6902  229.234   2.4345 1.319092 2.963691 
1 1 1    4    4   -9 o  191.103   1.3192 10544.96  137.073 10552.83  238.159 10541.07  167.619  191.154   2.1572  191.052   1.5191 0.1011810 2.638439 
1 1 1    4    5   -9 o  219.638   1.4811 13930.17  177.739 13926.29  218.435 13937.79  305.765  219.596   1.7223  219.680   2.4100 -0.8348083E-01 2.962147 
1 1 1    4    6   -9 o  445.666   2.1664 57002.17  452.384 56745.35  507.662 57992.57  996.916  443.270   1.9830  448.061   3.8524 -4.790863 4.332845 
1 1 1    4    7   -9 o  365.540   1.5610 38628.08  321.915 38770.95  413.579 38408.46  512.758  366.402   1.9544  364.677   2.4345 1.724884 3.121974 
1 1 1    4    8   -9 o  144.499   1.3677  6023.39  107.156  6010.84  130.630  6049.22  187.359  144.271   1.5678  144.727   2.2415 -0.4562073 2.735355 
1 1 1    4    9   -9 o  817.045   3.9836 191983.20  1490.90 194367.41  3382.08 191408.09  1661.00  820.036   7.1411  814.054   3.5329 5.981689 7.967243 
1 1 1    4   10   -9 o  234.473   1.0848 15863.87  138.185 15914.38  240.623 15839.02  168.794  234.750   1.7748  234.197   1.2479 0.5532532 2.169613 
1 1 1    4   11   -9 o  300.784   1.6301 25937.10  247.812 26521.60  490.507 25736.78  287.155  303.036   2.8026  298.531   1.6655 4.505066 3.260146 
1 1 1    4   12   -9 o  821.416   2.6639 194735.00  1251.62 195965.91  1909.76 193808.30  1657.11  823.677   4.0145  819.155   3.5027 4.521973 5.327794 
1 1 1    4   13   -9 o  577.465   3.2139 96539.34  996.627 96906.57  1206.19 95749.21  1769.29  579.234   3.6056  575.696   5.3213 3.538940 6.427836 
1 1 1    4   14   -9 o  343.954   1.8444 34376.47  320.259 33734.86  628.549 34601.44  372.196  341.764   3.1844  346.144   1.8618 -4.380402 3.688718 
1 1 1    4   15   -9 o  748.899   2.7830 161831.00  1137.83 162517.59  1962.40 161483.30  1396.55  750.063   4.5301  747.735   3.2339 2.327393 5.565913 
1 1 1    4   16   -9 o  208.600   1.0989 12525.29  130.755 12313.54  171.247 12821.34  202.484  206.493   1.4359  210.707   1.6639 -4.213470 2.197823 
1 1 1    4   17   -9 o  523.476   2.6572 79483.75  704.411 78465.90  1377.93 79843.88  819.602  521.162   4.5779  525.789   2.6990 -4.627197 5.314319 
1 1 1    4   18   -9 o  456.475   1.6821 60178.81  443.469 59989.56  627.131 60368.09  627.190  455.757   2.3825  457.193   2.3753 -1.435852 3.364288 
1 1 1    4   19   -9 o  300.601   1.7591 25972.55  287.787 26470.29  501.291 25727.86  351.478  302.732   2.8671  298.471   2.0390 4.260803 3.518209 
1 1 1    4   20   -9 o  301.506   1.8223 26294.16  296.505 26148.59  521.897 26363.53  360.300  300.879   3.0034  302.133   2.0648 -1.253998 3.644670 
1 1 1    4   21   -9 o  992.504   6.1816 284889.19  3533.77 288667.81  5207.96 281665.00  4810.67  998.516   9.0308  986.492   8.4436 12.02429 12.36325 
1 1 1    4   22   -9 o  281.632   2.2364 22925.18  363.197 22682.29  527.069 23144.80  501.185  280.207   3.2569  283.056   3.0658 -2.848816 4.472837 
1 1 1    4   23   -9 o  235.806   1.2799 16085.27  170.520 15933.05  270.183 16186.04  219.833  234.873   1.9918  236.738   1.6078 -1.864578 2.559739 
1 1 1    4   24   -9 o  241.534   1.9940 16850.09  278.157 16850.09  278.157   0.0000   0.0000  241.534   1.9940  ?   ?       ?      ? 
1 1 1    4   25   -9 o  349.348   2.1987 35365.64  402.776 35507.59  478.652 35021.32  745.484  350.596   2.3639  348.099   3.7081 2.497345 4.397488 
1 1 1    4   26   -9 o  111.912   2.3390  3618.16  151.181  3618.16  151.181   0.0000   0.0000  111.912   2.3390  ?   ?       ?      ? 
1 1 1    4   27   -9 o  337.926   2.1880 32993.63  426.960 33542.35  610.765 32469.19  597.092  340.672   3.1042  335.180   3.0845 5.492279 4.376075 
1 1 1    4   28   -9 o   83.576   2.6259  2018.51  126.747  2018.51  126.747   0.0000   0.0000   83.576   2.6259  ?   ?       ?      ? 
1 1 1    4   29   -9 o  132.015   1.9651  5035.08  149.830   0.0000   0.0000  5035.08  149.830  ?   ?   132.015   1.9651      ?      ? 
1 1 1    4   30   -9 o  254.555   2.0205 18722.71  297.054   0.0000   0.0000 18722.71  297.054  ?   ?   254.555   2.0205      ?      ? 
1 1 1    4   31   -9 o  263.085   1.6878 19996.13  256.451   0.0000   0.0000 19996.13  256.451  ?   ?   263.085   1.6878      ?      ? 
1 1 1    4   32   -9 o  106.978   2.1099  3305.07  127.125  3332.24  204.145  3287.86  162.471  107.318   3.2937  106.638   2.6380 0.6802139 4.219897 
1 1 1    4   33   -9 o  140.565   2.0604  5712.80  166.854  5684.82  227.821  5745.17  245.053  140.202   2.8136  140.929   3.0108 -0.7269287 4.120764 
1 1 1    4   34   -9 o  154.793   1.7060  6929.40  117.281  6923.66  276.011  6930.67  129.559  154.698   3.0893  154.889   1.4483 -0.1914215 3.411932 
1 1 1    4   35   -9 o   61.654   4.7348  1102.71  168.598   0.0000   0.0000  1102.71  168.598  ?   ?    61.654   4.7348      ?      ? 
1 1 1    4   36   -9 o  198.685   1.7187 11378.13  181.172 11323.49  216.678 11505.10  330.290  197.944   1.8953  199.425   2.8677 -1.480743 3.437425 
1 1 1    4   37   -9 o  200.600   1.8866 11667.49  207.314 11553.33  353.763 11727.19  255.851  199.796   3.0658  201.404   2.1995 -1.607620 3.773191 
1 1 1    4   38   -9 o   60.149   4.7034  1146.05  143.039  860.931  258.220  1272.27  171.808   54.103   8.2640   66.195   4.4940 -12.09238 9.406856 
1 1 1    4   39   -9 o  146.984   1.8793  6245.66  159.533   0.0000   0.0000  6245.66  159.533  ?   ?   146.984   1.8793      ?      ? 
1 1 1    4   40   -9 o   73.204   3.0322  1552.80  128.195   0.0000   0.0000  1552.80  128.195  ?   ?    73.204   3.0322      ?      ? 
1 1 1    4   41   -9 o  153.010   1.9172  6772.12  169.422   0.0000   0.0000  6772.12  169.422  ?   ?   153.010   1.9172      ?      ? 
1 1 1    4   42   -9 o   73.904   3.6159  1589.07  154.339   0.0000   0.0000  1589.07  154.339  ?   ?    73.904   3.6159      ?      ? 
1 1 1    4   43   -9 o   61.247   4.7029  1100.66  166.356   0.0000   0.0000  1100.66  166.356  ?   ?    61.247   4.7029      ?      ? 
1 1 1    4   44   -9 o  109.106   3.1666  3469.61  199.537   0.0000   0.0000  3469.61  199.537  ?   ?   109.106   3.1666      ?      ? 
1 1 1    4   45   -9 o   37.080   8.1114  442.128  168.876   0.0000   0.0000  442.128  168.876  ?   ?    37.080   8.1114      ?      ? 
1 1 1    4   46   -9 o   77.853   3.6313  1784.87  163.277   0.0000   0.0000  1784.87  163.277  ?   ?    77.853   3.6313      ?      ? 
1 1 1    4   47   -9 o   61.936   4.4110  1146.33  157.785   0.0000   0.0000  1146.33  157.785  ?   ?    61.936   4.4110      ?      ? 
1 1 1    4   48   -9 o   43.459   6.7067  595.016  168.332   0.0000   0.0000  595.016  168.332  ?   ?    43.459   6.7067      ?      ? 
1 1 1    4   49   -9 o   59.350   4.9884  1074.00  170.987   0.0000   0.0000  1074.00  170.987  ?   ?    59.350   4.9884      ?      ? 
1 1 1    4   50   -9 o   47.409   6.1767  712.706  169.122   0.0000   0.0000  712.706  169.122  ?   ?    47.409   6.1767      ?      ? 
1 1 1    4   51   -9 o   30.175   9.0300  340.739  169.628   0.0000   0.0000  340.739  169.628  ?   ?    30.175   9.0300      ?      ? 
1 1 1    4    0  -10 o  391.828   2.4913 44357.93  563.541 44056.32  804.326 44648.75  789.805  390.518   3.5669  393.139   3.4791 -0.000000 0.000000 
1 1 1    4    1  -10 o  169.281   0.9609  8293.36   89.167  8332.76  110.102  8218.28  151.999  169.868   1.1223  168.695   1.5601 1.173141 1.921826 
1 1 1    4    2  -10 o  1121.48   3.8921 363440.59  2520.90 363392.81  3575.98 363487.91  3554.30  1121.41   5.5214  1121.56   5.4871 -0.1514893 7.784219 
1 1 1    4    3  -10 o  ?   ?  -297.7813   49.109 -364.7718   79.429 -256.3274   62.482  ?   ?   ?   ?       ?      ? 
1 1 1    4    4  -10 o  548.013   2.7857 86456.95  833.068 85859.06  1020.84 87648.95  1441.39  545.215   3.2419  550.811   4.5310 -5.595947 5.571352 
1 1 1    4    5  -10 o  485.593   1.9689 67955.78  540.647 67388.04  695.604 68822.05  859.246  483.044   2.4934  488.141   3.0478 -5.097412 3.937775 
1 1 1    4    6  -10 o  886.877   4.4323 227364.20  1969.41 227424.00  2276.26 227186.41  3927.57  887.275   4.4420  886.478   7.6713 0.7966919 8.864578 
1 1 1    4    7  -10 o  545.303   1.9584 85879.19  616.758 86008.73  874.490 85750.96  869.983  545.712   2.7746  544.894   2.7645 0.8181152 3.916755 
1 1 1    4    8  -10 o  355.211   1.3534 36437.88  277.635 36460.12  394.614 36416.07  390.687  355.318   1.9230  355.104   1.9050 0.2145081 2.706783 
1 1 1    4    9  -10 o  260.924   1.1558 19668.47  164.130 19637.97  284.475 19683.70  200.948  260.770   1.8889  261.077   1.3327 -0.3072815 2.311682 
1 1 1    4   10  -10 o  660.929   3.1378 125721.90  1054.96 125212.70  1227.85 127157.70  2061.90  658.431   3.2289  663.427   5.3813 -4.995789 6.275684 
1 1 1    4   11  -10 o  582.527   1.9512 98006.98  649.001 97976.55  995.567 98029.52  855.849  582.443   2.9596  582.611   2.5435 -0.1679688 3.902387 
1 1 1    4   12  -10 o  549.805   2.1295 87159.98  634.382 87720.61  1111.30 86888.97  772.641  551.101   3.4915  548.510   2.4390 2.591431 4.259032 
1 1 1    4   13  -10 o  440.751   1.7823 56097.28  444.819 56133.18  701.976 56073.20  574.995  440.865   2.7570  440.638   2.2594 0.2266846 3.564524 
1 1 1    4   14  -10 o  635.954   2.1313 116633.40  774.288 117982.80  1188.94 115639.70  1020.32  639.136   3.2209  632.772   2.7919 6.364502 4.262539 
1 1 1    4   15  -10 o  229.891   1.1652 15244.92  151.865 15171.74  196.597 15353.18  239.138  229.209   1.4851  230.573   1.7958 -1.364441 2.330326 
1 1 1    4   16  -10 o  188.155   1.3458 10194.20  117.688 10173.92  131.778 10274.08  261.592  187.698   1.2156  188.612   2.4014 -0.9136047 2.691576 
1 1 1    4   17  -10 o  189.115   1.1306 10325.05  122.041 10349.65  187.585 10306.99  160.701  189.309   1.7157  188.920   1.4728 0.3889923 2.261167 
1 1 1    4   18  -10 o  622.477   4.1362 112003.50  1486.60 111037.80  2120.94 112936.10  2084.29  619.832   5.9247  625.121   5.7731 -5.289490 8.272304 
1 1 1    4   19  -10 f  297.794   2.0746 25611.76  356.696 25724.74  511.446 25504.76  497.722  298.432   2.9673  297.155   2.9001 1.277161 4.149210 
1 1 1    4   20  -10 o  293.143   2.0913 24818.40  354.057   0.0000   0.0000 24818.40  354.057  ?   ?   293.143   2.0913      ?      ? 
1 1 1    4   21  -10 o  476.601   3.0792 65616.41  847.584   0.0000   0.0000 65616.41  847.584  ?   ?   476.601   3.0792      ?      ? 
1 1 1    4   22  -10 o  503.937   3.1250 73423.23  908.870 74221.23  1265.50 72573.18  1306.13  506.775   4.3238  501.099   4.5131 5.675690 6.250077 
1 1 1    4   23  -10 o  251.145   1.9821 18209.56  287.400 17621.99  401.011 18830.08  412.105  246.982   2.8113  255.308   2.7949 -8.326248 3.964164 
1 1 1    4   24  -10 o  282.649   2.0414 23090.65  333.033 23378.78  464.593 22786.12  477.638  284.467   2.8278  280.832   2.9449 3.634399 4.082770 
1 1 1    4   25  -10 o  366.789   2.3690 38889.27  501.649 38496.33  717.182 39265.70  701.941  364.970   3.4024  368.608   3.2972 -3.638031 4.737952 
1 1 1    4   26  -10 o  350.811   2.3112 35554.25  468.263   0.0000   0.0000 35554.25  468.263  ?   ?   350.811   2.3112      ?      ? 
1 1 1    4   27  -10 o   91.035   2.3132  2386.58  121.308  2518.05  179.617  2276.32  164.489   93.330   3.3323   88.741   3.2094 4.589256 4.626496 
1 1 1    4   28  -10 o   29.232   6.6157  247.342  128.852  149.584  209.668  306.669  163.337   26.537   10.016   31.927   8.6453 -5.389973 13.23145 
1 1 1    4   29  -10 o  188.045   1.4325 10228.22  141.794 10244.61  168.856 10189.01  261.129  188.322   1.5525  187.768   2.4080 0.5536804 2.865042 
1 1 1    4   30  -10 o  162.546   1.7900  7660.33  153.412  7580.14  281.222  7694.31  183.047  161.906   3.0075  163.186   1.9422 -1.280045 3.580092 
1 1 1    4   31  -10 o  229.063   2.2803 15165.30  301.667   0.0000   0.0000 15165.30  301.667  ?   ?   229.063   2.2803      ?      ? 
1 1 1    4   32  -10 o  118.275   2.2466  4080.01  145.736  3940.69  246.424  4154.95  180.729  116.674   3.6570  119.876   2.6104 -3.202415 4.493107 
1 1 1    4   33  -10 o  129.253   2.1617  4841.61  153.587  4805.12  260.334  4861.08  190.217  128.843   3.4985  129.663   2.5401 -0.8206787 4.323387 
1 1 1    4   34  -10 o   51.010   5.9928  844.610  157.970  564.551  256.522  1015.70  200.497   42.916   10.448   59.105   5.8736 -16.18882 11.98551 
1 1 1    4   35  -10 f  160.152   1.8876  7412.19  174.594   0.0000   0.0000  7412.19  174.594  ?   ?   160.152   1.8876      ?      ? 
1 1 1    4   36  -10 o   27.499   8.6208  220.157  152.322   0.0000   0.0000  220.157  152.322  ?   ?    27.499   8.6208      ?      ? 
1 1 1    4   37  -10 o  125.513   2.6434  4557.19  191.615   0.0000   0.0000  4557.19  191.615  ?   ?   125.513   2.6434      ?      ? 
1 1 1    4   38  -10 o  134.677   2.6426  5248.26  205.545   0.0000   0.0000  5248.26  205.545  ?   ?   134.677   2.6426      ?      ? 
1 1 1    4   39  -10 o  193.006   2.3028 10776.41  256.697   0.0000   0.0000 10776.41  256.697  ?   ?   193.006   2.3028      ?      ? 
1 1 1    4   40  -10 o  187.972   2.2454 10224.15  243.770   0.0000   0.0000 10224.15  243.770  ?   ?   187.972   2.2454      ?      ? 
1 1 1    4   41  -10 o   91.947   3.3961  2455.41  180.345   0.0000   0.0000  2455.41  180.345  ?   ?    91.947   3.3961      ?      ? 
1 1 1    4   42  -10 o   45.847   6.2952  622.076  166.689   0.0000   0.0000  622.076  166.689  ?   ?    45.847   6.2952      ?      ? 
1 1 1    4   43  -10 o   14.620   7.2812 -794.5527  166.666 -590.0636  244.229 -972.7822  228.008   14.620   7.2812  ?   ?       ?      ? 
1 1 1    4   44  -10 o   92.972   3.5253  2565.09  188.800  2676.63  261.785  2444.20  272.546   95.184   4.7621   90.761   5.1994 4.423019 7.050641 
1 1 1    4   45  -10 o   51.657   5.6393  835.243  167.796  820.888  244.749  847.974  230.490   51.075   8.2971   52.239   7.6396 -1.164135 11.27856 
1 1 1    4   46  -10 o   10.170   5.1687 -587.9199  161.749   0.0000   0.0000 -587.9199  161.749  ?   ?    10.170   5.1687      ?      ? 
1 1 1    4   47  -10 o   54.910   5.1798  949.326  161.531  1198.36  239.614  741.878  218.696   61.861   6.7067   47.958   7.8957 13.90303 10.35964 
1 1 1    4   48  -10 o   42.054   6.9519  639.809  174.825  843.647  243.499  422.945  251.158   50.503   8.3482   33.605   11.119 16.89882 13.90381 
1 1 1    4   49  -10 o   50.113   5.0223  768.029  145.358   0.0000   0.0000  768.029  145.358  ?   ?    50.113   5.0223      ?      ? 
1 1 1    4   50  -10 o   80.847   3.7575  1959.49  175.448   0.0000   0.0000  1959.49  175.448  ?   ?    80.847   3.7575      ?      ? 
1 1 1    4    0  -11 o  853.358   5.2197 210368.20  2572.32   0.0000   0.0000 210368.20  2572.32  853.358   5.2197  853.358   5.2197 -0.000000 0.000000 
1 1 1    4    1  -11 o  1218.15   4.6762 428962.50  3231.01 428351.31  5069.81 429380.59  4192.79  1217.32   7.2111  1218.98   5.9556 -1.654663 9.352443 
1 1 1    4    2  -11 o  314.407   1.2308 28549.04  223.486 28866.60  315.611 28229.67  316.504  316.161   1.7285  312.653   1.7528 3.507629 2.461678 
1 1 1    4    3  -11 o  891.524   3.0960 229602.09  1594.10 230027.00  2251.91 229175.41  2256.89  892.351   4.3695  890.696   4.3873 1.654541 6.191980 
1 1 1    4    4  -11 o  402.177   1.3988 46699.12  321.619 46794.86  491.243 46627.30  425.486  402.535   2.1130  401.818   1.8335 0.7173462 2.797587 
1 1 1    4    5  -11 o  317.018   1.8530 29004.67  318.566 29084.67  556.628 28965.70  388.479  317.336   3.0371  316.699   2.1239 0.6367798 3.706077 
1 1 1    4    6  -11 o  414.519   2.1519 50033.55  411.763 48949.46  916.747 50307.53  460.868  411.663   3.8559  417.374   1.9119 -5.710876 4.303846 
1 1 1    4    7  -11 o  812.462   2.9928 190217.30  1328.24 192072.80  2291.24 189278.20  1630.09  815.401   4.8653  809.523   3.4866 5.877502 5.985614 
1 1 1    4    8  -11 o  611.098   2.0452 107977.60  714.319 106980.40  1089.12 108730.40  946.271  608.613   3.0985  613.583   2.6703 -4.969788 4.090364 
1 1 1    4    9  -11 o  521.667   1.8877 78592.32  568.717 78789.38  808.860 78399.66  799.791  522.314   2.6814  521.021   2.6579 1.292786 3.775459 
1 1 1    4   10  -11 o  829.396   3.0673 199346.70  1388.09 196738.80  2386.23 200680.50  1706.54  825.242   5.0066  833.550   3.5449 -8.308228 6.134513 
1 1 1    4   11  -11 o  499.093   2.6241 71965.77  593.751 71977.20  659.854 71917.15  1361.01  499.231   2.2886  498.955   4.7230 0.2763977 5.248225 
1 1 1    4   12  -11 o   88.215   1.7934  2215.23   74.143  2302.68  164.201  2192.83   83.096   89.290   3.1841   87.140   1.6511 2.150566 3.586746 
1 1 1    4   13  -11 f  249.351   1.0769 17955.62  155.023 17946.63  222.308 17964.13  216.287  249.290   1.5441  249.412   1.5015 -0.1217651 2.153757 
1 1 1    4   14  -11 o  464.978   1.8750 62384.44  471.612 62277.95  573.708 62606.36  828.225  464.378   2.1391  465.579   3.0801 -1.201721 3.750069 
1 1 1    4   15  -11 o  620.163   3.5371 110924.40  1176.54 110597.90  1420.11 111639.10  2100.93  618.767   3.9738  621.558   5.8525 -2.791321 7.074145 
1 1 1    4   16  -11 o  297.584   1.8828 25454.58  305.425 25211.61  373.620 25944.05  530.288  295.461   2.1895  299.707   3.0636 -4.246063 3.765561 
1 1 1    4   17  -11 o  664.645   3.5020 127603.80  1344.28 127603.80  1344.28   0.0000   0.0000  664.645   3.5020  ?   ?       ?      ? 
1 1 1    4   18  -11 o  529.796   3.5828 81109.27  1096.20 81044.95  1542.14 81174.96  1558.53  529.585   5.0420  530.006   5.0915 -0.4210205 7.165555 
1 1 1    4   19  -11 o  337.615   2.3732 32921.04  462.741   0.0000   0.0000 32921.04  462.741  ?   ?   337.615   2.3732      ?      ? 
1 1 1    4   20  -11 o  531.375   3.2557 81568.05  999.161   0.0000   0.0000 81568.05  999.161  ?   ?   531.375   3.2557      ?      ? 
1 1 1    4   21  -11 o  411.552   2.8366 48942.24  674.192 48149.92  950.934 49742.99  955.988  408.202   4.0336  414.902   3.9895 -6.700836 5.673278 
1 1 1    4   22  -11 o  294.266   2.1630 25036.73  366.921 24665.78  533.337 25370.07  505.585  292.190   3.1605  296.341   2.9540 -4.151123 4.326076 
1 1 1    4   23  -11 o  185.726   2.0241  9963.25  217.120  9963.25  217.120   0.0000   0.0000  185.726   2.0241  ?   ?       ?      ? 
1 1 1    4   24  -11 f  327.112   2.2839 30925.30  430.743 30999.88  592.596 30841.74  627.201  327.537   3.1327  326.687   3.3242 0.8499146 4.567706 
1 1 1    4   25  -11 o  360.624   2.1174 37628.88  417.877 37431.16  715.464 37731.25  514.813  359.864   3.4424  361.385   2.4666 -1.520874 4.234887 
1 1 1    4   26  -11 o  186.399   1.8430  9948.88  156.654  9892.53  174.164 10187.60  358.482  185.064   1.6295  187.733   3.3063 -2.668518 3.686026 
1 1 1    4   27  -11 f   16.440   5.1124 -39.0796   94.619   13.517  118.464 -131.7561  157.249   17.088   7.1535   15.791   7.3057 1.297130 10.22477 
1 1 1    4   28  -11 o  188.073   1.4856 10242.16  146.868 10273.78  174.793 10166.20  270.868  188.590   1.6048  187.557   2.5006 1.033035 2.971237 
1 1 1    4   29  -11 o  236.557   1.9770 16053.17  235.950 15923.75  273.142 16433.71  468.367  234.757   2.0146  238.357   3.4023 -3.600525 3.954010 
1 1 1    4   30  -11 o  233.508   1.8396 15819.35  227.586 15620.97  413.474 15905.58  272.596  232.402   3.0805  234.614   2.0118 -2.211716 3.679242 
1 1 1    4   31  -11 o   83.399   2.8464  2011.44  137.103   0.0000   0.0000  2011.44  137.103  ?   ?    83.399   2.8464      ?      ? 
1 1 1    4   32  -11 o  160.824   1.9868  7474.55  184.536   0.0000   0.0000  7474.55  184.536  ?   ?   160.824   1.9868      ?      ? 
1 1 1    4   33  -11 o  147.344   3.5269  6284.63  300.129   0.0000   0.0000  6284.63  300.129  ?   ?   147.344   3.5269      ?      ? 
1 1 1    4   34  -11 o   67.214   6.3461  1315.28  246.352   0.0000   0.0000  1315.28  246.352  ?   ?    67.214   6.3461      ?      ? 
1 1 1    4   35  -11 o  117.386   4.1151  3993.73  278.988   0.0000   0.0000  3993.73  278.988  ?   ?   117.386   4.1151      ?      ? 
1 1 1    4   36  -11 o  179.646   2.2903  9331.05  237.625   0.0000   0.0000  9331.05  237.625  ?   ?   179.646   2.2903      ?      ? 
1 1 1    4   37  -11 o   72.730   4.4338  1535.54  186.238   0.0000   0.0000  1535.54  186.238  ?   ?    72.730   4.4338      ?      ? 
1 1 1    4   38  -11 o  287.631   2.5321 24032.67  415.196 24289.64  546.724 23682.52  638.180  289.545   3.2694  285.716   3.8674 3.829315 5.064188 
1 1 1    4   39  -11 o   11.901   5.9726 -521.1740  179.237   0.0000   0.0000 -521.1740  179.237  ?   ?    11.901   5.9726      ?      ? 
1 1 1    4   40  -11 o  134.472   2.3376  5268.17  160.302  5201.76  309.967  5292.42  187.293  133.738   4.0131  135.206   2.3985 -1.468475 4.675199 
1 1 1    4   41  -11 o  157.221   2.0206  7123.94  175.064  7323.92  297.651  7018.18  216.462  158.795   3.2455  155.647   2.4080 3.147781 4.041268 
1 1 1    4   42  -11 o   54.569   5.6313  878.814  177.477   0.0000   0.0000  878.814  177.477  ?   ?    54.569   5.6313      ?      ? 
1 1 1    4   43  -11 f  104.645   2.5813  3221.58  124.323  3161.62  277.308  3236.66  139.084  103.661   4.6319  105.628   2.2799 -1.967102 5.162616 
1 1 1    4   44  -11 o   76.739   3.7141  1759.70  163.743  1677.16  240.559  1830.95  223.514   74.917   5.5597   78.561   4.9262 -3.643860 7.428186 
1 1 1    4   45  -11 o   52.347   4.6756  787.989  120.217  946.145  255.207  742.887  136.285   54.761   8.0693   49.934   4.7257 4.827244 9.351236 
1 1 1    4   46  -11 o   21.103   6.3495   47.872  126.871   97.007  226.240   25.332  153.233   23.554   9.8746   18.653   7.9848 4.901058 12.69896 
1 1 1    4   47  -11 o   39.076   7.4200  558.805  171.970  498.452  251.393  611.888  235.764   36.653   10.998   41.500   9.9627 -4.847057 14.83992 
1 1 1    4   48  -11 o   60.959   5.4480  1229.29  181.933  1285.15  229.032  1133.77  299.501   64.103   6.1863   57.816   8.9695 6.287018 10.89595 
1 1 1    4   49  -11 f   40.881   5.9663  524.827  140.868   0.0000   0.0000  524.827  140.868  ?   ?    40.881   5.9663      ?      ? 
1 1 1    4   50  -11 f   57.637   4.1016  987.820  129.372  1262.89  231.427  862.787  156.029   62.560   6.4052   52.715   5.1249 9.844620 8.203172 
1 1 1    4    0  -12 o  397.499   2.2149 45432.34  476.558 46233.38  838.422 45050.03  579.223  400.058   3.6294  394.940   2.5396 -0.000000 0.000000 
1 1 1    4    1  -12 o   20.029   5.0326  101.823   66.645   58.219  141.040  114.358   75.620   20.187   8.0455   19.871   6.0479 0.3164825 10.06514 
1 1 1    4    2  -12 o  161.627   1.4331  7529.56  124.009  7583.27  222.246  7505.28  149.435  162.043   2.3748  161.212   1.6050 0.8312836 2.866257 
1 1 1    4    3  -12 o  133.423   0.9239  5138.51   71.115  5189.26  103.189  5092.59   98.144  134.051   1.3328  132.796   1.2797 1.254318 1.847702 
1 1 1    4    4  -12 o  374.383   1.4045 40478.68  303.650 40402.29  432.254 40553.09  426.651  374.034   2.0010  374.732   1.9714 -0.6977844 2.808950 
1 1 1    4    5  -12 o  285.059   1.7401 23557.02  268.053 23212.90  469.482 23723.46  326.503  283.504   2.8673  286.614   1.9724 -3.110718 3.480231 
1 1 1    4    6  -12 o  251.128   1.6438 18119.50  226.164 17921.53  278.023 18506.78  388.863  249.113   1.9324  253.141   2.6598 -4.028168 3.287658 
1 1 1    4    7  -12 o  301.659   1.4268 26278.84  248.577 26121.44  350.701 26437.77  352.386  300.751   2.0190  302.566   2.0166 -1.815582 2.853605 
1 1 1    4    8  -12 o  523.984   2.6574 79301.55  700.289 79300.41  810.888 79304.88  1389.01  524.005   2.6794  523.962   4.5901 0.4272461E-01 5.314884 
1 1 1    4    9  -12 o  195.515   1.0070 11032.74  113.631 10882.84  157.317 11196.26  164.308  194.127   1.4031  196.903   1.4448 -2.775360 2.014053 
1 1 1    4   10  -12 o  349.849   1.5000 35470.96  296.616 35966.93  383.433 34731.86  468.070  352.908   1.8812  346.790   2.3370 6.117645 3.000099 
1 1 1    4   11  -12 o  144.397   0.9421  6022.24   78.540  5980.14  112.410  6062.40  109.780  143.903   1.3525  144.890   1.3119 -0.9865112 1.884258 
1 1 1    4   12  -12 o  254.512   1.7337 18691.74  236.992 18750.99  421.802 18664.41  286.487  254.802   2.8663  254.223   1.9512 0.5790253 3.467403 
1 1 1    4   13  -12 o  881.229   3.6293 224400.59  1803.90 224539.91  2314.69 224185.30  2878.78  881.625   4.5459  880.833   5.6589 0.7916260 7.258666 
1 1 1    4   14  -12 o  829.074   3.6845 198595.59  1763.87 198277.09  2468.33 198928.09  2521.51  828.399   5.1592  829.749   5.2617 -1.349731 7.369028 
1 1 1    4   15  -12 o  274.591   1.7556 21710.99  263.452 21978.36  454.326 21575.54  323.371  275.855   2.8517  273.327   2.0485 2.527527 3.511183 
1 1 1    4   16  -12 o  333.508   2.3713 32129.01  456.730 31860.22  646.013 32397.64  645.814  332.113   3.3680  334.903   3.3389 -2.790161 4.742524 
1 1 1    4   17  -12 o  350.192   2.0255 35217.78  389.555 34773.63  479.981 36074.99  666.812  346.987   2.3951  353.396   3.2671 -6.409271 4.050948 
1 1 1    4   18  -12 o  718.191   3.6749 148891.09  1307.82 148719.70  1502.94 149425.80  2654.12  717.494   3.6269  718.888   6.3925 -1.393555 7.349778 
1 1 1    4   19  -12 o  292.714   1.8341 24885.08  257.142 24503.42  545.319 24994.21  291.596  291.243   3.2420  294.184   1.7162 -2.941498 3.668228 
1 1 1    4   20  -12 o  465.280   3.0136 62538.14  809.818   0.0000   0.0000 62538.14  809.818  ?   ?   465.280   3.0136      ?      ? 
1 1 1    4   21  -12 o  240.558   2.0610 16726.19  284.183 16644.93  428.510 16789.98  379.694  240.030   3.0911  241.085   2.7270 -1.055725 4.122023 
1 1 1    4   22  -12 o  452.198   2.1417 59070.30  556.512 58993.10  750.002 59164.89  830.138  451.881   2.8738  452.515   3.1764 -0.6345520 4.283453 
1 1 1    4   23  -12 o  272.458   2.0910 21441.48  328.827 21259.46  456.065 21638.56  474.549  271.256   2.9111  273.659   3.0025 -2.403046 4.182085 
1 1 1    4   24  -12 o  285.274   2.3935 23547.16  388.298 23672.66  507.419 23369.82  603.186  286.214   3.0697  284.334   3.6731 1.880280 4.786934 
1 1 1    4   25  -12 o   78.115   2.3956  1764.53  108.035  1722.13  153.573  1806.08  152.008   77.184   3.4451   79.046   3.3297 -1.861488 4.791189 
1 1 1    4   26  -12 o  221.989   2.0017 14236.31  256.636 14236.31  256.636   0.0000   0.0000  221.989   2.0017  ?   ?       ?      ? 
1 1 1    4   27  -12 o  236.182   1.8956 16115.02  258.345 16282.16  374.190 15962.78  357.118  237.348   2.7297  235.016   2.6311 2.331894 3.791295 
1 1 1    4   28  -12 o  222.927   1.9948 14341.16  253.321 14520.02  393.174 14214.21  331.237  224.094   3.0379  221.760   2.5862 2.333664 3.989654 
1 1 1    4   29  -12 o  269.485   1.5135 20997.00  235.203 21191.30  324.678 20782.43  341.190  270.803   2.0759  268.167   2.2030 2.636688 3.026963 
1 1 1    4   30  -12 o  143.058   1.4397  5914.82  118.897  6143.79  168.719  5688.93  167.579  145.811   2.0035  140.306   2.0680 5.504547 2.879376 
1 1 1    4   31  -12 o  120.393   2.2069  4125.55  137.133  4343.93  264.426  4045.21  160.387  122.489   3.7378  118.296   2.3475 4.193489 4.413892 
1 1 1    4   32  -12 o  108.289   2.5338  3390.95  147.550  3405.14  262.008  3384.36  178.555  108.406   4.1848  108.172   2.8581 0.2332764 5.067666 
1 1 1    4   33  -12 o  162.888   1.9948  7616.32  181.137  7892.22  300.567  7458.97  226.986  165.155   3.1511  160.621   2.4469 4.534073 3.989575 
1 1 1    4   34  -12 o  266.675   2.1952 20418.93  298.697 20241.23  347.883 20917.44  582.679  264.609   2.2764  268.741   3.7541 -4.132385 4.390374 
1 1 1    4   35  -12 o  113.585   3.2408  3737.13  211.066  3692.30  281.294  3794.90  319.287  112.837   4.3164  114.333   4.8353 -1.495506 6.481652 
1 1 1    4   36  -12 o  141.489   2.5628  5795.47  209.324  5562.92  291.682  6042.41  300.575  138.562   3.6448  144.416   3.6037 -5.853653 5.125601 
1 1 1    4   37  -12 o  227.279   2.4050 14941.67  315.692   0.0000   0.0000 14941.67  315.692  ?   ?   227.279   2.4050      ?      ? 
1 1 1    4   38  -12 o  102.461   2.7541  3030.68  146.818  3084.77  277.017  3009.55  173.134  102.981   4.6576  101.940   2.9407 1.041512 5.508276 
1 1 1    4   39  -12 o   56.222   5.1301  922.399  166.576   0.0000   0.0000  922.399  166.576  ?   ?    56.222   5.1301      ?      ? 
1 1 1    4   40  -12 o  145.385   2.0000  6009.73  144.166  6359.13  295.942  5901.02  165.078  147.961   3.4632  142.810   2.0014 5.150497 3.999926 
1 1 1    4   41  -12 o   74.653   3.9800  1624.97  171.600   0.0000   0.0000  1624.97  171.600  ?   ?    74.653   3.9800      ?      ? 
1 1 1    4   42  -12 o  116.700   2.5634  4026.96  151.850  3857.09  293.134  4089.26  177.526  114.708   4.4247  118.692   2.5897 -3.984642 5.126899 
1 1 1    4   43  -12 o   46.874   5.5947  682.878  136.701  681.944  242.281  683.313  165.573   45.941   9.4468   47.807   5.9967 -1.866402 11.18940 
1 1 1    4   44  -12 o  113.789   3.2392  3833.93  212.777  3709.82  295.668  3967.25  306.445  111.884   4.5756  115.694   4.5862 -3.810005 6.478417 
1 1 1    4   45  -12 o   49.450   4.9992  699.629  135.868  980.229  242.244  570.846  164.111   55.870   7.5074   43.029   6.6037 12.84100 9.998487 
1 1 1    4   46  -12 o   78.010   4.1056  1855.84  184.438  1999.82  273.892  1736.38  249.482   80.710   5.8758   75.311   5.7358 5.398170 8.211256 
1 1 1    4   47  -12 o   93.066   3.4886  2618.40  185.755  2680.39  283.808  2571.95  245.691   93.741   5.2421   92.390   4.6045 1.351662 6.977187 
1 1 1    4   48  -12 o   18.372   5.9521 -64.4175  142.022 -287.9179  266.722   24.027  167.785   17.810   8.5996   18.935   8.2313 -1.124186 11.90413 
1 1 1    4   49  -12 o   66.263   5.2165  1446.48  198.567  1274.75  276.917  1628.23  284.887   61.777   7.7614   70.749   6.9721 -8.972965 10.43309 
1 1 1    4   50  -12 o   80.954   4.3200  2000.57  201.979   0.0000   0.0000  2000.57  201.979  ?   ?    80.954   4.3200      ?      ? 
1 1 1    4    0  -13 o  477.941   2.5907 65779.72  670.803 66565.65  1176.64 65401.28  816.487  480.027   4.2449  475.855   2.9712 -0.000000 0.000000 
1 1 1    4    1  -13 o  861.670   3.3503 214660.30  1634.59 213573.50  2576.51 215392.30  2114.63  859.812   5.1885  863.527   4.2401 -3.714355 6.700660 
1 1 1    4    2  -13 o  250.470   1.3175 18117.49  190.587 17988.39  269.559 18246.54  269.503  249.578   1.8701  251.363   1.8564 -1.784546 2.635059 
1 1 1    4    3  -13 o  539.249   2.1337 83850.84  651.119 84646.15  1031.72 83324.40  839.394  541.363   3.2998  537.135   2.7058 4.228210 4.267331 
1 1 1    4    4  -13 o  148.346   1.1019  6373.18   93.089  6467.04  122.361  6244.20  143.433  149.647   1.4158  147.045   1.6889 2.601822 2.203828 
1 1 1    4    5  -13 o   82.585   1.5748  1970.12   74.846  1975.07  101.734  1964.28  110.505   82.699   2.1300   82.472   2.3200 0.2268753 3.149515 
1 1 1    4    6  -13 o  291.387   1.7304 24603.97  276.343 24786.89  341.405 24256.40  470.597  292.967   2.0177  289.806   2.8116 3.160858 3.460701 
1 1 1    4    7  -13 f  375.456   1.9383 40314.73  335.819 40054.97  374.707 41374.96  757.014  372.426   1.7421  378.485   3.4631 -6.059448 3.876613 
1 1 1    4    8  -13 o  368.861   1.5948 39343.69  332.907 39548.89  430.434 39038.21  525.179  370.062   2.0139  367.659   2.4733 2.403259 3.189539 
1 1 1    4    9  -13 o  377.316   1.8096 41116.30  394.334 41116.22  559.386 41116.37  555.975  377.315   2.5670  377.316   2.5513 -0.9155273E-03 3.619194 
1 1 1    4   10  -13 o  384.294   1.6947 42623.20  367.060 42776.60  587.693 42525.09  470.010  384.856   2.6440  383.732   2.1208 1.124603 3.389482 
1 1 1    4   11  -13 o  725.780   4.0301 151724.30  1602.03 150701.59  1970.80 153716.50  2750.60  722.255   4.7246  729.305   6.5303 -7.050049 8.060194 
1 1 1    4   12  -13 o  578.600   3.2390 96942.59  1015.50 96055.41  1771.65 97376.70  1239.29  576.581   5.3202  580.618   3.6957 -4.037048 6.477908 
1 1 1    4   13  -13 o  420.436   2.5708 50992.26  561.230 50905.75  661.644 51214.18  1059.69  419.828   2.7288  421.045   4.3578 -1.217590 5.141629 
1 1 1    4   14  -13 o  153.114   1.3812  6751.62  120.883  6900.00  185.619  6642.33  159.294  154.570   2.0793  151.658   1.8186 2.911667 2.762407 
1 1 1    4   15  -13 o  209.420   1.6743 12682.53  190.753 12714.57  233.573 12618.38  330.540  209.823   1.9275  209.017   2.7381 0.8052979 3.348511 
1 1 1    4   16  -13 o  129.068   1.8854  4905.87  112.765  4971.68  126.637  4653.87  247.799  131.207   1.6712  126.928   3.3803 4.278488 3.770835 
1 1 1    4   17  -13 o  282.602   1.8022 23184.88  279.828 23455.09  347.029 22682.61  473.136  284.977   2.1085  280.227   2.9234 4.750275 3.604452 
1 1 1    4   18  -13 o  197.270   1.3937 11251.20  157.020 11158.60  240.151 11320.36  207.523  196.559   2.1155  197.982   1.8149 -1.423782 2.787313 
1 1 1    4   19  -13 o  488.840   3.1460 69034.55  888.202   0.0000   0.0000 69034.55  888.202  ?   ?   488.840   3.1460      ?      ? 
1 1 1    4   20  -13 o   76.329   2.6570  1682.98  117.129   0.0000   0.0000  1682.98  117.129  ?   ?    76.329   2.6570      ?      ? 
1 1 1    4   21  -13 o  168.497   1.7137  8199.91  166.769   0.0000   0.0000  8199.91  166.769  ?   ?   168.497   1.7137      ?      ? 
1 1 1    4   22  -13 o  106.396   2.5588  3388.47  136.218  3515.63  158.921  3036.34  264.462  110.316   2.4944  102.475   4.4685 7.840324 5.117516 
1 1 1    4   23  -13 f   56.965   5.0342  947.862  164.340  1035.57  226.399  850.174  238.930   59.789   6.5565   54.142   7.6410 5.646564 10.06838 
1 1 1    4   24  -13 o  260.796   1.9003 19668.32  258.865 19689.03  306.589 19616.91  483.130  261.070   2.0334  260.522   3.2110 0.5481262 3.800634 
1 1 1    4   25  -13 o  570.105   3.9757 94178.16  1276.80 94261.94  1634.99 94047.20  2044.09  570.630   4.9611  569.580   6.2138 1.049683 7.951361 
1 1 1    4   26  -13 o   88.299   2.7924  2170.17  126.534  2076.46  146.722  2442.16  249.960   84.753   2.9974   91.844   4.7123 -7.090393 5.584865 
1 1 1    4   27  -13 o  216.505   1.7158 13527.07  211.017 13654.29  330.394 13439.42  274.236  217.348   2.6320  215.661   2.2017 1.687042 3.431510 
1 1 1    4   28  -13 o   87.962   3.1704  2257.50  157.892  2154.09  246.018  2329.92  205.889   86.208   4.9412   89.716   3.9735 -3.508125 6.340706 
1 1 1    4   29  -13 o  212.316   1.5985 13047.14  190.597 13108.55  243.010 12948.97  307.238  212.988   1.9755  211.645   2.5135 1.343719 3.196950 
1 1 1    4   30  -13 o   84.811   2.9737  2042.12  143.158  2304.92  229.204  1874.03  183.311   89.179   4.4501   80.443   3.9456 8.735580 5.947391 
1 1 1    4   31  -13 o  213.061   1.9647 13118.59  241.766 13118.59  241.766   0.0000   0.0000  213.061   1.9647  ?   ?       ?      ? 
1 1 1    4   32  -13 o  243.156   1.9670 17082.72  267.821 17169.17  436.344 17030.46  339.239  243.604   3.1014  242.708   2.4201 0.8959961 3.933915 
1 1 1    4   33  -13 o  147.586   2.0618  6185.41  159.846  6578.17  300.041  6029.75  188.881  150.746   3.4463  144.425   2.2644 6.320602 4.123644 
1 1 1    4   34  -13 o   64.424   3.4097  1202.87  126.595  1231.02  186.108  1178.63  172.708   65.116   4.9487   63.733   4.6921 1.383308 6.819474 
1 1 1    4   35  -13 o   84.338   3.7156  2029.99  167.184  2166.22  305.447  1971.73  199.764   86.220   6.1340   82.456   4.1948 3.763535 7.431141 
1 1 1    4   36  -13 o  233.701   2.0166 15840.07  254.105 15900.83  308.663 15712.30  447.611  234.491   2.2792  232.910   3.3276 1.580246 4.033269 
1 1 1    4   37  -13 o  103.539   3.2060  3105.72  191.716   0.0000   0.0000  3105.72  191.716  ?   ?   103.539   3.2060      ?      ? 
1 1 1    4   38  -13 o  151.972   2.5243  6685.02  221.555   0.0000   0.0000  6685.02  221.555  ?   ?   151.972   2.5243      ?      ? 
1 1 1    4   39  -13 o   17.318   5.7135 -200.6531  145.086 -514.0370  258.771 -56.9722  175.217   16.200   7.9615   18.436   8.1970 -2.235779 11.42701 
1 1 1    4   40  -13 o   74.849   3.4517  1552.37  135.567  1849.14  260.814  1442.51  158.688   79.315   5.6936   70.382   3.9039 8.932930 6.903437 
1 1 1    4   41  -13 o   34.078   7.8317  357.598  178.433  287.014  252.540  427.961  252.145   31.533   11.130   36.623   11.021 -5.089693 15.66330 
1 1 1    4   42  -13 o  126.799   2.3312  4638.06  158.104  4816.66  285.633  4559.17  189.838  128.323   3.8541  125.276   2.6238 3.047012 4.662416 
1 1 1    4   43  -13 o   25.267   7.1112   77.209  143.113  302.210  278.010  -3.9124  166.930   31.632   11.611   18.902   8.2138 12.72917 14.22243 
1 1 1    4   44  -13 o   81.975   3.1776  1926.35  138.473  2174.46  257.218  1825.10  164.317   85.164   5.2295   78.785   3.6112 6.378799 6.355180 
1 1 1    4   45  -13 o   93.753   2.7612  2508.98  126.990  2787.36  266.812  2427.44  144.394   96.397   4.7924   91.108   2.7441 5.289505 5.522461 
1 1 1    4   46  -13 o   33.424   8.4462  379.772  163.110   0.0000   0.0000  379.772  163.110  ?   ?    33.424   8.4462      ?      ? 
1 1 1    4   47  -13 o   78.453   3.3678  1902.57  129.382  1782.73  259.742  1942.11  149.210   75.772   5.9354   81.135   3.1843 -5.362572 6.735579 
1 1 1    4   48  -13 o   41.417   6.7202  639.992  147.458  546.447  282.472  675.034  172.884   36.768   11.765   46.067   6.4980 -9.299046 13.44046 
1 1 1    4   49  -13 o   82.285   3.5705  2097.82  165.216  2072.44  263.702  2114.22  211.978   81.222   5.6215   83.347   4.4036 -2.125610 7.140997 
1 1 1    4    0  -14 o   77.749   2.2662  1741.42   91.404  1785.11  172.294  1724.31  107.828   78.340   3.8289   77.157   2.4252 -0.000000 0.000000 
1 1 1    4    1  -14 o   91.731   1.3864  2441.29   72.784  2339.05  109.288  2522.79   97.570   89.997   2.1026   93.466   1.8075 -3.468864 2.772734 
1 1 1    4    2  -14 o  720.621   3.0910 149984.30  1286.27 151161.91  1836.67 148850.80  1801.94  723.395   4.3961  717.847   4.3463 5.548645 6.181957 
1 1 1    4    3  -14 o  167.622   1.4083  8097.40  130.161  8170.42  220.131  8058.14  161.398  168.200   2.2661  167.044   1.6730 1.156509 2.816691 
1 1 1    4    4  -14 o  503.947   1.8384 73334.17  535.018 74159.20  762.992 72536.13  750.422  506.735   2.6071  501.159   2.5927 5.575653 3.676782 
1 1 1    4    5  -14 o  311.408   2.2266 28010.81  400.349 27889.20  572.085 28127.51  560.452  310.745   3.1877  312.071   3.1096 -1.326080 4.453154 
1 1 1    4    6  -14 o  108.614   1.4614  3398.70   91.326  3317.53  123.273  3497.45  135.968  107.180   1.9914  110.048   2.1393 -2.867470 2.922735 
1 1 1    4    7  -14 o  136.602   1.5643  5339.63  108.887  5285.20  126.662  5493.77  213.148  135.283   1.6211  137.921   2.6759 -2.637985 3.128639 
1 1 1    4    8  -14 o  221.362   1.7647 14124.67  209.478 14079.11  252.775 14224.54  374.285  220.798   1.9822  221.926   2.9202 -1.128159 3.529402 
1 1 1    4    9  -14 o  556.159   3.5510 89342.56  1140.61 89342.56  1140.61   0.0000   0.0000  556.159   3.5510  ?   ?       ?      ? 
1 1 1    4   10  -14 o  808.144   4.4289 189370.50  1938.94 186933.80  3381.07 190564.50  2366.79  804.146   7.2800  812.142   5.0459 -7.996338 8.857793 
1 1 1    4   11  -14 o  262.940   1.7590 19870.16  250.941 20250.98  439.788 19686.32  305.566  264.793   2.8758  261.087   2.0264 3.706116 3.518011 
1 1 1    4   12  -14 o  723.592   4.1090 151890.00  1617.94 153051.30  1984.23 149586.09  2794.86  727.830   4.7204  719.354   6.7272 8.475891 8.218069 
1 1 1    4   13  -14 o  131.279   1.4968  4930.46  105.461  4852.69  126.969  5103.50  189.384  129.628   1.6960  132.930   2.4668 -3.302429 2.993556 
1 1 1    4   14  -14 o  407.682   2.5295 48003.55  595.592   0.0000   0.0000 48003.55  595.592  ?   ?   407.682   2.5295      ?      ? 
1 1 1    4   15  -14 o  214.230   1.8696 13254.37  231.326 13254.37  231.326   0.0000   0.0000  214.230   1.8696  ?   ?       ?      ? 
1 1 1    4   16  -14 o  251.640   2.0609 18288.38  299.524 18288.38  299.524   0.0000   0.0000  251.640   2.0609  ?   ?       ?      ? 
1 1 1    4   17  -14 o  594.666   3.3351 102510.70  1068.06 101348.20  1884.33 103061.00  1296.42  592.084   5.5105  597.248   3.7584 -5.163635 6.670162 
1 1 1    4   18  -14 o  665.987   4.2041 128178.40  1617.04   0.0000   0.0000 128178.40  1617.04  ?   ?   665.987   4.2041      ?      ? 
1 1 1    4   19  -14 o  427.914   2.8190 52897.63  696.686   0.0000   0.0000 52897.63  696.686  ?   ?   427.914   2.8190      ?      ? 
1 1 1    4   20  -14 o  341.171   1.5169 33575.63  295.197 33335.21  387.509 33908.06  455.668  339.724   1.9750  342.617   2.3028 -2.893066 3.033728 
1 1 1    4   21  -14 o  201.491   1.2511 11737.10  132.854 11753.01  158.338 11699.28  244.194  201.730   1.3590  201.252   2.1009 0.4783478 2.502166 
1 1 1    4   22  -14 o  219.770   1.4516 13933.24  184.012 13606.46  252.826 14301.32  268.328  217.035   2.0170  222.505   2.0880 -5.470383 2.903150 
1 1 1    4   23  -14 o  600.126   2.6141 104018.90  872.244 103736.80  1093.66 104512.10  1445.90  599.104   3.1608  601.148   4.1646 -2.044250 5.228211 
1 1 1    4   24  -14 o  122.810   1.6162  4361.62  114.524  4203.96  163.372  4513.95  160.586  120.624   2.3451  124.995   2.2245 -4.371597 3.232306 
1 1 1    4   25  -14 o  192.167   1.8299 10667.44  191.939 10685.94  330.949 10658.06  235.611  192.268   2.9804  192.066   2.1240 0.2029877 3.659785 
1 1 1    4   26  -14 o  222.402   2.0606 14334.19  259.084 14127.11  409.237 14472.71  334.700  221.033   3.2058  223.772   2.5898 -2.739624 4.121168 
1 1 1    4   27  -14 o   78.134   2.4109  1741.10  105.237  1862.18  174.885  1672.36  131.762   80.218   3.7748   76.049   2.9999 4.168503 4.821700 
1 1 1    4   28  -14 o  273.845   1.7248 21706.93  263.184 21792.06  331.512 21561.83  432.824  274.608   2.0903  273.082   2.7443 1.526306 3.449697 
1 1 1    4   29  -14 o  173.519   1.7230  8684.57  165.894  8634.58  207.298  8773.60  276.654  172.852   2.0765  174.186   2.7500 -1.334763 3.445948 
1 1 1    4   30  -14 o   58.328   4.4659  1010.01  143.635  1064.22  181.118  918.117  235.792   60.552   5.1790   56.103   7.2771 4.449108 8.931868 
1 1 1    4   31  -14 o   50.003   3.4312  719.348   98.126  766.925  151.500  684.965  128.792   51.403   5.1031   48.603   4.5882 2.800598 6.862460 
1 1 1    4   32  -14 o   83.677   2.8820  2025.33  139.277   0.0000   0.0000  2025.33  139.277  ?   ?    83.677   2.8820      ?      ? 
1 1 1    4   33  -14 o  179.997   1.8515  9432.10  160.849  9255.93  337.090  9484.04  183.029  178.828   3.2638  181.166   1.7493 -2.337555 3.703027 
1 1 1    4   34  -14 o  107.823   1.6629  3365.25  103.399  3280.44  149.174  3443.67  143.451  106.510   2.4250  109.137   2.2759 -2.626701 3.325715 
1 1 1    4   35  -14 o   79.837   2.5157  1846.96  115.734  2014.72  165.384  1685.97  162.015   83.400   3.4336   76.275   3.6778 7.124222 5.031436 
1 1 1    4   36  -14 o  183.896   2.0668  9784.29  205.313  9773.16  249.517  9807.63  361.295  183.816   2.3503  183.976   3.4003 -0.1594849 4.133526 
1 1 1    4   37  -14 o  242.555   2.4179 17051.81  337.576 16983.87  458.522 17132.21  498.832  242.067   3.2797  243.043   3.5537 -0.9765625 4.835879 
1 1 1    4   38  -14 o   92.924   3.5311  2528.67  187.668  2593.75  250.548  2445.49  283.259   94.364   4.5973   91.485   5.3610 2.878410 7.062255 
1 1 1    4   39  -14 o  123.910   2.8446  4469.68  203.473  4475.56  292.325  4464.15  283.392  123.974   4.0827  123.846   3.9621 0.1281052 5.689162 
1 1 1    4   40  -14 o   77.471   3.7627  1748.47  168.355   0.0000   0.0000  1748.47  168.355  ?   ?    77.471   3.7627      ?      ? 
1 1 1    4   41  -14 o  139.685   2.4432  5741.89  193.326  5380.75  298.912  6001.60  253.480  135.732   3.8131  143.639   3.0555 -7.907089 4.886301 
1 1 1    4   42  -14 o  130.446   2.4588  4943.27  185.242   0.0000   0.0000  4943.27  185.242  ?   ?   130.446   2.4588      ?      ? 
1 1 1    4   43  -14 o  107.891   2.8802  3396.51  179.467   0.0000   0.0000  3396.51  179.467  ?   ?   107.891   2.8802      ?      ? 
1 1 1    4   44  -14 o   86.608   2.9966  2196.21  149.890   0.0000   0.0000  2196.21  149.890  ?   ?    86.608   2.9966      ?      ? 
1 1 1    4   45  -14 o   57.148   5.3488  1041.03  175.595  1043.90  261.675  1038.68  236.836   56.931   7.9584   57.365   7.1486 -0.4333611 10.69758 
1 1 1    4   46  -14 f   39.283   5.9627  477.913  135.278   0.0000   0.0000  477.913  135.278  ?   ?    39.283   5.9627      ?      ? 
1 1 1    4   47  -14 o   25.481   9.2750  212.593  176.871   0.0000   0.0000  212.593  176.871  ?   ?    25.481   9.2750      ?      ? 
1 1 1    4   48  -14 o   44.304   6.0255  631.893  136.491  802.393  263.672  569.481  159.528   46.464   10.113   42.144   6.5541 4.319885 12.05090 
1 1 1    4   49  -14 o   76.946   4.0243  1899.54  146.088  1818.98  307.104  1923.11  166.083   73.823   7.2030   80.070   3.5914 -6.247490 8.048668 
1 1 1    4    0  -15 o  687.603   4.3614 136570.09  1731.84   0.0000   0.0000 136570.09  1731.84  687.603   4.3614  687.603   4.3614 -0.000000 0.000000 
1 1 1    4    1  -15 o  818.677   4.6801 194078.50  2089.41 194870.50  2565.57 192518.70  3600.57  821.266   5.4090  816.087   7.6392 5.178955 9.360284 
1 1 1    4    2  -15 o  329.098   2.2187 31411.40  383.980 31598.46  457.458 30965.32  706.433  330.776   2.3946  327.421   3.7358 3.354431 4.437345 
1 1 1    4    3  -15 o  667.453   3.7036 128740.70  1347.49 128804.10  1652.38 128614.90  2328.14  667.753   4.2846  667.154   6.0422 0.5991821 7.407183 
1 1 1    4    4  -15 o  451.076   2.1110 58667.66  547.695 57723.91  739.065 59817.32  815.711  447.062   2.8624  455.090   3.1035 -8.028381 4.221976 
1 1 1    4    5  -15 o  534.892   3.0646 82795.37  885.539 82235.83  1555.06 83063.89  1077.27  533.519   5.0467  536.265   3.4782 -2.746338 6.129264 
1 1 1    4    6  -15 o  535.389   3.1011 83281.77  900.227 81410.70  1563.22 84210.20  1101.15  530.829   5.0989  539.949   3.5311 -9.120117 6.202236 
1 1 1    4    7  -15 o  358.906   2.1929 37056.61  426.219 37630.30  749.036 36781.90  518.313  360.940   3.5932  356.872   2.5147 4.068512 4.385782 
1 1 1    4    8  -15 o  459.190   2.5496 60648.38  632.371 61630.39  1117.07 60185.27  767.126  461.892   4.1875  456.488   2.9097 5.404053 5.099188 
1 1 1    4    9  -15 o  204.616   1.3121 12090.25  155.049 11989.62  218.142 12193.00  220.422  203.755   1.8537  205.476   1.8574 -1.720886 2.624170 
1 1 1    4   10  -15 o  401.648   2.5696 46612.56  595.800 46115.13  853.065 47086.29  832.490  399.553   3.6968  403.743   3.5702 -4.189606 5.139276 
1 1 1    4   11  -15 o  669.228   4.2120 129434.20  1627.90 131058.30  2313.85 127842.40  2290.72  673.385   5.9496  665.071   5.9637 8.314270 8.423994 
1 1 1    4   12  -15 o  311.029   1.9251 28004.98  324.194 27756.98  566.501 28125.75  395.329  309.992   3.1642  312.066   2.1934 -2.074127 3.850120 
1 1 1    4   13  -15 o   66.709   2.3338  1289.65   89.495  1336.13  122.159  1235.81  131.483   68.012   3.1100   65.407   3.4807 2.605415 4.667661 
1 1 1    4   14  -15 o  404.279   2.8705 47209.85  670.227 47209.85  670.227   0.0000   0.0000  404.279   2.8705  ?   ?       ?      ? 
1 1 1    4   15  -15 o  357.100   2.4786 36861.94  510.758 36238.47  734.036 37447.14  711.149  354.167   3.5886  360.032   3.4201 -5.865356 4.957298 
1 1 1    4   16  -15 o  461.535   2.2162 61535.49  589.464 61518.32  807.547 61555.07  862.410  461.472   3.0300  461.598   3.2349 -0.1259460 4.432321 
1 1 1    4   17  -15 o  166.093   1.2426  7951.70  118.420  7834.24  158.100  8101.82  178.733  164.700   1.6621  167.487   1.8477 -2.786545 2.485283 
1 1 1    4   18  -15 o  102.665   2.8060  3092.04  152.083  2931.86  275.089  3162.55  182.512  100.704   4.7298  104.626   3.0204 -3.922287 5.611930 
1 1 1    4   19  -15 o  471.926   2.2533 64353.26  613.308 64385.29  845.527 64317.70  890.951  472.057   3.1013  471.794   3.2698 0.2625427 4.506615 
1 1 1    4   20  -15 o  272.819   1.3783 21550.29  213.842 21198.80  331.390 21801.07  279.921  270.903   2.1181  274.736   1.7641 -3.833832 2.756528 
1 1 1    4   21  -15 o  166.413   1.3939  8047.14  117.518  8099.54  136.836  7899.87  229.401  167.463   1.4148  165.362   2.4020 2.100769 2.787706 
1 1 1    4   22  -15 f  371.958   1.5629 39920.02  319.585 39808.89  395.138 40130.19  543.425  371.234   1.8430  372.681   2.5247 -1.446686 3.125833 
1 1 1    4   23  -15 o  166.421   1.2429  7984.94  117.240  8079.92  184.977  7921.16  151.573  167.242   1.9151  165.601   1.5848 1.641602 2.485776 
1 1 1    4   24  -15 o  270.791   1.7748 21235.34  265.075 21038.05  445.897 21343.16  329.648  269.787   2.8617  271.795   2.1000 -2.008087 3.549582 
1 1 1    4   25  -15 o  254.248   1.5038 18676.32  220.466 18650.64  303.285 18705.09  321.044  254.067   2.0669  254.429   2.1848 -0.3622894 3.007559 
1 1 1    4   26  -15 o  188.792   2.0152 10295.52  219.482 10491.41  319.316 10120.09  302.182  190.488   2.9025  187.096   2.7965 3.392929 4.030496 
1 1 1    4   27  -15 o   97.433   2.6739  2806.40  115.507  2840.36  127.938  2656.69  268.629   99.136   2.2345   95.730   4.8587 3.405510 5.347879 
1 1 1    4   28  -15 o  147.873   2.4254  6321.05  207.137  6321.05  207.137   0.0000   0.0000  147.873   2.4254  ?   ?       ?      ? 
1 1 1    4   29  -15 f  210.763   1.8841 12841.96  228.966 12894.49  333.898 12795.34  314.578  211.162   2.7379  210.364   2.5892 0.7975922 3.768294 
1 1 1    4   30  -15 o   96.252   2.8534  2669.16  126.669  2708.33  284.727  2659.50  141.436   96.598   5.1036   95.906   2.5535 0.6923294 5.706724 
1 1 1    4   31  -15 o   84.896   3.2493  2070.71  145.131  2137.14  269.698  2043.64  172.187   85.773   5.4443   84.019   3.5485 1.754402 6.498606 
1 1 1    4   32  -15 o   36.540   6.0477  431.226  128.681  541.461  162.658  246.824  210.377   43.108   6.5333   29.972   10.179 13.13618 12.09538 
1 1 1    4   33  -15 o   92.421   2.4955  2496.38  128.605  2565.29  163.214  2383.53  208.864   94.155   3.0014   90.687   3.9878 3.468109 4.991087 
1 1 1    4   34  -15 o  121.148   2.6487  4351.71  159.800  4452.98  185.293  4057.75  315.688  124.074   2.5858  118.222   4.6235 5.852188 5.297471 
1 1 1    4   35  -15 o   87.006   3.2746  2230.79  126.734  2249.18  140.394  2149.86  294.551   88.159   2.7574   85.854   5.9404 2.305069 6.549179 
1 1 1    4   36  -15 o   99.824   3.5401  2918.51  202.440  2739.54  300.439  3067.34  273.974   96.944   5.3660  102.704   4.6189 -5.760612 7.080118 
1 1 1    4   37  -15 o   36.251   7.6460  392.395  167.197  360.334  209.085  449.258  278.453   34.282   9.9650   38.220   11.599 -3.937920 15.29202 
1 1 1    4   38  -15 o  111.045   2.7690  3502.27  166.203  3824.02  297.846  3356.77  200.286  114.534   4.5027  107.555   3.2243 6.979179 5.538065 
1 1 1    4   39  -15 o   31.567   6.3741  343.784  129.659   61.281  258.770  438.486  149.824   25.285   10.578   37.848   7.1153 -12.56276 12.74822 
1 1 1    4   40  -15 o   48.666   6.7842  748.095  183.780  668.695  254.038  835.277  266.197   45.774   9.8976   51.558   9.2810 -5.783756 13.56833 
1 1 1    4   41  -15 o   88.842   3.3498  2410.63  155.974  2110.79  278.289  2547.95  188.336   84.262   5.7184   93.421   3.4906 -9.158867 6.699624 
1 1 1    4   42  -15 o   67.984   4.8171  1406.17  189.011  1363.31  269.022  1447.95  265.614   66.884   6.9644   69.085   6.6570 -2.201706 9.634247 
1 1 1    4   43  -15 o   64.668   4.3126  1240.23  149.906  1359.69  270.569  1187.31  180.070   66.303   7.0658   63.033   4.9464 3.269520 8.625119 
1 1 1    4   44  -15 o   88.415   3.1059  2280.38  135.992  2433.63  278.815  2232.54  155.778   89.611   5.3873   87.219   3.0925 2.392189 6.211809 
1 1 1    4   45  -15 o   42.579   6.0275  550.839  121.229  716.084  267.759  508.232  135.962   44.511   10.573   40.646   5.7918 3.865055 12.05508 
1 1 1    4   46  -15 o   45.834   5.4680  645.491  144.745   0.0000   0.0000  645.491  144.745  ?   ?    45.834   5.4680      ?      ? 
1 1 1    4   47  -15 o   74.527   4.0441  1806.45  154.985  1531.72  279.058  1928.99  186.371   68.869   7.0160   80.185   4.0244 -11.31609 8.088233 
1 1 1    4   48  -15 o   47.797   5.8620  722.560  161.819   0.0000   0.0000  722.560  161.819  ?   ?    47.797   5.8620      ?      ? 
1 1 1    4    0  -16 f   92.695   2.4957  2469.56  129.528  2588.41  211.242  2397.95  163.970   94.429   3.8884   90.960   3.1296 -0.000000 0.000000 
1 1 1    4    1  -16 o  171.798   1.4549  8525.02  143.818  8538.97  195.209  8508.47  212.692  171.952   1.9657  171.644   2.1455 0.3086395 2.909836 
1 1 1    4    2  -16 o  363.941   2.1801 38252.87  430.721 38265.61  750.570 38246.61  525.940  363.974   3.5706  363.908   2.5024 0.6625366E-01 4.360153 
1 1 1    4    3  -16 o  227.277   2.0315 14918.75  266.660 14883.50  375.786 14954.51  378.456  227.006   2.8663  227.547   2.8798 -0.5407562 4.063083 
1 1 1    4    4  -16 f  271.683   1.9965 21316.24  312.761 21356.32  455.576 21280.51  430.141  271.924   2.9009  271.443   2.7438 0.4805298 3.992907 
1 1 1    4    5  -16 o   39.566   5.2428  466.913  115.338  454.093  159.859  480.833  166.574   38.992   7.3686   40.139   7.4600 -1.147362 10.48560 
1 1 1    4    6  -16 o  332.150   2.2593 31863.54  433.379 32033.12  617.267 31698.68  608.605  333.021   3.2093  331.279   3.1809 1.742371 4.518661 
1 1 1    4    7  -16 o  179.619   2.1144  9315.73  219.255  9226.47  305.036  9411.13  315.368  178.729   2.9551  180.508   3.0251 -1.778885 4.228896 
1 1 1    4    8  -16 o  244.672   2.0740 17288.73  293.002 16739.99  411.961 17850.48  416.818  240.743   2.9629  248.601   2.9031 -7.857986 4.148089 
1 1 1    4    9  -16 o  153.801   1.9920  6845.52  175.766  6711.94  262.863  6953.53  236.381  152.439   2.9857  155.162   2.6378 -2.723068 3.984024 
1 1 1    4   10  -16 o  153.033   2.2923  6764.12  202.475  6746.82  281.252  6782.72  291.720  152.831   3.1864  153.236   3.2963 -0.4045715 4.584580 
1 1 1    4   11  -16 o  324.175   1.9876 30313.66  356.252 30214.88  443.419 30493.51  598.329  323.442   2.3737  324.908   3.1886 -1.466156 3.975112 
1 1 1    4   12  -16 o  431.377   1.9049 53781.86  458.900 53878.01  579.566 53620.25  751.331  431.907   2.3234  430.847   3.0194 1.060059 3.809874 
1 1 1    4   13  -16 o  141.494   1.4934  5776.24  117.862  5805.60  193.931  5759.05  148.416  141.776   2.3684  141.212   1.8198 0.5637970 2.986818 
1 1 1    4   14  -16 o  244.180   1.4691 17222.11  207.167 17431.24  292.351 17011.18  293.611  245.669   2.0605  242.690   2.0948 2.978836 2.938301 
1 1 1    4   15  -16 o  339.097   1.7116 33219.98  335.149 33742.42  471.981 32688.63  475.988  341.788   2.3910  336.406   2.4499 5.381470 3.423289 
1 1 1    4   16  -16 o  107.619   1.9938  3376.12   97.077  3297.05  221.813  3394.85  107.966  106.819   3.5954  108.418   1.7242 -1.598915 3.987514 
1 1 1    4   17  -16 o  333.055   1.5780 32116.48  298.555 31614.84  464.448 32469.74  389.749  330.825   2.4308  335.285   2.0127 -4.460022 3.155946 
1 1 1    4   18  -16 o  375.841   2.1992 40803.06  477.372   0.0000   0.0000 40803.06  477.372  ?   ?   375.841   2.1992      ?      ? 
1 1 1    4   19  -16 o  290.966   1.3087 24456.41  219.840 24554.77  306.988 24352.88  314.967  291.568   1.8230  290.365   1.8782 1.203125 2.617440 
1 1 1    4   20  -16 o  245.094   1.2642 17301.19  169.485 17507.01  291.696 17196.29  208.243  246.182   2.0516  244.007   1.4777 2.174957 2.528349 
1 1 1    4   21  -16 o  113.026   1.9959  3700.83  117.557  3670.44  219.949  3712.98  139.090  112.683   3.3797  113.369   2.1243 -0.6863861 3.991876 
1 1 1    4   22  -16 o  144.617   1.4409  6085.57  114.743  6190.27  142.875  5895.38  192.574  146.391   1.6899  142.842   2.3343 3.548294 2.881779 
1 1 1    4   23  -16 o  360.088   1.6310 37412.85  332.195 37729.96  527.004 37203.79  427.914  361.330   2.5254  358.846   2.0647 2.484222 3.261987 
1 1 1    4   24  -16 o   36.537   4.3378  430.493   78.011  317.264  142.193  479.249   93.307   32.377   7.7140   40.696   3.9699 -8.319038 8.675617 
1 1 1    4   25  -16 o   86.661   2.9240  2216.19  123.104  2253.30  140.887  2096.41  253.132   88.285   2.7631   85.037   5.1541 3.248184 5.848080 
1 1 1    4   26  -16 o  110.657   1.5406  3535.79   93.588  3548.24  159.531  3529.25  115.562  110.791   2.4932  110.521   1.8104 0.2700500 3.081174 
1 1 1    4   27  -16 o  163.652   1.7194  7740.77  161.005  7732.65  213.609  7751.44  244.997  163.564   2.2612  163.740   2.5907 -0.1752014 3.438761 
1 1 1    4   28  -16 o   78.680   4.0563  1793.23  184.324   0.0000   0.0000  1793.23  184.324  ?   ?    78.680   4.0563      ?      ? 
1 1 1    4   29  -16 o  196.124   1.9616 11115.91  222.191 11115.91  222.191   0.0000   0.0000  196.124   1.9616  ?   ?       ?      ? 
1 1 1    4   30  -16 o  101.648   2.2127  2999.47  129.329  3119.20  177.054  2862.53  189.364  103.840   2.9523   99.455   3.2967 4.385399 4.425419 
1 1 1    4   31  -16 o   95.088   3.0193  2489.62  133.515  2846.36  305.298  2405.26  148.465   98.987   5.3403   91.189   2.8190 7.797394 6.038640 
1 1 1    4   32  -16 o   36.581   7.0894  442.885  158.065  546.722  188.378  195.850  290.559   42.547   7.9587   30.614   11.734 11.93243 14.17874 
1 1 1    4   33  -16 o  221.764   2.3607 14243.13  302.266 13847.54  427.372 14639.07  427.565  218.674   3.3839  224.854   3.2924 -6.179764 4.721354 
1 1 1    4   34  -16 o   82.110   3.6283  1954.01  172.063  1954.01  172.063   0.0000   0.0000   82.110   3.6283  ?   ?       ?      ? 
1 1 1    4   35  -16 o   62.151   4.4257  1064.88  126.108  1025.97  139.549  1238.17  294.511   59.451   4.0643   64.851   7.8633 -5.399391 8.851500 
1 1 1    4   36  -16 o   54.936   4.2183  884.959  130.351  892.029  166.874  873.893  208.772   55.301   5.2248   54.571   6.6241 0.7301140 8.436615 
1 1 1    4   37  -16 o   14.824   5.1014 -342.3865  139.892 -307.7793  194.389 -379.5623  201.474   15.067   7.2909   14.582   7.1373 0.4843893 10.20280 
1 1 1    4   38  -16 o   55.642   5.7334  965.535  161.498  1009.06  194.124  867.690  291.053   58.595   5.7363   52.689   9.9288 5.906494 11.46675 
1 1 1    4   39  -16 o   51.083   6.0849  778.505  155.588  857.080  301.942  750.099  181.546   51.851   10.444   50.315   6.2474 1.535492 12.16987 
1 1 1    4   40  -16 o   60.280   3.6060  1075.16  124.919  1196.03  176.707  954.405  176.618   63.750   4.7995   56.810   5.3830 6.939796 7.211928 
1 1 1    4   41  -16 o   25.256   6.6139  170.840  127.972  178.602  184.761  163.682  177.422   25.639   9.4570   24.873   9.2488 0.7657166 13.22787 
1 1 1    4   42  -16 o   27.867   7.2162  213.528  167.698 -17.7796  270.035  358.740  213.957   22.990   10.201   32.743   10.209 -9.752977 14.43248 
1 1 1    4   43  -16 o  113.930   2.7549  3897.89  165.283  3689.52  298.980  3989.60  198.348  111.123   4.6586  116.736   2.9420 -5.612679 5.509758 
1 1 1    4   44  -16 o   31.354   5.9838  156.932  181.733 -608.2173  272.784  767.559  243.688   15.273   7.6206   47.434   9.2275 -32.16008 11.96751 
1 1 1    4   45  -16 o   18.931   6.2581 -158.3102  157.280   9.7825  273.366 -241.4861  192.296   22.723   10.161   15.139   7.3078 7.584104 12.51617 
1 1 1    4   46  -16 o   99.160   2.8665  2931.91  156.106  2991.10  266.028  2900.82  192.788   99.370   4.6354   98.951   3.3734 0.4184189 5.732983 
1 1 1    4   47  -16 f   38.709   6.5021  593.119  129.440  421.537  284.267  638.000  145.387   32.197   11.752   45.221   5.5667 -13.02407 13.00417 
1 1 1    4   48  -16 f   19.588   6.4654 -150.2737  191.913 -436.7577  285.577   85.650  259.155   16.526   8.1677   22.651   10.025 -6.124624 12.93084 
1 1 1    4    0  -17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    1  -17 o  401.324   2.7424 46523.14  635.591 47287.49  902.790 45771.96  894.983  404.592   3.8635  398.055   3.8930 6.537323 5.484741 
1 1 1    4    2  -17 o  149.331   2.2258  6443.54  191.892  6317.17  273.378  6566.27  269.419  147.887   3.2007  150.776   3.0939 -2.888794 4.451639 
1 1 1    4    3  -17 o  345.118   2.4221 34390.51  482.682 35125.87  691.255 33690.79  674.292  348.717   3.4323  341.520   3.4186 7.197388 4.844292 
1 1 1    4    4  -17 o  315.225   2.2930 28695.96  417.255 28892.55  600.153 28512.02  580.513  316.269   3.2856  314.181   3.1992 2.087372 4.585905 
1 1 1    4    5  -17 o  518.734   3.4435 77750.30  1031.64 77474.42  1454.54 78029.57  1463.42  517.808   4.8637  519.659   4.8760 -1.851135 6.887063 
1 1 1    4    6  -17 o  223.279   1.8189 14334.15  226.684 14151.52  285.072 14648.22  373.837  221.358   2.2298  225.199   2.8743 -3.841263 3.637820 
1 1 1    4    7  -17 o  555.594   3.0845 89108.43  925.031 88966.09  1123.13 89408.63  1631.04  554.958   3.5042  556.231   5.0772 -1.273438 6.169048 
1 1 1    4    8  -17 o  162.238   1.5534  7615.85  145.087  7409.08  212.224  7797.29  198.800  160.166   2.2942  164.311   2.0949 -4.144592 3.106796 
1 1 1    4    9  -17 o  239.316   1.8950 16534.22  249.979 16569.10  422.313 16515.41  310.151  239.502   3.0531  239.129   2.2457 0.3724060 3.790071 
1 1 1    4   10  -17 o  171.352   1.6183  8486.30  160.038  8218.60  228.078  8745.94  224.617  168.687   2.3411  174.016   2.2350 -5.329071 3.236615 
1 1 1    4   11  -17 o   82.770   2.0326  1974.91   96.803  2023.53  143.958  1934.79  130.786   83.696   2.9781   81.843   2.7669 1.853951 4.065122 
1 1 1    4   12  -17 o  380.612   2.3147 41814.71  485.069 41731.66  600.914 41970.03  821.801  380.094   2.7374  381.129   3.7334 -1.035553 4.629453 
1 1 1    4   13  -17 o  114.939   1.7865  3860.21  106.239  3917.18  125.494  3716.10  199.593  116.460   1.8658  113.417   3.0471 3.042679 3.572912 
1 1 1    4   14  -17 o  185.513   1.5634  9939.52  167.456  9975.14  239.915  9905.68  233.839  185.836   2.2353  185.189   2.1863 0.6472015 3.126780 
1 1 1    4   15  -17 o  171.405   1.4179  8456.84  138.030  8643.05  216.897  8330.10  178.941  172.982   2.1710  169.828   1.8244 3.154343 2.835800 
1 1 1    4   16  -17 o  238.390   1.5046 16411.32  207.118 16231.69  289.437 16599.85  296.510  237.054   2.1141  239.726   2.1416 -2.672440 3.009287 
1 1 1    4   17  -17 o  261.834   1.3329 19914.60  188.121 19486.76  330.468 20119.71  228.813  259.730   2.2030  263.937   1.5010 -4.207092 2.665801 
1 1 1    4   18  -17 o  370.110   1.6904 39554.58  350.946 39651.72  568.861 39494.89  445.918  370.459   2.6588  369.762   2.0881 0.6962280 3.380703 
1 1 1    4   19  -17 o   87.926   1.6996  2231.14   83.409  2243.03  137.024  2224.15  105.130   88.107   2.6928   87.746   2.0745 0.3609238 3.399218 
1 1 1    4   20  -17 o  248.171   1.3964 17790.43  195.108 17797.32  313.052 17786.05  249.490  248.200   2.1839  248.142   1.7409 0.5822754E-01 2.792845 
1 1 1    4   21  -17 o  229.422   2.0025 15201.36  263.795 15312.29  395.615 15112.55  353.974  230.165   2.9761  228.679   2.6802 1.485840 4.005059 
1 1 1    4   22  -17 o  154.029   1.8826  6841.43  152.648  6894.63  281.883  6819.36  181.577  154.425   3.1606  153.633   2.0464 0.7918396 3.765233 
1 1 1    4   23  -17 f  165.365   1.3854  7932.25  126.993  8014.66  159.124  7787.69  210.759  166.565   1.6541  164.166   2.2229 2.399796 2.770805 
1 1 1    4   24  -17 o  245.558   1.7457 17347.38  206.367 17575.92  437.596 17282.01  234.026  246.531   3.0734  244.585   1.6567 1.946396 3.491469 
1 1 1    4   25  -17 o  182.463   1.4958  9601.30  142.747  9667.91  266.466  9574.49  169.050  182.877   2.5229  182.048   1.6078 0.8285370 2.991670 
1 1 1    4   26  -17 o  266.075   1.4867 20449.58  228.258 20698.33  330.725 20223.31  315.429  267.616   2.1398  264.535   2.0646 3.081177 2.973418 
1 1 1    4   27  -17 o  176.407   1.6994  9047.71  152.595  8887.15  295.719  9105.98  178.144  175.288   2.9211  177.526   1.7375 -2.237549 3.398749 
1 1 1    4   28  -17 o   56.888   4.4498  964.277  142.636  795.137  213.567  1100.47  191.644   52.219   7.0814   61.558   5.3905 -9.339066 8.899670 
1 1 1    4   29  -17 o  100.825   2.8952  2940.48  168.593  2940.48  168.593   0.0000   0.0000  100.825   2.8952  ?   ?       ?      ? 
1 1 1    4   30  -17 o   74.791   2.8189  1581.71  116.540  1493.72  143.403  1752.84  199.992   71.832   3.4567   77.750   4.4538 -5.917557 5.637790 
1 1 1    4   31  -17 o  136.224   2.3194  5287.27  148.226  5228.32  166.165  5516.90  327.962  134.488   2.1393  137.960   4.1161 -3.472427 4.638838 
1 1 1    4   32  -17 o  183.451   2.2596  9744.58  234.039  9752.39  300.921  9732.63  372.328  183.592   2.8380  183.310   3.5168 0.2818451 4.519130 
1 1 1    4   33  -17 o   77.617   3.7857  1811.56  152.325  1894.11  181.807  1617.13  279.028   80.823   3.8948   74.410   6.4928 6.412964 7.571404 
1 1 1    4   34  -17 o  102.422   1.9136  3031.03  112.411  3078.59  169.862  2993.96  149.942  103.123   2.8520  101.721   2.5523 1.402069 3.827295 
1 1 1    4   35  -17 o   46.556   4.7568  633.912  126.665  650.884  194.105  621.325  167.163   47.050   7.1432   46.062   6.2836 0.9876442 9.513569 
1 1 1    4   36  -17 o  126.345   2.9291  4642.98  213.727  4698.49  303.018  4588.02  301.498  127.100   4.1280  125.591   4.1566 1.509254 5.858142 
1 1 1    4   37  -17 o  154.043   2.2642  6940.10  184.186  7018.37  220.469  6759.23  335.128  155.658   2.4524  152.428   3.8068 3.230270 4.528352 
1 1 1    4   38  -17 f   44.446   6.7863  661.177  162.415  749.130  197.594  477.986  285.167   50.205   6.8146   38.686   11.738 11.51934 13.57258 
1 1 1    4   39  -17 o   88.643   3.4325  2402.27  150.543  2498.82  175.040  2127.92  295.058   92.637   3.2716   84.648   6.0353 7.988777 6.865062 
1 1 1    4   40  -17 o   63.655   4.6616  1222.82  160.182  1229.32  195.322  1209.46  279.926   64.387   5.2526   62.924   7.7027 1.462631 9.323133 
1 1 1    4   41  -17 o   67.218   5.1903  1322.61  196.461  1040.74  248.645  1790.99  320.522   58.114   7.4083   76.323   7.2714 -18.20913 10.38056 
1 1 1    4   42  -17 o   78.879   3.1435  1847.82  142.819  1880.26  210.551  1820.17  194.371   79.445   4.5889   78.313   4.2975 1.131973 6.286973 
1 1 1    4   43  -17 o   28.810   7.4224  214.024  157.230   96.698  191.325  458.087  275.946   22.330   9.1961   35.291   11.653 -12.96153 14.84479 
1 1 1    4   44  -17 o   90.154   3.7825  2413.89  196.944   0.0000   0.0000  2413.89  196.944  ?   ?    90.154   3.7825      ?      ? 
1 1 1    4   45  -17 o   42.767   7.9205  612.372  188.430   0.0000   0.0000  612.372  188.430  ?   ?    42.767   7.9205      ?      ? 
1 1 1    4   46  -17 o   86.944   4.2128  2391.60  209.380  2107.86  303.343  2649.80  289.366   81.372   6.4547   92.516   5.4156 -11.14373 8.425635 
1 1 1    4   47  -17 o   39.493   6.6615  535.582  124.604  646.974  293.242  511.038  137.649   38.877   11.924   40.108   5.9423 -1.230473 13.32307 
1 1 1    4    0  -18 o  399.672   2.7898 46118.35  643.588 47722.70  924.047 44606.88  896.901  406.420   3.9375  392.924   3.9532 -0.000000 0.000000 
1 1 1    4    1  -18 o  360.445   2.2984 37473.21  449.435 37366.96  548.073 37691.33  785.280  359.685   2.6383  361.205   3.7643 -1.519928 4.596834 
1 1 1    4    2  -18 o  862.989   3.6095 215251.20  1754.47 215334.80  2245.63 215120.09  2810.87  863.277   4.5040  862.700   5.6415 0.5764771 7.218935 
1 1 1    4    3  -18 o  356.370   2.2179 36672.62  429.943 36648.74  525.953 36720.74  746.439  356.213   2.5565  356.527   3.6251 -0.3145752 4.435879 
1 1 1    4    4  -18 o  342.138   2.5250 33809.81  498.940 33809.81  498.940   0.0000   0.0000  342.138   2.5250  ?   ?       ?      ? 
1 1 1    4    5  -18 o  241.273   1.5122 16809.24  210.640 16928.94  302.497 16696.56  293.486  242.106   2.1634  240.439   2.1135 1.666595 3.024392 
1 1 1    4    6  -18 o  514.732   1.9668 76533.30  584.655 77040.03  824.486 76020.75  829.188  516.447   2.7642  513.018   2.7986 3.429443 3.933555 
1 1 1    4    7  -18 o   61.070   3.2202  1111.96  107.367  965.360  177.650  1196.32  134.765   57.790   5.3226   64.350   3.6261 -6.559662 6.440429 
1 1 1    4    8  -18 o  337.944   1.7594 32987.35  343.375 33036.55  483.812 32937.41  487.419  338.198   2.4770  337.690   2.4992 0.5085144 3.518708 
1 1 1    4    9  -18 o  123.950   1.8375  4442.45  131.364  4552.18  182.587  4324.69  189.139  125.539   2.5183  122.360   2.6764 3.178970 3.674926 
1 1 1    4   10  -18 o  122.603   1.8973  4325.40  132.383  4437.28  206.753  4247.66  172.345  123.938   2.8884  121.267   2.4608 2.671326 3.794528 
1 1 1    4   11  -18 o   64.825   3.4460  1239.09  119.285  1281.47  144.875  1149.90  210.190   66.594   3.7668   63.056   5.7717 3.538391 6.892079 
1 1 1    4   12  -18 f   49.199   4.8355  710.693  134.815  639.133  205.445  764.812  178.663   46.980   7.5718   51.418   6.0164 -4.438374 9.671041 
1 1 1    4   13  -18 o  269.208   1.5582 20931.47  242.244 21103.06  345.070 20764.75  340.152  270.295   2.2105  268.120   2.1966 2.174927 3.116308 
1 1 1    4   14  -18 o  288.462   1.9475 23949.60  307.439 23760.78  377.764 24319.97  529.070  286.805   2.2806  290.119   3.1576 -3.314545 3.895036 
1 1 1    4   15  -18 o  344.376   1.7604 34261.85  350.109 34410.07  493.551 34111.73  496.722  345.127   2.4761  343.626   2.5029 1.500885 3.520730 
1 1 1    4   16  -18 o  287.783   2.2731 23935.62  377.568 23875.73  543.286 23991.56  525.101  287.431   3.2727  288.135   3.1555 -0.7041626 4.546168 
1 1 1    4   17  -18 o  421.116   2.2872 50962.36  480.620 51831.78  968.554 50678.34  553.586  423.397   3.9609  418.834   2.2885 4.562256 4.574486 
1 1 1    4   18  -18 o  300.596   1.4728 26142.61  251.565 26327.60  328.280 25879.43  391.560  301.897   1.8828  299.295   2.2652 2.601868 2.945528 
1 1 1    4   19  -18 o  178.352   1.3404  9200.62  134.771  9135.09  215.034  9243.00  172.956  177.821   2.0938  178.883   1.6741 -1.061371 2.680798 
1 1 1    4   20  -18 o  306.049   1.9990 27093.38  330.734 27132.37  402.436 27012.27  580.506  306.436   2.2739  305.661   3.2884 0.7756348 3.998005 
1 1 1    4   21  -18 o  192.745   1.3700 10731.33  152.491 10870.81  217.464 10596.41  213.889  193.977   1.9411  191.514   1.9338 2.463562 2.739956 
1 1 1    4   22  -18 o  270.991   1.2713 21213.68  198.952 21399.81  283.419 21032.86  279.347  272.163   1.8031  269.820   1.7926 2.342804 2.542543 
1 1 1    4   23  -18 o   88.290   2.1347  2267.40  105.143  2202.34  171.383  2306.66  133.143   87.252   3.4010   89.328   2.5807 -2.076447 4.269304 
1 1 1    4   24  -18 o  157.238   2.0240  7162.66  174.532  7106.97  297.276  7191.95  215.602  156.736   3.2840  157.739   2.3666 -1.003265 4.047921 
1 1 1    4   25  -18 o  367.709   1.4140 39028.94  295.743 39326.70  460.844 38820.46  385.625  368.878   2.1632  366.541   1.8216 2.336823 2.827987 
1 1 1    4   26  -18 o  113.130   2.2905  3776.51  113.988  3590.43  268.089  3817.57  125.940  111.322   4.1698  114.939   1.8972 -3.617493 4.581097 
1 1 1    4   27  -18 o  194.292   2.0203 10960.26  209.788 10807.28  375.079 11029.91  253.076  193.242   3.3607  195.342   2.2432 -2.099716 4.040624 
1 1 1    4   28  -18 o  146.537   2.0592  6188.92  164.221  6144.87  200.690  6278.19  285.695  145.792   2.3835  147.283   3.3587 -1.490891 4.118427 
1 1 1    4   29  -18 o  186.011   1.9364 10012.99  200.081 10028.46  250.838  9985.94  331.743  186.249   2.3319  185.774   3.0919 0.4749451 3.872721 
1 1 1    4   30  -18 o  103.043   3.4168  3074.09  203.343  3074.09  203.343   0.0000   0.0000  103.043   3.4168  ?   ?       ?      ? 
1 1 1    4   31  -18 o  122.372   2.0431  4333.13  144.391  4339.69  203.477  4326.47  204.928  122.467   2.8768  122.278   2.9018 0.1888123 4.086144 
1 1 1    4   32  -18 o   34.146   8.2588  324.861  195.858  325.008  275.752  324.711  278.235   34.126   11.654   34.166   11.706 -0.3925323E-01 16.51753 
1 1 1    4   33  -18 o  144.875   2.5023  6152.81  199.144  5855.30  334.181  6316.64  247.985  142.039   4.0737  147.710   2.9069 -5.670929 5.004505 
1 1 1    4   34  -18 o   95.594   2.6244  2652.12  144.712  2663.25  199.980  2639.90  209.672   95.817   3.6138   95.372   3.8066 0.4446487 5.248735 
1 1 1    4   35  -18 o   88.999   3.0538  2311.76  156.480  2440.65  217.249  2172.80  225.577   91.618   4.1058   86.381   4.5216 5.236557 6.107537 
1 1 1    4   36  -18 o  201.234   2.0343 11723.04  218.796 11692.69  263.390 11790.62  393.000  200.969   2.2693  201.499   3.3770 -0.5302277 4.068641 
1 1 1    4   37  -18 o   83.524   2.7753  2081.76  127.171  2205.54  159.730  1867.47  210.171   87.129   3.1742   79.919   4.5534 7.209892 5.550586 
1 1 1    4   38  -18 o  131.475   2.3582  4923.15  147.486  4841.50  166.028  5228.68  321.160  129.246   2.2242  133.705   4.1590 -4.459152 4.716411 
1 1 1    4   39  -18 o   72.827   4.0665  1577.97  167.223  1576.83  215.210  1579.72  265.656   73.023   5.1029   72.631   6.3330 0.3918076 8.133100 
1 1 1    4   40  -18 o   63.164   3.5579  1185.96  129.669  1190.33  179.736  1181.23  187.253   63.327   4.9143   63.002   5.1462 0.3249130 7.115764 
1 1 1    4   41  -18 o   87.138   3.1594  2215.02  152.842  2400.17  258.150  2115.10  189.656   89.594   4.9889   84.681   3.8779 4.913025 6.318810 
1 1 1    4   42  -18 o   65.888   5.6287  1320.89  214.191  1320.89  214.191   0.0000   0.0000   65.888   5.6287  ?   ?       ?      ? 
1 1 1    4   43  -18 o   35.195   6.4143  432.073  131.612  387.494  195.658  468.914  177.866   33.169   9.6392   37.221   8.4652 -4.051716 12.82867 
1 1 1    4   44  -18 o   24.458   7.5528   83.535  201.632  104.678  290.623   63.912  279.976   25.014   10.854   23.903   10.506 1.111675 15.10557 
1 1 1    4   45  -18 o   38.890   8.2745  600.870  207.024  774.076  299.264  441.912  286.692   44.441   11.553   33.339   11.849 11.10163 16.54898 
1 1 1    4   46  -18 o   30.666   8.5205  365.049  223.284  246.416  302.766  506.506  330.611   27.366   11.444   33.966   12.626 -6.600241 17.04100 
1 1 1    4   47  -18 o   42.784   8.3821  655.471  199.710   0.0000   0.0000  655.471  199.710  ?   ?    42.784   8.3821      ?      ? 
1 1 1    4    0  -19 o  105.899   2.7705  3204.95  159.770  3398.12  278.552  3110.24  195.043  108.182   4.4757  103.617   3.2666 -0.000000 0.000000 
1 1 1    4    1  -19 o  126.849   1.8934  4666.59  137.500  4493.85  206.494  4804.19  184.301  124.729   2.8665  128.969   2.4743 -4.239807 3.786725 
1 1 1    4    2  -19 o  140.918   1.5561  5735.88  126.637  5779.08  178.311  5691.91  179.883  141.453   2.1826  140.382   2.2187 1.071228 3.112289 
1 1 1    4    3  -19 o  568.633   2.6502 93459.35  869.840 92143.23  1246.31 94709.34  1214.58  564.723   3.8212  572.544   3.6731 -7.821472 5.300343 
1 1 1    4    4  -19 f  206.271   1.5514 12280.07  184.509 12144.05  253.015 12434.55  269.649  205.053   2.1365  207.489   2.2502 -2.436035 3.102869 
1 1 1    4    5  -19 o  169.640   1.7207  8313.08  168.566  8426.80  237.864  8198.36  238.917  170.806   2.4112  168.474   2.4554 2.331711 3.441396 
1 1 1    4    6  -19 o   34.392   7.2196  342.375  145.853  341.817  174.819  343.654  264.561   33.742   8.8582   35.042   11.403 -1.300213 14.43914 
1 1 1    4    7  -19 f  411.041   2.5276 48971.97  564.177 49276.95  690.227 48358.07  979.302  413.014   2.8936  409.067   4.1451 3.947388 5.055199 
1 1 1    4    8  -19 o   66.853   4.8222  1294.40  186.037  1336.89  261.051  1250.55  265.191   67.972   6.6498   65.733   6.9853 2.238602 9.644443 
1 1 1    4    9  -19 o  162.451   1.9636  7711.47  154.556  7786.58  176.334  7462.52  321.049  164.195   1.8595  160.708   3.4590 3.486404 3.927107 
1 1 1    4   10  -19 o  100.024   1.7464  2887.57  100.805  2832.26  139.326  2948.33  146.029   99.020   2.4363  101.027   2.5027 -2.007706 3.492715 
1 1 1    4   11  -19 f  286.211   1.4335 23591.71  232.575 24016.96  367.372 23307.28  300.449  288.351   2.2060  284.071   1.8313 4.280090 2.867043 
1 1 1    4   12  -19 o  200.777   1.7432 11674.56  192.167 11549.70  326.302 11740.86  237.774  199.941   2.8257  201.612   2.0420 -1.671326 3.486361 
1 1 1    4   13  -19 o  258.954   1.7746 19435.01  229.774 19498.04  265.500 19246.93  458.617  259.820   1.7693  258.087   3.0768 1.732941 3.549247 
1 1 1    4   14  -19 o  222.504   1.4586 14291.91  187.316 14538.78  270.713 14065.14  259.455  224.346   2.0893  220.663   2.0359 3.682755 2.917193 
1 1 1    4   15  -19 o  252.987   1.7322 18460.27  244.834 18370.59  308.919 18611.76  401.496  252.177   2.1211  253.797   2.7391 -1.619461 3.464339 
1 1 1    4   16  -19 o  134.835   1.4744  5259.11  109.090  5229.13  185.706  5274.90  134.800  134.533   2.3901  135.136   1.7272 -0.6036835 2.948823 
1 1 1    4   17  -19 o  146.049   2.4004  6192.25  199.667  6005.29  306.639  6329.87  263.082  144.113   3.6842  147.986   3.0781 -3.872803 4.800824 
1 1 1    4   18  -19 o  226.847   2.1125 14875.71  276.595 14912.94  384.635 14835.83  398.036  227.145   2.9320  226.549   3.0421 0.5960388 4.225042 
1 1 1    4   19  -19 o  199.287   1.8121 11453.25  197.261 11402.73  242.112 11553.01  340.214  198.660   2.1102  199.915   2.9466 -1.254257 3.624281 
1 1 1    4   20  -19 o  239.372   1.4723 16555.90  203.541 16563.65  286.936 16548.06  288.775  239.429   2.0750  239.315   2.0893 0.1136322 2.944650 
1 1 1    4   21  -19 o  203.651   1.1784 11990.46  138.211 11854.76  202.591 12108.60  189.032  202.569   1.7317  204.733   1.5987 -2.163971 2.356781 
1 1 1    4   22  -19 o   78.427   2.8287  1789.39  117.335  1759.12  213.525  1802.47  140.440   77.909   4.7455   78.945   3.0802 -1.036507 5.657465 
1 1 1    4   23  -19 o  347.139   1.6284 34682.72  317.103 35446.40  516.386 34220.39  401.781  350.157   2.5534  344.121   2.0216 6.036377 3.256824 
1 1 1    4   24  -19 o  154.985   1.6057  6950.36  142.836  7010.92  192.076  6875.43  213.642  155.750   2.1353  154.221   2.3986 1.529160 3.211360 
1 1 1    4   25  -19 o  170.039   1.3655  8352.54  130.746  8367.91  209.728  8342.76  167.215  170.154   2.1342  169.925   1.7039 0.2290344 2.730907 
1 1 1    4   26  -19 o  230.682   1.4052 15377.87  187.204 15502.30  265.825 15255.43  263.680  231.607   1.9873  229.756   1.9871 1.851578 2.810327 
1 1 1    4   27  -19 o  100.078   2.5967  2951.22  106.922  2827.33  273.684  2973.54  116.153   98.721   4.8001  101.435   1.9827 -2.713860 5.193499 
1 1 1    4   28  -19 o  283.429   2.0442 23115.31  312.412 23580.62  554.093 22898.45  378.272  285.422   3.3613  281.436   2.3272 3.985840 4.088337 
1 1 1    4   29  -19 o  129.156   1.9884  4822.99  147.851  4857.65  218.309  4793.63  200.953  129.576   2.9172  128.736   2.7028 0.8393555 3.976790 
1 1 1    4   30  -19 o  171.239   1.9310  8475.22  190.973  8475.22  190.973   0.0000   0.0000  171.239   1.9310  ?   ?       ?      ? 
1 1 1    4   31  -19 o   68.835   3.3809  1380.56  132.123  1354.75  205.713  1398.68  172.376   68.245   5.2192   69.424   4.2992 -1.178520 6.761858 
1 1 1    4   32  -19 o   87.562   3.8408  2269.16  174.284  2316.52  206.539  2152.04  324.789   89.350   4.0024   85.773   6.5564 3.576744 7.681509 
1 1 1    4   33  -19 o  142.543   2.8489  5883.86  234.535   0.0000   0.0000  5883.86  234.535  ?   ?   142.543   2.8489      ?      ? 
1 1 1    4   34  -19 o  129.110   2.8044  4793.68  194.410  4981.58  348.936  4709.10  234.113  130.780   4.6198  127.440   3.1808 3.340218 5.608884 
1 1 1    4   35  -19 o   28.308   6.4594  237.338  120.943  269.877  160.346  194.398  184.202   29.736   8.7505   26.879   9.5038 2.856833 12.91876 
1 1 1    4   36  -19 o  109.330   2.8836  3420.31  171.302  3299.56  207.750  3676.79  302.772  106.538   3.3764  112.122   4.6756 -5.584320 5.767265 
1 1 1    4   37  -19 o   92.968   2.3081  2542.94  120.871  2378.66  189.952  2654.72  156.686   90.330   3.6410   95.605   2.8377 -5.274887 4.616239 
1 1 1    4   38  -19 o  109.862   2.0163  3503.75  127.706  3618.59  187.369  3404.13  174.521  111.524   2.9090  108.200   2.7928 3.323738 4.032592 
1 1 1    4   39  -19 o   81.410   2.9102  1981.37  127.715  1857.06  221.164  2043.56  156.435   79.179   4.8364   83.641   3.2384 -4.462494 5.820439 
1 1 1    4   40  -19 o   64.006   4.8431  1220.88  179.032  1220.88  179.032   0.0000   0.0000   64.006   4.8431  ?   ?       ?      ? 
1 1 1    4   41  -19 o   96.549   3.3050  2834.90  166.779  2905.82  199.337  2669.43  304.503   99.340   3.4744   93.759   5.6233 5.580765 6.610088 
1 1 1    4   42  -19 f   92.586   3.6659  2664.05  169.209  2460.77  329.608  2736.80  197.174   88.948   6.4162   96.224   3.5480 -7.276726 7.331826 
1 1 1    4   43  -19 o   20.550   6.7807 -134.3639  198.363 -94.7356  273.499 -178.3444  288.126   20.903   9.6580   20.197   9.5200 0.7056198 13.56131 
1 1 1    4   44  -19 o  116.455   3.1275  4078.51  206.437  4154.28  325.498  4027.52  267.007  116.890   4.8215  116.021   3.9848 0.8697510 6.255021 
1 1 1    4   45  -19 o   58.519   5.0232  1151.22  154.832  1005.33  268.268  1224.09  189.598   54.096   8.5865   62.942   5.2156 -8.846107 10.04642 
1 1 1    4   46  -19 o   48.802   6.8863  938.335  170.850  761.535  314.151  1012.59  203.590   41.600   12.250   56.004   6.2944 -14.40441 13.77256 
1 1 1    4    0  -20 o  202.398   1.5504 11832.87  180.927 11875.92  263.178 11794.29  249.138  202.745   2.2482  202.052   2.1355 -0.000000 0.000000 
1 1 1    4    1  -20 o   75.541   2.4213  1628.90   98.722  1594.26  119.296  1704.16  175.846   74.289   2.7805   76.792   3.9649 -2.503510 4.842631 
1 1 1    4    2  -20 o  477.324   1.8716 65813.63  515.951 65575.91  727.193 66054.62  732.164  476.457   2.6427  478.192   2.6511 -1.735382 3.743234 
1 1 1    4    3  -20 o   16.807   5.1139 -29.2733   90.941   38.623  137.430 -82.1643  121.296   19.236   7.8429   14.378   6.5649 4.857474 10.22782 
1 1 1    4    4  -20 o  430.019   1.8184 53427.56  426.811 53380.45  735.451 53451.49  524.097  429.853   2.9624  430.185   2.1095 -0.3316345 3.636733 
1 1 1    4    5  -20 o  249.296   1.4057 18018.44  196.701 17656.83  316.454 18246.12  251.101  247.243   2.2162  251.348   1.7298 -4.104248 2.811309 
1 1 1    4    6  -20 o  240.286   1.4255 16666.71  195.224 16616.42  255.967 16736.64  301.848  239.857   1.8478  240.715   2.1712 -0.8578491 2.851027 
1 1 1    4    7  -20 o  233.439   1.5099 15736.63  203.432 15644.31  282.185 15836.54  293.546  232.727   2.0994  234.151   2.1707 -1.423523 3.019835 
1 1 1    4    8  -20 o  509.057   3.0251 75186.64  843.277 75786.30  1041.02 74042.23  1438.14  512.107   3.5198  506.007   4.9211 6.100861 6.050267 
1 1 1    4    9  -20 o  414.070   1.8153 49535.36  426.788 49554.04  554.982 49508.33  667.654  414.181   2.3201  413.959   2.7926 0.2219543 3.630624 
1 1 1    4   10  -20 o   97.067   2.8509  2766.49  141.304  2817.16  165.772  2631.83  270.234   98.743   2.9068   95.391   4.9051 3.352234 5.701724 
1 1 1    4   11  -20 o   42.714   5.1741  536.374  124.553  597.067  179.880  480.473  172.633   45.395   6.8610   40.032   7.7468 5.363525 10.34823 
1 1 1    4   12  -20 o  262.644   1.4457 20037.73  213.510 19427.77  340.916 20431.38  273.873  259.327   2.2762  265.961   1.7830 -6.634155 2.891395 
1 1 1    4   13  -20 o   93.451   2.2837  2554.21  114.315  2606.88  138.675  2442.51  201.933   94.988   2.5278   91.914   3.8040 3.073860 4.567302 
1 1 1    4   14  -20 o  414.853   1.8219 49711.76  431.418 49620.38  568.066 49836.31  663.143  414.422   2.3734  415.285   2.7649 -0.8631897 3.643842 
1 1 1    4   15  -20 o   68.292   2.6426  1350.72  103.539  1329.66  154.992  1367.69  139.139   67.805   3.9579   68.779   3.5028 -0.9740829 5.285285 
1 1 1    4   16  -20 o  203.644   1.3693 11983.05  154.274 11971.24  258.291 11989.60  192.355  203.554   2.1971  203.734   1.6348 -0.1795654 2.738537 
1 1 1    4   17  -20 o  262.675   1.5528 19928.67  235.141 20057.70  343.542 19814.94  322.531  263.471   2.2577  261.880   2.1325 1.590759 3.105569 
1 1 1    4   18  -20 o   37.279   4.3345  426.963   86.101  474.083  109.553  350.832  139.251   40.461   4.6882   34.097   7.2919 6.363415 8.668990 
1 1 1    4   19  -20 o   89.635   3.0225  2253.86  140.331  2168.25  163.827  2489.77  271.950   86.586   3.2761   92.685   5.0804 -6.098839 6.045074 
1 1 1    4   20  -20 o  396.140   1.9854 45368.47  454.208 45682.36  646.026 45061.64  638.729  397.494   2.8141  394.786   2.8014 2.707550 3.970721 
1 1 1    4   21  -20 o  378.172   2.1577 41163.52  410.165 40959.56  474.283 41768.59  816.901  376.467   2.1814  379.878   3.7234 -3.410461 4.315326 
1 1 1    4   22  -20 o  285.211   1.8621 23504.71  306.724 23504.71  306.724   0.0000   0.0000  285.211   1.8621  ?   ?       ?      ? 
1 1 1    4   23  -20 f  163.620   2.1305  7737.48  201.326   0.0000   0.0000  7737.48  201.326  ?   ?   163.620   2.1305      ?      ? 
1 1 1    4   24  -20 o  201.387   1.4840 11751.55  170.139 11540.21  262.569 11904.51  223.378  199.808   2.2753  202.967   1.9056 -3.159546 2.967905 
1 1 1    4   25  -20 o  154.418   2.0540  7003.74  138.423  6734.91  329.839  7061.21  152.502  152.507   3.7448  156.329   1.6891 -3.822418 4.108091 
1 1 1    4   26  -20 o  109.845   2.5643  3471.86  157.669  3407.42  198.867  3580.91  258.711  108.516   3.1731  111.175   4.0292 -2.659187 5.128681 
1 1 1    4   27  -20 o  329.133   1.6888 31311.31  320.977 31985.29  458.180 30661.78  449.797  332.611   2.3851  325.655   2.3915 6.955261 3.377611 
1 1 1    4   28  -20 o  136.574   1.6983  5389.42  133.885  5503.47  193.288  5284.23  185.629  137.960   2.4259  135.187   2.3775 2.772354 3.396685 
1 1 1    4   29  -20 o  130.552   1.7214  4932.48  126.862  4911.81  201.797  4945.99  163.130  130.305   2.6814  130.798   2.1595 -0.4930267 3.442882 
1 1 1    4   30  -20 o   44.474   6.2323  617.166  133.933  548.169  273.677  638.894  153.580   42.115   11.096   46.833   5.6780 -4.717987 12.46466 
1 1 1    4   31  -20 o   49.711   4.3376  726.402  112.390  710.733  209.111  732.766  133.276   49.208   7.3579   50.213   4.5957 -1.005054 8.675216 
1 1 1    4   32  -20 o   49.208   6.7912  724.686  174.380  709.084  208.225  761.323  319.083   49.097   7.3434   49.320   11.426 -0.2231255 13.58238 
1 1 1    4   33  -20 o  118.785   3.2673  4122.30  223.367  4458.87  313.274  3774.26  318.569  123.783   4.3821  113.786   4.8476 9.996307 6.534667 
1 1 1    4   34  -20 o   83.660   4.3341  2003.90  205.723  2345.85  330.857  1788.36  262.676   89.256   6.4183   78.064   5.8261 11.19122 8.668236 
1 1 1    4   35  -20 o   35.291   8.8177  389.917  179.209   0.0000   0.0000  389.917  179.209  ?   ?    35.291   8.8177      ?      ? 
1 1 1    4   36  -20 o   92.040   3.0241  2426.27  140.024  2584.00  281.277  2374.30  161.451   93.708   5.1972   90.372   3.0933 3.336472 6.048126 
1 1 1    4   37  -20 o   81.807   2.9413  1957.68  138.341  1922.86  186.273  2000.52  206.587   81.049   3.9794   82.566   4.3323 -1.517227 5.882548 
1 1 1    4   38  -20 f   91.552   2.9935  2454.19  134.531  2490.83  276.577  2442.84  153.974   91.544   5.2312   91.561   2.9117 -0.1663208E-01 5.986940 
1 1 1    4   39  -20 o   77.284   4.3563  1794.95  185.490  1757.07  229.442  1866.43  315.148   76.656   5.1825   77.911   7.0038 -1.254539 8.712693 
1 1 1    4   40  -20 o   22.476   6.8501   54.617  143.351   53.070  165.157   59.339  288.654   20.136   8.4390   24.817   10.793 -4.681803 13.70025 
1 1 1    4   41  -20 o   35.274   6.9084  429.913  146.158  526.659  219.075  352.310  196.207   38.759   9.7853   31.790   9.7546 6.968779 13.81677 
1 1 1    4   42  -20 o   16.966   5.4474 -56.1463  116.723 -150.8559  190.429   0.8511  147.728   16.442   7.7468   17.489   7.6606 -1.047190 10.89486 
1 1 1    4   43  -20 f   84.291   3.7224  2215.03  155.392  2256.30  180.185  2095.25  306.961   87.164   3.5793   81.419   6.5279 5.744797 7.444771 
1 1 1    4   44  -20 o   30.328   7.9697  351.771  197.294  179.449  315.835  462.045  252.654   26.454   11.397   34.201   11.144 -7.746727 15.93946 
1 1 1    4   45  -20 o   48.214   6.1041  850.819  156.057  950.675  198.473  689.098  252.578   54.358   6.3219   42.069   10.444 12.28915 12.20829 
1 1 1    4    0  -21 o  313.743   2.4743 28445.95  448.194 28432.78  630.150 28459.44  637.600  313.671   3.4794  313.815   3.5189 -0.000000 0.000000 
1 1 1    4    1  -21 o  286.474   1.8314 23803.72  266.014 23508.78  519.456 23908.56  309.705  285.239   3.1532  287.709   1.8638 -2.470459 3.662884 
1 1 1    4    2  -21 o  230.646   1.4163 15355.46  186.160 15428.09  287.997 15303.33  243.982  231.109   2.1577  230.182   1.8353 0.9274139 2.832629 
1 1 1    4    3  -21 o   61.605   3.9270  1098.90  138.795  1090.08  208.186  1105.96  186.218   61.375   5.8732   61.835   5.2144 -0.4593964 7.853927 
1 1 1    4    4  -21 o  124.882   1.6700  4525.81  116.300  4424.49  190.092  4586.43  147.029  123.754   2.6596  126.010   2.0203 -2.256195 3.339940 
1 1 1    4    5  -21 o  161.599   1.6121  7544.92  150.334  7577.41  208.699  7509.89  216.737  161.962   2.2311  161.236   2.3275 0.7254486 3.224125 
1 1 1    4    6  -21 o  129.493   1.4461  4842.93  108.144  4921.39  153.932  4766.47  151.965  130.529   2.0419  128.458   2.0483 2.070984 2.892235 
1 1 1    4    7  -21 o  186.445   1.5185 10041.13  163.219 10036.57  224.172 10046.28  238.112  186.401   2.0823  186.488   2.2108 -0.8654785E-01 3.037034 
1 1 1    4    8  -21 o   79.475   2.6121  1834.07  118.651  1764.37  179.381  1888.29  158.202   78.120   3.9758   80.830   3.3889 -2.709831 5.224128 
1 1 1    4    9  -21 o  536.162   2.8765 82514.40  774.383 84348.06  1547.84 81902.19  894.360  539.938   4.9636  532.387   2.9087 7.551270 5.753075 
1 1 1    4   10  -21 o  279.400   1.9426 22530.41  292.957 22482.58  355.646 22631.37  516.702  278.970   2.2074  279.830   3.1971 -0.8597107 3.885113 
1 1 1    4   11  -21 o   63.281   3.7290  1173.16  133.662  1079.68  205.643  1241.54  175.880   61.055   5.8319   65.507   4.6488 -4.452641 7.458060 
1 1 1    4   12  -21 o   79.640   3.7959  1829.05  173.949  1754.99  234.311  1919.97  259.637   77.858   5.2108   81.422   5.5213 -3.564461 7.591890 
1 1 1    4   13  -21 o  292.059   1.6508 24641.27  278.325 24776.84  400.333 24514.44  387.217  292.834   2.3671  291.283   2.3017 1.550171 3.301674 
1 1 1    4   14  -21 o  225.481   1.4033 14700.57  179.371 14621.86  281.686 14754.25  232.633  224.963   2.1680  225.998   1.7823 -1.035141 2.806606 
1 1 1    4   15  -21 o  215.838   1.4847 13461.46  185.056 13312.30  262.771 13608.23  260.660  214.651   2.1196  217.025   2.0796 -2.374893 2.969433 
1 1 1    4   16  -21 o  138.903   2.2591  5512.37  167.645  5753.56  304.162  5407.12  200.919  141.025   3.7344  136.780   2.5434 4.245361 4.518261 
1 1 1    4   17  -21 o  174.247   1.5035  8734.77  147.973  8593.25  189.615  8955.21  236.642  172.461   1.9037  176.033   2.3276 -3.572449 3.006973 
1 1 1    4   18  -21 o  262.794   1.8636 20057.51  239.083 19788.65  493.706 20139.88  273.261  261.563   3.2682  264.025   1.7920 -2.461670 3.727260 
1 1 1    4   19  -21 o  235.464   1.3015 15949.25  170.400 15764.07  213.207 16276.68  283.509  233.597   1.5803  237.330   2.0684 -3.732895 2.603004 
1 1 1    4   20  -21 o  296.248   1.5172 25343.50  252.690 25452.43  407.395 25275.39  322.145  296.737   2.3772  295.758   1.8859 0.9796753 3.034416 
1 1 1    4   21  -21 o  218.057   1.5386 13738.80  193.287 13686.62  263.992 13799.11  283.779  217.618   2.1004  218.497   2.2488 -0.8795166 3.077162 
1 1 1    4   22  -21 o   71.358   2.8121  1487.56  109.885  1516.06  136.075  1434.15  186.302   72.384   3.2550   70.331   4.5865 2.052376 5.624160 
1 1 1    4   23  -21 o  158.499   1.5001  7265.28  137.105  7176.84  198.828  7345.46  189.312  157.575   2.1848  159.423   2.0561 -1.848801 3.000114 
1 1 1    4   24  -21 o   98.223   1.5944  2792.04   90.292  2724.17  130.600  2854.19  124.971   97.075   2.3294   99.371   2.1775 -2.296219 3.188727 
1 1 1    4   25  -21 o  176.929   1.5016  9055.27  144.558  9026.41  250.529  9069.68  176.994  176.690   2.4551  177.168   1.7298 -0.4780579 3.003235 
1 1 1    4   26  -21 o  154.604   1.6180  6923.71  135.690  6870.33  236.303  6949.98  165.739  154.128   2.6546  155.079   1.8505 -0.9512939 3.235933 
1 1 1    4   27  -21 o  143.090   1.8846  5966.84  138.890  5823.08  263.735  6022.02  163.382  141.834   3.2196  144.345   1.9598 -2.510590 3.769176 
1 1 1    4   28  -21 o   84.697   2.5911  2074.99  126.749   0.0000   0.0000  2074.99  126.749  ?   ?    84.697   2.5911      ?      ? 
1 1 1    4   29  -21 o   85.107   3.1190  2102.34  152.467  2097.95  205.068  2107.77  227.992   85.031   4.1757   85.183   4.6343 -0.1516418 6.238047 
1 1 1    4   30  -21 o   61.781   5.6379  1113.02  201.167  1113.02  201.167   0.0000   0.0000   61.781   5.6379  ?   ?       ?      ? 
1 1 1    4   31  -21 o   53.756   6.5616  847.094  203.712  847.094  203.712   0.0000   0.0000   53.756   6.5616  ?   ?       ?      ? 
1 1 1    4   32  -21 o  242.617   1.7592 17036.76  245.632 16992.37  333.458 17089.42  363.197  242.296   2.3829  242.937   2.5886 -0.6404572 3.518398 
1 1 1    4   33  -21 o   59.274   5.2349  1006.16  173.551  1182.41  291.896  909.779  215.847   63.020   8.0198   55.527   6.7307 7.493504 10.46989 
1 1 1    4   34  -21 o  149.412   2.9346  6525.68  252.636  6158.68  362.432  6872.53  352.344  145.255   4.3203  153.569   3.9726 -8.314392 5.869112 
1 1 1    4   35  -21 o   66.679   4.8019  1396.47  170.295  1115.58  286.637  1549.71  211.710   60.748   8.1698   72.610   5.0484 -11.86200 9.603778 
1 1 1    4   36  -21 o  132.251   2.6436  5050.44  186.230  4956.13  222.805  5269.06  339.232  130.520   2.9557  133.983   4.3839 -3.462738 5.287246 
1 1 1    4   37  -21 o   84.483   4.1416  2098.30  202.080  2098.30  202.080   0.0000   0.0000   84.483   4.1416  ?   ?       ?      ? 
1 1 1    4   38  -21 o   59.727   5.7337  1074.05  197.785  1074.05  197.785   0.0000   0.0000   59.727   5.7337  ?   ?       ?      ? 
1 1 1    4   39  -21 o   35.288   7.1151  453.712  160.522  262.318  266.082  563.227  201.273   29.381   11.237   41.195   8.7310 -11.81365 14.23021 
1 1 1    4   40  -21 o  103.355   3.5331  3222.48  210.862  3139.91  296.401  3307.09  300.041  101.983   5.0323  104.727   4.9606 -2.744286 7.066260 
1 1 1    4   41  -21 o   69.030   4.1493  1427.78  142.441  1557.92  290.128  1386.45  163.503   69.935   7.1831   68.125   4.1556 1.809341 8.298531 
1 1 1    4   42  -21 o   28.699   6.9516  289.118  138.782  286.135  195.696  292.136  196.844   28.580   9.8160   28.819   9.8460 -0.2385330 13.90315 
1 1 1    4   43  -21 o   37.841   6.6833  591.433  150.490  689.019  173.897  300.363  300.329   46.541   6.4695   29.140   11.697 17.40069 13.36665 
1 1 1    4   44  -21 o   78.328   4.3532  1940.91  195.990  2134.16  295.344  1788.85  261.987   81.652   6.2629   75.003   6.0480 6.648895 8.706479 
1 1 1    4    0  -22 o   99.710   3.2710  2881.40  187.905   0.0000   0.0000  2881.40  187.905   99.710   3.2710   99.710   3.2710 -0.000000 0.000000 
1 1 1    4    1  -22 o   97.064   1.7861  2721.09  100.100  2759.23  143.480  2684.93  139.720   97.726   2.5421   96.402   2.5095 1.324257 3.572117 
1 1 1    4    2  -22 o  266.667   1.5983 20552.37  245.673 20390.01  358.096 20696.73  337.671  265.668   2.3339  267.666   2.1843 -1.997711 3.196577 
1 1 1    4    3  -22 o  182.487   1.5216  9630.00  160.059  9798.82  220.762  9442.90  232.402  184.177   2.0754  180.797   2.2257 3.380371 3.043185 
1 1 1    4    4  -22 o  442.984   2.1300 56711.69  544.857 56490.40  776.526 56926.28  764.697  442.129   3.0410  443.838   2.9832 -1.708618 4.259961 
1 1 1    4    5  -22 o   97.067   2.0562  2698.10  110.966  2812.44  185.577  2634.47  138.443   98.645   3.2573   95.490   2.5103 3.155266 4.112417 
1 1 1    4    6  -22 o   99.731   2.0749  2862.40  119.256  2682.41  162.435  3072.85  175.647   96.345   2.9192  103.118   2.9493 -6.772881 4.149742 
1 1 1    4    7  -22 o   30.305   6.1786  274.708  118.657  166.202  177.783  361.870  159.341   25.999   9.3213   34.611   8.1126 -8.612177 12.35723 
1 1 1    4    8  -22 o  184.658   1.8101  9909.41  150.325  9943.42  166.799  9762.31  346.902  185.542   1.5566  183.774   3.2684 1.767899 3.620148 
1 1 1    4    9  -22 o  226.182   1.8296 14807.94  223.218 14712.16  393.116 14853.52  271.174  225.615   3.0169  226.749   2.0707 -1.134537 3.659199 
1 1 1    4   10  -22 o  309.599   2.0303 27773.37  341.000 27496.51  593.440 27909.84  416.655  308.398   3.3318  310.799   2.3212 -2.400970 4.060646 
1 1 1    4   11  -22 o  171.515   1.5625  8506.15  154.655  8263.82  221.087  8738.35  216.418  169.118   2.2635  173.911   2.1547 -4.792419 3.125090 
1 1 1    4   12  -22 o  104.955   2.1693  3189.44  130.903  3240.04  177.691  3129.39  193.578  105.872   2.9060  104.037   3.2217 1.835365 4.338675 
1 1 1    4   13  -22 o  212.292   1.2327 13020.77  151.071 12969.42  216.779 13069.25  210.645  211.884   1.7715  212.700   1.7147 -0.8165894 2.465453 
1 1 1    4   14  -22 o   22.245   6.7382 -16.9422  144.013 -49.6139  173.413   55.665  258.515   18.713   8.2452   25.777   10.660 -7.064289 13.47649 
1 1 1    4   15  -22 o   65.684   2.5863  1248.58   95.680  1246.85  153.265  1249.68  122.478   65.632   4.0433   65.735   3.2261 -0.1025009 5.172628 
1 1 1    4   16  -22 f   35.713   6.7530  400.471  126.937  304.792  276.469  426.029  142.888   33.718   11.662   37.707   6.8120 -3.988792 13.50596 
1 1 1    4   17  -22 o   93.502   2.5435  2510.17  133.991  2443.06  170.527  2618.47  216.623   91.901   3.2128   95.102   3.9439 -3.201141 5.086935 
1 1 1    4   18  -22 o  214.237   2.0359 13302.91  236.701 13360.79  289.282 13185.67  411.738  214.997   2.3297  213.477   3.3395 1.520020 4.071853 
1 1 1    4   19  -22 o  191.442   1.9360 10559.57  207.476 10444.16  262.175 10752.95  339.377  190.079   2.3882  192.805   3.0477 -2.726456 3.871991 
1 1 1    4   20  -22 f  162.598   2.1404  7729.92  185.324  7864.70  223.555  7433.80  331.366  164.944   2.3467  160.251   3.5803 4.693069 4.280869 
1 1 1    4   21  -22 o  144.372   1.5097  5974.34  119.474  6181.71  205.808  5868.94  146.728  146.227   2.4370  142.518   1.7826 3.709152 3.019361 
1 1 1    4   22  -22 o  155.903   1.2484  7011.52  111.813  6913.82  150.085  7133.38  167.618  154.689   1.6799  157.117   1.8472 -2.427856 2.496850 
1 1 1    4   23  -22 o  159.566   1.5466  7367.19  139.727  7321.18  220.216  7398.20  180.777  159.133   2.3961  159.999   1.9563 -0.8657227 3.093285 
1 1 1    4   24  -22 o   46.770   4.5579  632.109  122.620  700.255  183.426  577.050  164.876   49.029   6.4778   44.511   6.4137 4.517799 9.115768 
1 1 1    4   25  -22 o  279.609   2.1410 22602.01  318.532 22674.32  576.511 22570.23  382.160  279.821   3.5673  279.397   2.3683 0.4239197 4.281903 
1 1 1    4   26  -22 o   81.882   2.9838  1873.10  114.391  2067.46  257.088  1825.13  127.731   84.336   5.2782   79.427   2.7845 4.908577 5.967600 
1 1 1    4   27  -22 o   67.476   3.5202  1326.07  132.417  1334.46  167.065  1311.88  217.171   67.821   4.2652   67.131   5.6013 0.6895905 7.040378 
1 1 1    4   28  -22 o   40.297   5.1758  490.824  114.189  512.764  146.542  456.909  182.194   41.921   6.0526   38.673   8.3978 3.248386 10.35167 
1 1 1    4   29  -22 o  133.728   2.8147  5213.07  197.535  5245.66  235.084  5134.77  364.350  134.584   3.0244  132.872   4.7479 1.711853 5.629361 
1 1 1    4   30  -22 o   26.421   7.3608  128.958  165.087  186.746  205.962   25.118  276.092   27.390   10.003   25.452   10.802 1.937859 14.72168 
1 1 1    4   31  -22 o  188.923   2.0443 10309.46  215.760 10212.66  271.926 10473.97  354.500  187.811   2.5069  190.035   3.2300 -2.223358 4.088693 
1 1 1    4   32  -22 o  108.445   3.1376  3404.77  188.144  3512.70  317.618  3346.43  233.524  109.614   5.0171  107.275   3.7692 2.339272 6.275196 
1 1 1    4   33  -22 o  122.985   2.7178  4402.02  179.245  4415.87  319.582  4395.67  216.504  122.928   4.5014  123.041   3.0467 -0.1125183 5.435506 
1 1 1    4   34  -22 o  154.729   2.4423  7057.55  182.596  6814.24  379.882  7130.66  208.227  152.612   4.3100  156.846   2.2987 -4.234634 4.884656 
1 1 1    4   35  -22 o  135.682   1.8075  5324.18  137.802  5252.83  175.113  5440.23  223.328  134.578   2.2530  136.786   2.8269 -2.208878 3.614901 
1 1 1    4   36  -22 o   50.507   6.4610  873.937  155.388  938.798  180.574  688.849  305.036   56.108   5.5725   44.906   11.659 11.20169 12.92198 
1 1 1    4   37  -22 o  127.761   2.7502  4725.55  187.435  4600.23  224.189  5016.58  341.636  125.443   3.0944  130.080   4.5475 -4.636864 5.500449 
1 1 1    4   38  -22 o   26.261   7.6791  123.530  196.909  257.881  272.725 -22.7725  284.596   29.379   11.341   23.142   10.357 6.236797 15.35825 
1 1 1    4   39  -22 o   26.438   6.9966  190.941  163.632 -83.6394  272.543  345.707  204.615   21.350   9.7826   31.527   10.006 -10.17786 13.99321 
1 1 1    4   40  -22 o   24.699   7.4130   94.771  174.771   27.876  214.078  228.454  302.632   21.138   9.2413   28.260   11.594 -7.121857 14.82605 
1 1 1    4   41  -22 o   93.020   3.7710  2564.88  184.126  2867.53  347.596  2446.84  217.085   95.656   6.2918   90.383   4.1587 5.273628 7.541997 
1 1 1    4   42  -22 o   55.180   4.8982  1004.59  144.869  1308.44  204.434  698.107  205.322   65.053   5.4413   45.307   8.1462 19.74639 9.796342 
1 1 1    4   43  -22 o   34.143   6.0946  415.873  115.324  418.416  203.065  414.663  140.112   33.193   9.8679   35.093   7.1556 -1.899918 12.18924 
1 1 1    4   44  -22 o   41.244   7.7149  682.590  174.807  748.527  333.467  657.604  205.272   39.882   12.785   42.607   8.6376 -2.725018 15.42972 
1 1 1    4    0  -23 o   7.6842   4.0526 -727.6185  142.709 -628.3217  170.030 -964.2939  262.504   6.8450   5.0757   8.5233   6.3192 -0.000000 0.000000 
1 1 1    4    1  -23 o  264.113   1.7886 20291.97  238.872 20439.73  277.913 19874.07  467.365  266.006   1.8090  262.220   3.0861 3.785797 3.577173 
1 1 1    4    2  -23 o   28.048   5.7529  225.443   99.379  169.611  132.251  297.862  150.621   24.656   8.0639   31.439   8.2072 -6.783304 11.50585 
1 1 1    4    3  -23 o  150.625   1.5156  6529.99  131.215  6795.56  196.963  6318.08  175.942  153.366   2.2237  147.885   2.0600 5.481049 3.031204 
1 1 1    4    4  -23 o   49.271   3.5144  728.172   95.663  600.516  151.399  813.010  123.423   45.526   5.7581   53.017   4.0308 -7.491032 7.028751 
1 1 1    4    5  -23 o   99.289   2.0289  2847.58  116.273  2804.80  161.208  2893.97  167.864   98.513   2.8334  100.064   2.9046 -1.551559 4.057722 
1 1 1    4    6  -23 o   78.977   2.2422  1806.39  101.594  1833.13  136.615  1773.30  151.958   79.637   2.9703   78.316   3.3596 1.320610 4.484360 
1 1 1    4    7  -23 o  222.643   1.5854 14322.78  203.855 14386.96  287.653 14258.04  288.941  223.145   2.2320  222.142   2.2521 1.003159 3.170802 
1 1 1    4    8  -23 o  169.879   1.5253  8358.40  149.082  8074.06  218.391  8606.53  204.012  167.163   2.2621  172.596   2.0466 -5.433304 3.050526 
1 1 1    4    9  -23 o   51.574   3.0432  767.582   90.011  751.646  119.825  788.221  136.364   50.967   4.0707   52.180   4.5249 -1.212967 6.086458 
1 1 1    4   10  -23 o   32.686   5.7880  339.499  107.537  242.517  184.006  389.804  132.525   29.288   9.5085   36.083   6.6025 -6.795536 11.57606 
1 1 1    4   11  -23 o  159.930   1.9015  7408.30  148.583  7421.53  169.788  7365.05  307.043  160.277   1.8342  159.583   3.3314 0.6941681 3.802977 
1 1 1    4   12  -23 o  116.089   1.7989  3877.14  119.470  4023.13  183.406  3769.54  157.459  117.972   2.6918  114.206   2.3872 3.766106 3.597881 
1 1 1    4   13  -23 o  235.353   1.5876 16011.74  215.692 15865.00  309.181 16150.86  301.051  234.299   2.2848  236.407   2.2049 -2.107834 3.175251 
1 1 1    4   14  -23 o  193.964   2.0097 10949.21  202.685 10714.45  379.258 11043.06  239.803  192.444   3.4123  195.484   2.1240 -3.039993 4.019354 
1 1 1    4   15  -23 o  201.756   1.7280 11842.93  173.346 11616.02  347.989 11917.81  199.914  200.411   3.0065  203.102   1.7043 -2.691406 3.455948 
1 1 1    4   16  -23 f  163.517   1.7092  7719.31  161.252  7939.17  234.406  7521.79  222.174  165.722   2.4491  161.311   2.3848 4.410538 3.418338 
1 1 1    4   17  -23 o  297.556   1.5537 25624.63  264.077 25826.43  349.348 25355.58  403.373  298.945   2.0234  296.168   2.3582 2.777466 3.107301 
1 1 1    4   18  -23 o  297.759   2.1119 25720.26  347.207 25390.89  582.088 25902.17  432.590  296.200   3.4027  299.318   2.5024 -3.117889 4.223758 
1 1 1    4   19  -23 o   12.019   4.2588 -489.5748  123.977 -575.7790  195.712 -431.7985  160.224   12.419   6.2338   11.619   5.8041 0.7997351 8.517524 
1 1 1    4   20  -23 o   62.797   3.4337  1140.75  124.245  1256.22  180.637  1037.06  171.164   65.810   4.7526   59.783   4.9573 6.027287 6.867464 
1 1 1    4   21  -23 f  159.534   1.6458  7332.19  150.547  7562.29  228.484  7155.66  200.132  161.730   2.4461  157.339   2.2024 4.390472 3.291525 
1 1 1    4   22  -23 o  401.798   2.5344 46490.52  555.083 47507.92  964.183 45986.15  678.869  404.897   4.1232  398.700   2.9482 6.196594 5.068746 
1 1 1    4   23  -23 o   69.020   3.8308  1395.55  151.454  1246.76  220.243  1529.03  208.607   65.468   5.8249   72.573   4.9770 -7.104607 7.661619 
1 1 1    4   24  -23 o   20.344   6.5871 -166.9525  174.836 -331.2842  286.371 -69.3025  220.752   19.825   9.3886   20.863   9.2420 -1.038418 13.17428 
1 1 1    4   25  -23 o   71.766   3.2030  1499.26  132.338  1385.60  189.243  1608.03  185.133   69.078   4.7434   74.453   4.3054 -5.374466 6.406005 
1 1 1    4   26  -23 o   98.283   2.1380  2805.53  118.997  2747.73  186.675  2845.09  154.445   97.402   3.3184   99.163   2.6967 -1.760132 4.276013 
1 1 1    4   27  -23 o  106.137   2.0241  3286.30  118.806  3171.14  197.280  3351.83  148.818  104.628   3.2648  107.646   2.3937 -3.017807 4.048272 
1 1 1    4   28  -23 o  104.347   2.7570  3043.68  134.655  3361.57  302.740  2965.28  150.346  107.471   4.8775  101.223   2.5717 6.247398 5.513929 
1 1 1    4   29  -23 o  157.820   1.7945  7219.66  162.744  7311.64  220.199  7108.92  241.597  158.950   2.3987  156.691   2.6697 2.259338 3.589002 
1 1 1    4   30  -23 o   88.514   2.4978  2238.81  124.520  2432.92  203.141  2121.98  157.599   91.495   3.8443   85.533   3.1903 5.961578 4.995655 
1 1 1    4   31  -23 o   28.914   7.2436  192.954  137.059  143.073  159.231  335.599  269.267   23.990   8.7899   33.838   11.516 -9.847988 14.48717 
1 1 1    4   32  -23 o   91.628   3.2301  2451.37  147.411  2447.66  169.932  2462.64  296.310   91.779   3.2059   91.476   5.6086 0.3031464 6.460155 
1 1 1    4   33  -23 o  100.108   2.4413  2917.81  135.278  2914.60  168.773  2923.59  226.239  100.154   2.9177  100.062   3.9148 0.9195709E-01 4.882528 
1 1 1    4   34  -23 o  148.913   2.4318  6436.84  209.142   0.0000   0.0000  6436.84  209.142  ?   ?   148.913   2.4318      ?      ? 
1 1 1    4   35  -23 o   40.762   5.6124  534.318  123.769  469.932  203.938  571.860  155.726   37.905   9.3692   43.618   6.1817 -5.713463 11.22477 
1 1 1    4   36  -23 o  126.728   1.9572  4700.74  139.037  4612.06  224.383  4756.01  177.143  125.598   3.0933  127.857   2.3989 -2.258713 3.914496 
1 1 1    4   37  -23 o   18.128   5.8585 -99.4229  138.902 -16.3130  197.934 -180.0652  194.974   19.805   8.7633   16.451   7.7777 3.353670 11.71701 
1 1 1    4   38  -23 o   75.212   3.7778  1704.68  156.176  1754.87  265.973  1678.27  192.941   75.500   6.0997   74.923   4.4588 0.5765839 7.555612 
1 1 1    4   39  -23 o   36.882   6.8694  508.631  156.362  641.722  202.590  312.536  245.910   43.765   8.3191   29.999   10.934 13.76674 13.73878 
1 1 1    4   40  -23 o   77.875   5.0710  1847.75  228.076  1847.75  228.076   0.0000   0.0000   77.875   5.0710  ?   ?       ?      ? 
1 1 1    4   41  -23 o   21.571   9.3388   61.242  214.191   0.0000   0.0000   61.242  214.191  ?   ?    21.571   9.3388      ?      ? 
1 1 1    4   42  -23 o   52.582   8.4497  1102.58  249.193  1296.74  382.859  959.875  328.236   56.518   12.095   48.646   11.803 7.872360 16.89949 
1 1 1    4   43  -23 o   65.964   5.7477  1384.13  218.970  1384.13  218.970   0.0000   0.0000   65.964   5.7477  ?   ?       ?      ? 
1 1 1    4    0  -24 o  132.645   2.6398  5089.04  202.051  5089.04  202.051   0.0000   0.0000  132.645   2.6398  132.645   2.6398 -0.000000 0.000000 
1 1 1    4    1  -24 o   72.391   2.8363  1513.28  115.708  1529.80  185.622  1502.79  147.975   72.698   4.4210   72.084   3.5544 0.6145401 5.672627 
1 1 1    4    2  -24 o  203.517   1.9386 11993.46  214.169 11907.89  372.503 12035.71  261.759  202.942   3.1781  204.093   2.2207 -1.150665 3.877119 
1 1 1    4    3  -24 o  103.113   2.4761  3024.79  132.769  2961.92  155.972  3190.24  252.999  101.232   2.6677  104.994   4.1722 -3.762459 4.952200 
1 1 1    4    4  -24 o  254.856   1.2808 18766.57  188.435 18856.54  262.915 18671.54  270.208  255.486   1.7818  254.226   1.8403 1.259796 2.561575 
1 1 1    4    5  -24 o  143.439   1.9106  5866.40  134.325  6099.92  279.404  5796.19  153.190  145.236   3.3310  141.643   1.8726 3.592484 3.821288 
1 1 1    4    6  -24 o  157.081   1.9110  7230.49  144.870  6953.25  302.092  7313.29  165.092  155.056   3.3734  159.106   1.7966 -4.049942 3.821980 
1 1 1    4    7  -24 o   91.390   2.3551  2351.62  114.962  2582.60  211.050  2254.18  137.084   94.473   3.8681   88.308   2.6878 6.164345 4.710239 
1 1 1    4    8  -24 o  140.109   1.5299  5658.93  121.907  5595.97  158.683  5749.60  190.432  139.168   1.9743  141.050   2.3377 -1.881607 3.059799 
1 1 1    4    9  -24 o  103.736   2.0814  3113.85  124.598  3038.18  178.489  3185.77  174.012  102.503   3.0150  104.970   2.8703 -2.466888 4.162820 
1 1 1    4   10  -24 o  137.168   1.7390  5440.68  137.699  5535.53  192.817  5341.96  196.715  138.391   2.4124  135.945   2.5055 2.446060 3.478095 
1 1 1    4   11  -24 f   18.037   5.8651 -123.7250  133.682 -35.7962  154.717 -382.7630  265.554   17.900   7.8402   18.174   8.7254 -0.2738476 11.73030 
1 1 1    4   12  -24 o  158.996   1.5319  7298.76  139.210  7354.52  213.118  7257.27  183.853  159.516   2.3133  158.475   2.0087 1.040756 3.063717 
1 1 1    4   13  -24 f   15.795   7.8714 -780.9293  134.401 -738.1605  287.329 -792.9081  152.063   15.795   7.8714  ?   ?       ?      ? 
1 1 1    4   14  -24 o  161.124   1.9415  7501.92  180.672   0.0000   0.0000  7501.92  180.672  ?   ?   161.124   1.9415      ?      ? 
1 1 1    4   15  -24 o  102.724   2.6474  3057.46  145.618  3048.85  260.165  3061.39  175.722  102.568   4.3919  102.879   2.9574 -0.3115005 5.294815 
1 1 1    4   16  -24 o   93.451   2.4846  2498.22  120.457  2461.35  141.501  2595.26  229.574   92.261   2.6556   94.642   4.2000 -2.381042 4.969145 
1 1 1    4   17  -24 o  133.657   1.7123  5147.74  130.256  5068.13  169.687  5261.95  203.238  132.415   2.2188  134.899   2.6086 -2.483566 3.424636 
1 1 1    4   18  -24 o  151.872   2.3416  6785.73  183.682  6425.33  344.419  6928.99  217.139  148.931   4.0042  154.812   2.4286 -5.881012 4.683109 
1 1 1    4   19  -24 o   40.495   7.2506  514.643  157.253  542.721  183.145  435.866  306.768   42.456   7.7549   38.533   12.253 3.922634 14.50128 
1 1 1    4   20  -24 o  113.173   2.5118  3703.46  164.175   0.0000   0.0000  3703.46  164.175  ?   ?   113.173   2.5118      ?      ? 
1 1 1    4   21  -24 o  200.271   1.8649 11585.30  191.846 11630.26  368.504 11568.58  224.698  200.469   3.1828  200.072   1.9446 0.3966217 3.729834 
1 1 1    4   22  -24 o  101.684   3.5235  2989.28  205.763  2885.12  274.764  3122.27  310.483   99.699   4.7718  103.668   5.1857 -3.968781 7.047089 
1 1 1    4   23  -24 o  158.441   2.1755  7257.45  199.077  7257.45  199.077   0.0000   0.0000  158.441   2.1755  ?   ?       ?      ? 
1 1 1    4   24  -24 o   45.959   6.7602  509.205  150.966  390.145  169.484  966.485  332.152   35.736   8.3603   56.183   10.626 -20.44614 13.52039 
1 1 1    4   25  -24 o   20.142   6.0777  -1.6800  125.905 -101.0722  205.302   58.235  159.399   19.291   8.7012   20.993   8.4878 -1.701780 12.15540 
1 1 1    4   26  -24 o   77.203   4.5782  1738.31  203.711  1825.53  300.109  1663.78  277.410   78.977   6.5795   75.429   6.3679 3.548080 9.156415 
1 1 1    4   27  -24 o  147.477   2.4480  6413.88  193.710  6011.86  339.103  6608.62  236.007  143.869   4.0811  151.086   2.7047 -7.216827 4.896006 
1 1 1    4   28  -24 o   46.276   6.5235  749.786  137.847  480.845  298.710  822.557  155.381   39.450   12.023   53.101   5.0665 -13.65088 13.04699 
1 1 1    4   29  -24 o  105.657   2.8996  3260.87  146.023  3270.57  165.290  3226.40  311.645  106.246   2.6937  105.068   5.1357 1.177765 5.799298 
1 1 1    4   30  -24 f   89.616   2.8453  2372.80  139.962  2453.41  174.549  2227.64  234.233   91.907   3.2884   87.325   4.6443 4.581642 5.690650 
1 1 1    4   31  -24 o   53.660   5.8847  1000.92  144.369  658.456  277.946  1127.45  168.947   45.274   10.784   62.047   4.7146 -16.77238 11.76946 
1 1 1    4   32  -24 o  132.687   2.6845  5255.02  183.107  4881.17  343.632  5403.26  216.387  128.975   4.6132  136.399   2.7468 -7.423630 5.369060 
1 1 1    4   33  -24 o   82.242   2.4443  1952.78  110.584  1904.77  136.196  2045.65  189.443   80.904   2.9148   83.581   3.9245 -2.677719 4.888544 
1 1 1    4   34  -24 o  117.361   2.4716  4113.81  139.458  3879.00  290.042  4184.42  159.049  114.695   4.3786  120.028   2.2944 -5.333893 4.943292 
1 1 1    4   35  -24 o   95.058   3.7428  2657.96  205.477   0.0000   0.0000  2657.96  205.477  ?   ?    95.058   3.7428      ?      ? 
1 1 1    4   36  -24 o   68.335   3.6878  1404.39  145.442  1446.03  210.552  1366.39  201.143   69.277   5.2624   67.393   5.1678 1.884811 7.375579 
1 1 1    4   37  -24 f   71.113   3.0733  1490.27  121.606  1582.84  203.382  1438.76  151.712   72.521   4.8559   69.705   3.7685 2.815514 6.146618 
1 1 1    4   38  -24 o   29.315   6.5466  316.267  149.120 -71.7353  289.004  457.048  174.083   21.906   10.051   36.724   8.3913 -14.81820 13.09317 
1 1 1    4   39  -24 o   62.000   3.4788  1172.72  123.489  1344.48  174.902  1001.99  174.378   66.777   4.5350   57.222   5.2765 9.555141 6.957553 
1 1 1    4   40  -24 o   45.824   6.7671  685.369  161.354  576.934  190.932  956.303  301.804   40.964   8.3535   50.684   10.649 -9.720192 13.53429 
1 1 1    4   41  -24 f   31.924   6.7643  376.202  131.752  365.884  165.696  393.940  217.263   31.886   8.7383   31.962   10.328 -0.7635117E-01 13.52856 
1 1 1    4   42  -24 o   46.535   6.1671  697.793  165.747   0.0000   0.0000  697.793  165.747  ?   ?    46.535   6.1671      ?      ? 
1 1 1    4    0  -25 o  163.798   2.2158  7754.82  209.526   0.0000   0.0000  7754.82  209.526  163.798   2.2158  163.798   2.2158 -0.000000 0.000000 
1 1 1    4    1  -25 o  201.120   1.8798 11848.45  189.611 11378.83  373.733 12011.23  220.032  198.347   3.2625  203.893   1.8685 -5.546005 3.759689 
1 1 1    4    2  -25 o  115.636   1.6557  3882.54  103.269  3915.46  125.628  3813.93  181.349  116.412   1.8685  114.859   2.7338 1.553497 3.311345 
1 1 1    4    3  -25 o  297.289   1.5290 25546.74  256.749 25507.30  407.995 25572.61  330.366  297.076   2.3779  297.501   1.9227 -0.4242859 3.058034 
1 1 1    4    4  -25 o  176.058   2.1967  8957.56  223.367  8957.56  223.367   0.0000   0.0000  176.058   2.1967  ?   ?       ?      ? 
1 1 1    4    5  -25 o  193.905   1.1741 10851.90  131.169 10717.40  178.930 11008.16  192.854  192.610   1.6085  195.200   1.7107 -2.590057 2.348109 
1 1 1    4    6  -25 o  129.892   2.2577  4872.63  155.874  4899.31  282.829  4860.99  186.805  130.105   3.7639  129.678   2.4942 0.4271240 4.515353 
1 1 1    4    7  -25 o  288.500   1.9960 24034.19  275.615 24008.66  312.053 24124.73  587.746  288.258   1.8744  288.742   3.5245 -0.4844360 3.991902 
1 1 1    4    8  -25 o   50.578   5.3206  708.984  150.741  903.817  253.983  603.031  187.297   55.653   7.9020   45.503   7.1270 10.14980 10.64120 
1 1 1    4    9  -25 o   60.991   2.8021  1077.37   98.457  1080.44  134.671  1073.85  144.306   61.091   3.8169   60.892   4.1033 0.1984291 5.604136 
1 1 1    4   10  -25 o   75.363   3.3109  1695.46  127.220  1540.96  240.747  1755.32  149.852   72.838   5.7229   77.888   3.3312 -5.050468 6.621854 
1 1 1    4   11  -25 o  316.017   1.7393 28883.67  317.155 28544.03  457.035 29199.14  440.472  314.216   2.5185  317.819   2.3997 -3.602234 3.478666 
1 1 1    4   12  -25 o  259.050   1.4679 19421.33  216.133 19549.34  282.183 19239.66  336.171  260.103   1.8785  257.997   2.2561 2.105957 2.935748 
1 1 1    4   13  -25 o   54.525   5.5696  855.260  140.841  928.452  304.823  835.393  158.809   55.398   9.8900   53.652   5.1252 1.746658 11.13912 
1 1 1    4   14  -25 o  204.980   1.9371 12129.32  224.713 12043.70  289.669 12258.72  356.103  204.103   2.4574  205.858   2.9952 -1.755508 3.874231 
1 1 1    4   15  -25 o  168.252   2.0261  8139.95  151.310  8263.21  357.726  8113.09  166.983  168.937   3.6664  167.567   1.7254 1.370193 4.052109 
1 1 1    4   16  -25 o  149.730   1.8059  6482.42  156.167  6449.36  220.979  6515.40  220.729  149.348   2.5619  150.112   2.5460 -0.7638702 3.611876 
1 1 1    4   17  -25 o  251.353   2.0584 18304.68  275.758 18199.04  496.513 18351.80  331.604  250.745   3.4286  251.962   2.2788 -1.216522 4.116778 
1 1 1    4   18  -25 o   44.485   5.6129  605.472  136.355  514.152  213.114  668.768  177.425   41.049   9.2151   47.920   6.4108 -6.871307 11.22573 
1 1 1    4   19  -25 o  171.796   2.0463  8525.89  193.986  8496.74  240.879  8579.68  327.219  171.424   2.4330  172.169   3.2908 -0.7440338 4.092514 
1 1 1    4   20  -25 o  137.193   2.2842  5414.73  176.946  5603.93  283.823  5294.44  226.310  139.110   3.5327  135.277   2.8966 3.833771 4.568407 
1 1 1    4   21  -25 o   16.867   5.5263 -166.9086  127.543 -84.3976  192.663 -231.2785  170.171   18.961   8.5010   14.773   7.0636 4.188272 11.05264 
1 1 1    4   22  -25 o   85.981   3.0076  2074.67  140.240  2346.70  251.562  1952.00  168.924   89.878   4.8462   82.084   3.5632 7.793846 6.015212 
1 1 1    4   23  -25 o   35.266   6.4995  380.214  132.178  379.841  207.354  380.470  171.550   35.274   9.8178   35.258   8.5196 0.1600266E-01 12.99899 
1 1 1    4   24  -25 o   80.758   3.9589  1862.64  154.646  1972.38  328.695  1831.44  175.254   82.052   6.9362   79.463   3.8187 2.588783 7.917879 
1 1 1    4   25  -25 f   38.859   6.0975  481.355  138.870  660.408  186.894  260.631  207.505   47.455   6.8191   30.262   10.110 17.19261 12.19493 
1 1 1    4   26  -25 o  245.857   1.8018 17503.59  219.595 17485.30  444.749 17509.49  252.524  245.618   3.1352  246.095   1.7767 -0.4765015 3.603653 
1 1 1    4   27  -25 o   77.325   4.0678  1682.74  157.572  1617.61  180.609  1890.32  322.433   74.566   4.1939   80.083   6.9713 -5.517570 8.135541 
1 1 1    4   28  -25 o   66.409   4.1143  1263.45  152.477  1180.37  189.768  1414.79  256.126   63.517   5.1730   69.301   6.3993 -5.783672 8.228660 
1 1 1    4   29  -25 o   80.925   3.9279  1863.14  169.226  2084.79  313.251  1771.80  201.095   83.966   6.4595   77.884   4.4706 6.082283 7.855712 
1 1 1    4   30  -25 o   48.105   5.0295  729.415  128.592  471.744  184.919  970.701  178.943   38.795   8.4890   57.415   5.3964 -18.61964 10.05904 
1 1 1    4   31  -25 o   25.845   7.1986  130.724  143.691  106.977  168.411  194.273  275.500   22.696   8.8696   28.994   11.341 -6.297878 14.39712 
1 1 1    4   32  -25 o   21.291   5.8186   63.533  107.419  195.043  163.740 -35.8292  142.326   25.877   8.9736   16.705   7.4093 9.172647 11.63721 
1 1 1    4   33  -25 o   41.241   6.0519  512.641  120.720  488.099  136.689  599.651  257.374   40.319   5.8700   42.162   10.585 -1.842968 12.10382 
1 1 1    4   34  -25 o   25.746   6.6162  187.753  125.714  237.458  196.799  153.488  163.397   27.734   9.8216   23.758   8.8676 3.975836 13.23242 
1 1 1    4   35  -25 o   64.777   4.9074  1319.62  169.096  1261.69  299.086  1346.84  205.006   62.757   8.2517   66.796   5.3141 -4.038540 9.814829 
1 1 1    4   36  -25 o   63.034   3.4465  1222.41  109.381  1140.73  210.897  1252.47  127.933   60.891   5.9970   65.177   3.3987 -4.285454 6.893068 
1 1 1    4   37  -25 o   21.374   6.0953   54.368  130.280 -135.9822  191.656  217.875  177.629   16.775   7.8620   25.973   9.3167 -9.197840 12.19063 
1 1 1    4   38  -25 o   53.887   4.6505  917.109  144.625  955.834  204.720  878.528  204.342   55.125   6.4303   52.650   6.7201 2.474674 9.300960 
1 1 1    4   39  -25 o   26.135   6.8301  208.967  150.784  358.305  202.708   23.988  225.605   31.180   9.9655   21.091   9.3429 10.08969 13.66025 
1 1 1    4   40  -25 o   67.118   5.7819  1535.60  223.326  1600.98  309.223  1464.32  322.882   69.138   7.7441   65.099   8.5879 4.039307 11.56387 
1 1 1    4   41  -25 o   67.289   5.2506  1417.34  204.050   0.0000   0.0000  1417.34  204.050  ?   ?    67.289   5.2506      ?      ? 
1 1 1    4    0  -26 o  199.183   2.2533 11481.50  258.654 11366.77  375.506 11585.07  356.795  198.225   3.2820  200.141   3.0884 -0.000000 0.000000 
1 1 1    4    1  -26 o   15.288   5.2849 -265.6220  118.026 -277.5494  249.122 -262.1700  134.022   18.713   8.8301   11.863   5.8095 6.849898 10.56985 
1 1 1    4    2  -26 o  103.475   1.9253  3119.18  113.231  2955.21  173.896  3239.87  149.193  101.083   2.9787  105.867   2.4401 -4.783630 3.850544 
1 1 1    4    3  -26 f   76.845   3.5734  1631.15  127.028  1852.07  292.033  1579.60  141.074   79.802   6.3363   73.888   3.3059 5.913528 7.146818 
1 1 1    4    4  -26 o   81.839   2.2099  1920.87  100.543  1997.96  168.074  1877.90  125.469   83.088   3.5025   80.589   2.6957 2.499168 4.419752 
1 1 1    4    5  -26 o   82.760   2.1173  1974.22   99.416  1945.23  128.596  2017.27  156.734   82.020   2.7147   83.501   3.2500 -1.480965 4.234668 
1 1 1    4    6  -26 o  152.387   1.5961  6724.80  139.108  6618.09  211.130  6806.67  184.922  151.306   2.4161  153.468   2.0864 -2.161331 3.192206 
1 1 1    4    7  -26 o   94.275   1.8921  2592.57  100.420  2464.12  158.927  2677.93  129.561   92.299   2.9814   96.251   2.3307 -3.951859 3.784268 
1 1 1    4    8  -26 o   69.529   3.3321  1400.90  133.759  1365.27  186.200  1438.90  192.274   68.617   4.6985   70.441   4.7261 -1.824112 6.664261 
1 1 1    4    9  -26 o   90.147   2.3822  2342.67  123.342  2434.85  185.852  2270.12  164.887   91.717   3.5086   88.576   3.2232 3.140602 4.764349 
1 1 1    4   10  -26 o  127.198   2.0394  4682.16  149.479  4641.12  218.380  4718.33  205.040  126.666   2.9851  127.730   2.7795 -1.063934 4.078783 
1 1 1    4   11  -26 o   99.347   1.8528  2821.70  103.674  2996.15  168.379  2715.19  131.572  101.779   2.8645   96.915   2.3507 4.864365 3.705514 
1 1 1    4   12  -26 o  255.537   1.6835 18875.87  248.428 18502.63  349.690 19256.18  352.992  252.985   2.3933  258.088   2.3682 -5.103271 3.366933 
1 1 1    4   13  -26 o   70.293   3.5473  1426.73  135.207  1454.98  237.143  1413.13  164.577   70.747   5.8039   69.839   4.0802 0.9076462 7.094581 
1 1 1    4   14  -26 f  102.269   2.3959  3047.71  135.980  2951.93  224.236  3103.42  171.013  100.956   3.8458  103.582   2.8586 -2.626595 4.791865 
1 1 1    4   15  -26 o  282.985   1.6148 23079.85  256.127 23437.50  417.362 22863.79  324.395  284.703   2.5383  281.267   1.9970 3.435364 3.229649 
1 1 1    4   16  -26 o  142.833   2.7348  5900.61  225.599  5900.61  225.599   0.0000   0.0000  142.833   2.7348  ?   ?       ?      ? 
1 1 1    4   17  -26 o  202.734   1.4394 11892.05  168.017 11711.67  246.503 12048.57  229.617  201.288   2.1204  204.179   1.9472 -2.890366 2.878832 
1 1 1    4   18  -26 o  262.935   2.1145 19918.44  306.081 20289.79  520.484 19722.13  378.433  264.720   3.4044  261.148   2.5091 3.571960 4.229084 
1 1 1    4   19  -26 o  149.595   1.9189  6470.99  165.426  6515.62  242.495  6432.15  226.244  150.069   2.7979  149.121   2.6270 0.9478455 3.837822 
1 1 1    4   20  -26 o  122.171   2.8164  4333.73  186.079  4310.28  326.052  4345.05  226.606  121.839   4.6336  122.504   3.2028 -0.6654053 5.632782 
1 1 1    4   21  -26 o   78.495   2.7840  1735.97  121.675  1974.92  206.195  1608.31  150.712   82.486   4.3282   74.503   3.5026 7.982895 5.567918 
1 1 1    4   22  -26 o  137.742   1.5113  5488.99  119.086  5466.69  181.145  5505.96  158.036  137.483   2.2814  138.002   1.9828 -0.5190582 3.022616 
1 1 1    4   23  -26 o  130.362   2.3347  4952.27  161.342  4855.67  292.195  4994.65  193.519  129.349   3.9113  131.375   2.5505 -2.026321 4.669436 
1 1 1    4   24  -26 o   72.372   3.2158  1448.58  127.859  1768.06  225.997  1298.19  155.061   77.891   5.0237   66.853   4.0160 11.03799 6.431655 
1 1 1    4   25  -26 o  190.612   1.6646 10516.86  183.226 10362.61  259.642 10669.88  258.603  189.216   2.3759  192.009   2.3320 -2.792877 3.329143 
1 1 1    4   26  -26 o   97.171   2.4294  2744.20  130.606  2750.78  162.957  2732.38  218.393   97.411   2.8965   96.931   3.9011 0.4792786 4.858885 
1 1 1    4   27  -26 o  125.442   1.9511  4571.08  140.310  4489.77  210.656  4635.91  188.109  124.404   2.9319  126.479   2.5752 -2.074684 3.902262 
1 1 1    4   28  -26 o   80.276   2.9758  1945.02  115.995  1762.38  235.473  2003.54  133.289   77.455   5.2639   83.096   2.7773 -5.640549 5.951618 
1 1 1    4   29  -26 o  120.816   1.8937  4230.23  129.082  4269.66  206.280  4204.86  165.487  121.212   2.9467  120.421   2.3795 0.7910843 3.787423 
1 1 1    4   30  -26 o   86.539   4.6855  2243.06  233.760  2220.34  320.494  2268.88  341.697   86.158   6.4408   86.919   6.8067 -0.7612915 9.370991 
1 1 1    4   31  -26 o  105.693   3.2732  3261.35  199.806  3261.35  199.806   0.0000   0.0000  105.693   3.2732  ?   ?       ?      ? 
1 1 1    4   32  -26 o   88.751   3.2201  2257.58  152.124  2146.20  180.796  2527.64  281.510   85.511   3.6608   91.990   5.2987 -6.479027 6.440289 
1 1 1    4   33  -26 f  103.533   3.1318  3243.20  176.222  2992.10  298.620  3377.36  218.282   99.878   5.1768  107.189   3.5260 -7.310631 6.263560 
1 1 1    4   34  -26 o   51.096   4.3662  791.717  126.034  850.080  202.888  755.044  160.828   52.333   6.7126   49.858   5.5852 2.474903 8.732372 
1 1 1    4   35  -26 o   88.807   3.6371  2327.71  173.757  2564.02  313.615  2223.04  208.720   91.271   5.9495   86.344   4.1855 4.927277 7.274271 
1 1 1    4   36  -26 o   53.444   5.3179  873.916  158.870  1112.80  269.333  746.447  196.742   58.417   7.9830   48.472   7.0278 9.944420 10.63575 
1 1 1    4   37  -26 o   44.086   6.8454  773.978  165.104  467.953  298.846  908.419  198.077   34.429   12.113   53.742   6.3817 -19.31312 13.69090 
1 1 1    4   38  -26 o   37.651   6.3771  516.240  136.803  573.440  178.159  434.056  213.551   41.239   7.7652   34.064   10.118 7.174858 12.75417 
1 1 1    4   39  -26 o  113.168   2.9379  3784.38  192.020  3784.38  192.020   0.0000   0.0000  113.168   2.9379  ?   ?       ?      ? 
1 1 1    4   40  -26 o   66.837   4.3702  1427.85  165.860  1366.67  214.293  1519.28  261.940   65.643   5.6524   68.031   6.6667 -2.387405 8.740417 
1 1 1    4    0  -27 o  195.646   2.3666 11093.39  266.318 11320.17  364.105 10832.48  390.543  197.819   3.1888  193.473   3.4977 -0.000000 0.000000 
1 1 1    4    1  -27 o  254.980   2.0613 18848.04  278.851 18914.40  334.205 18695.96  505.897  255.803   2.2622  254.157   3.4465 1.645889 4.122561 
1 1 1    4    2  -27 o   93.537   3.2841  2716.17  131.465  2273.65  309.127  2813.88  145.255   88.423   6.0532   98.652   2.5494 -10.22896 6.568207 
1 1 1    4    3  -27 o  108.922   1.7008  3429.17  106.945  3409.80  148.826  3449.85  153.782  108.605   2.3727  109.238   2.4375 -0.6327133 3.401641 
1 1 1    4    4  -27 o   50.771   3.7744  744.776  109.158  770.429  170.228  726.860  142.255   51.489   5.7244   50.053   4.9209 1.435982 7.548776 
1 1 1    4    5  -27 f   77.866   2.4106  1753.75  108.348  1725.06  150.335  1784.76  156.293   77.205   3.3716   78.526   3.4462 -1.320732 4.821164 
1 1 1    4    6  -27 o   27.404   6.1001  199.881  103.030  283.008  180.693  159.836  125.414   30.914   9.3354   23.894   7.8545 7.019958 12.20015 
1 1 1    4    7  -27 o  205.359   1.6178 12184.68  191.830 11886.63  267.866 12498.48  274.848  202.782   2.2872  207.935   2.2886 -5.153397 3.235603 
1 1 1    4    8  -27 o  112.436   2.2257  3660.85  144.027  3696.50  196.212  3619.20  212.084  113.040   3.0054  111.833   3.2836 1.207443 4.451390 
1 1 1    4    9  -27 o  153.744   1.8154  6827.56  161.074  6662.00  222.601  7009.52  233.365  151.792   2.5392  155.696   2.5952 -3.904388 3.630785 
1 1 1    4   10  -27 o  111.431   2.1835  3530.12  122.628  3466.80  141.556  3720.53  245.479  109.514   2.2381  113.348   3.7499 -3.834457 4.366960 
1 1 1    4   11  -27 o  152.256   1.8006  6705.16  155.945  6715.29  203.719  6690.82  242.361  152.412   2.3143  152.099   2.7590 0.3126068 3.601138 
1 1 1    4   12  -27 o  106.519   2.5475  3289.10  156.374  3221.76  227.523  3349.38  215.276  105.474   3.7350  107.564   3.4653 -2.090088 5.094994 
1 1 1    4   13  -27 o  161.580   1.8052  7539.49  167.917  7427.78  227.744  7672.55  248.560  160.278   2.4603  162.882   2.6423 -2.603531 3.610340 
1 1 1    4   14  -27 o  120.197   2.2408  4194.23  154.637  4316.48  209.452  4047.76  229.268  122.144   2.9691  118.249   3.3571 3.894569 4.481685 
1 1 1    4   15  -27 o  285.481   1.8365 23565.38  302.708 23768.77  434.329 23373.25  422.119  286.674   2.6233  284.288   2.5709 2.386505 3.673050 
1 1 1    4   16  -27 o  333.805   2.3286 32153.13  429.831 31895.72  534.518 32624.20  723.094  332.041   2.7873  335.569   3.7310 -3.528076 4.657210 
1 1 1    4   17  -27 o   75.104   4.4761  1740.48  156.638  1815.00  177.813  1482.31  330.968   79.131   3.8907   71.077   8.0625 8.054550 8.952225 
1 1 1    4   18  -27 o  192.256   1.9947 10722.77  215.552 10814.55  275.505 10577.92  346.105  193.366   2.4670  191.145   3.1352 2.220810 3.989379 
1 1 1    4   19  -27 o  127.077   1.7006  4671.60  124.742  4645.27  179.140  4696.39  173.804  126.725   2.4476  127.428   2.3616 -0.7028198 3.401184 
1 1 1    4   20  -27 o  164.536   2.2922  7861.22  201.365  7792.93  361.099  7892.04  242.586  163.916   3.8143  165.156   2.5432 -1.239838 4.584461 
1 1 1    4   21  -27 o  118.779   2.0859  4095.26  141.552  4019.22  215.561  4152.92  187.690  117.782   3.1689  119.777   2.7132 -1.995613 4.171733 
1 1 1    4   22  -27 o   21.842   6.0756   73.252  118.519  156.180  148.557 -71.9502  196.576   24.311   8.5408   19.373   8.6433 4.938145 12.15121 
1 1 1    4   23  -27 o   59.196   5.1088  941.109  150.507  861.479  170.516  1221.93  320.217   54.298   5.4375   64.094   8.6506 -9.795937 10.21756 
1 1 1    4   24  -27 o  100.106   2.5948  2911.46  150.007  2911.04  210.702  2911.90  213.613  100.103   3.6445  100.109   3.6946 -0.6530762E-02 5.189641 
1 1 1    4   25  -27 o  104.526   2.6886  3166.79  162.308   0.0000   0.0000  3166.79  162.308  ?   ?   104.526   2.6886      ?      ? 
1 1 1    4   26  -27 o   44.663   6.5536  584.906  148.921  690.073  293.370  548.399  172.846   46.363   11.103   42.963   6.9659 3.399364 13.10719 
1 1 1    4   27  -27 o   57.391   6.0751  1034.09  178.487  1072.54  215.835  950.915  317.448   60.150   6.2129   54.632   10.442 5.518307 12.15021 
1 1 1    4   28  -27 o  174.924   2.2515  8871.91  227.461   0.0000   0.0000  8871.91  227.461  ?   ?   174.924   2.2515      ?      ? 
1 1 1    4   29  -27 o   50.888   6.3889  838.450  164.106  762.851  301.817  870.181  195.536   47.873   11.127   53.902   6.2811 -6.028618 12.77782 
1 1 1    4   30  -27 o  122.601   2.0364  4325.36  136.190  4548.65  237.680  4216.21  166.175  124.752   3.2988  120.450   2.3888 4.301720 4.072892 
1 1 1    4   31  -27 o  126.252   2.4244  4678.67  176.048  4727.77  239.148  4620.59  260.110  127.068   3.2587  125.435   3.5905 1.633377 4.848777 
1 1 1    4   32  -27 o  107.329   3.6913  3463.85  224.853  3469.75  351.650  3459.78  292.452  107.004   5.6902  107.656   4.7036 -0.6518860 7.382569 
1 1 1    4   33  -27 o   26.339   6.7431  217.231  132.110  178.992  208.210  243.001  170.924   25.436   9.8836   27.241   9.1755 -1.805693 13.48611 
1 1 1    4   34  -27 o  140.732   2.7796  5970.13  207.214  6105.25  249.768  5671.81  371.139  144.167   2.9998  137.297   4.6805 6.869354 5.559256 
1 1 1    4   35  -27 o   65.974   3.7151  1341.49  134.649  1281.10  224.766  1375.30  168.164   64.217   6.0603   67.732   4.2989 -3.515045 7.430193 
1 1 1    4   36  -27 o   71.086   5.1407  1670.45  178.807  1718.40  207.605  1532.68  351.891   75.248   4.7770   66.924   9.1042 8.323936 10.28134 
1 1 1    4   37  -27 o   83.171   3.4885  2116.19  166.710  2108.86  224.789  2125.15  248.521   83.250   4.6753   83.092   5.1787 0.1584549 6.976899 
1 1 1    4   38  -27 o   54.117   7.0448  1269.49  140.818  802.447  372.194  1347.52  152.126   41.336   13.528   66.898   3.9374 -25.56245 14.08965 
1 1 1    4   39  -27 o   14.903   5.0437 -164.3909  123.420 -184.7130  177.200 -145.2438  172.001   14.726   7.0847   15.081   7.1806 -0.3550825 10.08732 
1 1 1    4    0  -28 o  210.445   2.0974 12748.04  236.256 12649.64  284.471 12966.80  424.157  209.199   2.3551  211.692   3.4714 -0.000000 0.000000 
1 1 1    4    1  -28 o  118.720   1.9213  4071.19  130.852  4117.80  197.297  4034.58  174.838  119.316   2.8631  118.124   2.5628 1.192734 3.842552 
1 1 1    4    2  -28 o  130.447   2.2796  5059.94  146.320  4663.90  293.397  5191.05  168.811  126.883   4.0037  134.012   2.1811 -7.129135 4.559288 
1 1 1    4    3  -28 o   46.580   4.9760  688.759  119.845  802.043  151.685  500.557  195.511   52.570   4.9960   40.589   8.6072 11.98119 9.952038 
1 1 1    4    4  -28 o  181.112   1.7602  9496.27  169.743  9452.35  306.301  9515.74  203.919  180.766   2.9339  181.459   1.9458 -0.6929932 3.520499 
1 1 1    4    5  -28 o   26.407   6.5414  184.053  121.187  141.739  204.655  206.902  150.388   25.966   9.8730   26.849   8.5839 -0.8824711 13.08283 
1 1 1    4    6  -28 o   21.081   6.4897 -89.5623  134.653 -161.3006  157.604  104.363  259.124   15.181   7.1195   26.981   10.852 -11.79958 12.97934 
1 1 1    4    7  -28 o   70.429   3.6649  1449.44  139.262  1414.41  243.860  1466.39  169.645   69.723   6.0559   71.135   4.1292 -1.412666 7.329736 
1 1 1    4    8  -28 o   23.375   6.6738   61.793  140.118  131.345  208.509   4.5214  189.208   25.757   9.9234   20.993   8.9265 4.764481 13.34753 
1 1 1    4    9  -28 o   99.660   2.2790  2876.01  127.622  2881.16  162.745  2867.79  205.666   99.802   2.8235   99.519   3.5783 0.2827530 4.558065 
1 1 1    4   10  -28 o   53.759   4.1343  853.187  126.053  925.109  167.907  760.303  190.815   56.438   5.1512   51.081   6.4680 5.357670 8.268632 
1 1 1    4   11  -28 o  134.005   2.6006  5188.27  177.960  5173.53  207.670  5229.00  345.269  133.742   2.6886  134.269   4.4524 -0.5274811 5.201202 
1 1 1    4   12  -28 o  162.521   2.2641  7657.56  204.662  7691.12  257.221  7599.63  337.873  163.059   2.7313  161.983   3.6116 1.076187 4.528109 
1 1 1    4   13  -28 o   35.513   8.0661  373.404  194.343  481.442  246.891  197.410  315.111   39.617   10.588   31.409   12.172 8.208387 16.13219 
1 1 1    4   14  -28 o  110.469   2.3073  3514.12  143.174  3452.72  181.651  3614.83  232.636  109.234   2.8793  111.704   3.6060 -2.469971 4.614512 
1 1 1    4   15  -28 o  211.831   1.8365 12966.88  224.440 13258.33  326.494 12705.78  309.037  214.079   2.6407  209.583   2.5531 4.496048 3.673084 
1 1 1    4   16  -28 o  120.132   1.9860  4182.38  137.256  4247.88  186.907  4105.72  202.215  121.167   2.6709  119.098   2.9399 2.069290 3.971951 
1 1 1    4   17  -28 f   50.645   6.4504  706.795  147.798  889.318  343.436  665.307  163.736   53.536   11.454   47.754   5.9367 5.781750 12.90088 
1 1 1    4   18  -28 o  271.700   2.0460 21503.19  309.051 21866.93  389.470 20884.74  507.849  274.921   2.4529  268.478   3.2752 6.442505 4.091918 
1 1 1    4   19  -28 o  276.721   2.0389 22143.62  325.853 22143.62  325.853   0.0000   0.0000  276.721   2.0389  ?   ?       ?      ? 
1 1 1    4   20  -28 o  119.723   2.3960  4162.21  165.063  4088.52  242.888  4225.45  225.004  118.714   3.5426  120.733   3.2269 -2.018990 4.791920 
1 1 1    4   21  -28 o   17.743   6.0603 -255.7200  129.510 -144.6515  304.636 -280.2226  143.084   23.291   10.544   12.194   5.9781 11.09723 12.12055 
1 1 1    4   22  -28 o  165.402   1.8174  7920.44  173.572  8102.38  248.563  7747.28  242.486  167.254   2.5732  163.549   2.5672 3.705032 3.634786 
1 1 1    4   23  -28 o   67.554   4.6362  1402.85  139.578  1438.23  155.577  1256.88  316.010   70.309   3.8313   64.800   8.4439 5.508904 9.272455 
1 1 1    4   24  -28 o   35.443   6.9695  406.428  150.362  290.689  239.202  482.037  193.334   31.610   10.853   39.277   8.7473 -7.666910 13.93900 
1 1 1    4   25  -28 o   83.539   3.7534  2022.97  135.459  2099.29  331.713  2007.70  148.396   83.961   6.8407   83.117   3.0913 0.8437881 7.506767 
1 1 1    4   26  -28 o   83.225   2.4958  2021.27  116.398  2027.49  147.892  2011.14  188.686   83.490   3.0671   82.960   3.9381 0.5304184 4.991540 
1 1 1    4   27  -28 o   14.289   4.9356 -265.3397  119.313 -331.5819  220.097 -237.7726  141.985   15.978   7.7382   12.601   6.1286 3.377406 9.871176 
1 1 1    4   28  -28 o   67.685   3.6038  1309.09  131.591  1499.68  238.664  1225.84  157.733   70.816   5.8354   64.553   4.2308 6.263191 7.207691 
1 1 1    4   29  -28 o   86.555   3.3012  2181.68  156.505  2346.68  271.822  2099.85  191.415   88.628   5.3104   84.481   3.9231 4.147270 6.602354 
1 1 1    4   30  -28 o   20.094   6.2323   2.1919  122.375 -11.0121  141.891   40.532  241.785   17.144   7.5086   23.044   9.9492 -5.899694 12.46457 
1 1 1    4   31  -28 o   14.808   7.1078 -215.7711  175.990 -215.7711  175.990   0.0000   0.0000   14.808   7.1078  ?   ?       ?      ? 
1 1 1    4   32  -28 f   41.551   6.6825  657.147  149.669  746.130  175.766  422.437  285.461   49.151   6.1917   33.950   11.844 15.20182 13.36502 
1 1 1    4   33  -28 o   82.788   2.8942  2050.27  124.237  2030.45  233.065  2058.14  146.838   81.913   4.9265   83.663   3.0389 -1.750557 5.788411 
1 1 1    4   34  -28 o   57.996   4.8143  1068.14  160.829  991.410  228.277  1143.77  226.624   55.701   7.0960   60.291   6.5083 -4.589737 9.628635 
1 1 1    4   35  -28 o   69.858   3.6080  1403.86  129.403  1698.97  257.686  1304.34  149.639   73.665   6.0568   66.052   3.9226 7.613869 7.216073 
1 1 1    4   36  -28 o   99.345   3.7464  3095.03  157.475  2972.55  382.202  3120.07  172.826   95.841   6.9049  102.850   2.9095 -7.008179 7.492828 
1 1 1    4   37  -28 o   52.773   4.1590  897.009  124.019  773.442  185.556  996.774  166.729   48.842   6.5780   56.704   5.0911 -7.861919 8.318023 
1 1 1    4    0  -29 o   16.762   7.8708 -78.6617  203.342 -122.8038  289.883 -35.9017  285.309   16.098   10.843   17.426   11.411 -0.000000 0.000000 
1 1 1    4    1  -29 o   83.943   3.8432  2081.48  177.344  2165.22  221.908  1933.44  295.033   86.407   4.4467   81.480   6.2695 4.926788 7.686382 
1 1 1    4    2  -29 o   55.817   4.1864  905.586  134.594  817.514  187.094  1000.06  193.771   52.993   6.1130   58.641   5.7214 -5.647736 8.372812 
1 1 1    4    3  -29 o  103.083   2.2851  3079.35  134.696  3047.78  204.878  3103.38  178.759  102.600   3.4575  103.566   2.9886 -0.9655838 4.570115 
1 1 1    4    4  -29 o   80.987   2.6734  1937.26  121.308  2079.52  157.285  1728.38  190.582   84.764   3.2128   77.210   4.2739 7.554482 5.346845 
1 1 1    4    5  -29 o   20.281   5.8276   22.351  106.818  124.185  173.424 -39.8996  135.592   24.069   9.1037   16.493   7.2777 7.576488 11.65517 
1 1 1    4    6  -29 o   56.214   3.3463  918.056  108.202  1025.62  154.572  814.700  151.516   59.460   4.5011   52.969   4.9528 6.491013 6.692573 
1 1 1    4    7  -29 o  227.667   1.6544 14982.63  217.353 14893.63  300.938 15079.69  314.264  226.965   2.2958  228.368   2.3827 -1.402634 3.308775 
1 1 1    4    8  -29 o  126.699   1.6729  4646.65  121.700  4689.22  163.928  4594.36  181.655  127.356   2.2287  126.043   2.4954 1.313400 3.345762 
1 1 1    4    9  -29 o   66.518   3.8127  1290.57  145.946  1175.84  207.737  1402.39  205.086   63.567   5.6584   69.470   5.1116 -5.902798 7.625377 
1 1 1    4   10  -29 o   94.634   3.1119  2603.09  169.452  2656.66  231.328  2541.07  248.922   95.708   4.1850   93.560   4.6066 2.147919 6.223765 
1 1 1    4   11  -29 o   93.319   3.4653  2529.49  186.699  2558.19  268.159  2502.49  260.090   93.827   4.9486   92.811   4.8522 1.015877 6.930502 
1 1 1    4   12  -29 o   70.674   4.2957  1449.47  175.339   0.0000   0.0000  1449.47  175.339  ?   ?    70.674   4.2957      ?      ? 
1 1 1    4   13  -29 o   67.021   4.2359  1318.48  161.879  1572.08  230.474  1071.56  227.420   73.482   5.4307   60.560   6.5022 12.92213 8.471809 
1 1 1    4   14  -29 f  126.545   1.8013  4633.16  131.537  4632.72  189.964  4633.56  182.315  126.535   2.5994  126.556   2.4943 -0.2142334E-01 3.602585 
1 1 1    4   15  -29 o  110.364   2.8686  3535.13  182.422  3532.31  249.635  3538.35  267.229  110.336   3.9174  110.392   4.1914 -0.5626678E-01 5.737103 
1 1 1    4   16  -29 o   63.146   4.4135  1095.97  152.740  960.270  184.350  1393.09  272.781   57.372   5.5637   68.921   6.8530 -11.54911 8.827081 
1 1 1    4   17  -29 o  155.354   2.0108  6990.02  161.826  6988.62  306.242  6990.56  190.613  155.244   3.4156  155.464   2.1229 -0.2196198 4.021578 
1 1 1    4   18  -29 o  107.716   2.1766  3394.07  133.907  3631.45  180.635  3104.47  199.516  111.971   2.7932  103.462   3.3390 8.509567 4.353269 
1 1 1    4   19  -29 o   36.479   6.2887  359.361  119.859  291.067  139.195  555.238  235.735   30.768   7.8174   42.191   9.8529 -11.42252 12.57741 
1 1 1    4   20  -29 o   59.839   5.0456  1057.23  172.681  1048.10  228.501  1069.38  263.676   59.633   6.6347   60.045   7.6034 -0.4122124 10.09113 
1 1 1    4   21  -29 o  144.958   2.0089  6089.33  167.853  6027.28  229.779  6160.33  245.791  144.184   2.7594  145.732   2.9203 -1.547806 4.017728 
1 1 1    4   22  -29 o   16.765   8.2819 -567.9900  126.221 -556.6144  139.925 -617.6794  292.444  ?   ?    16.765   8.2819      ?      ? 
1 1 1    4   23  -29 o  100.061   2.7030  2892.39  152.896  2792.57  195.531  3049.47  245.286   97.948   3.4565  102.173   4.1567 -4.225548 5.406063 
1 1 1    4   24  -29 o   88.245   3.8334  2309.58  171.347  2276.16  333.581  2321.56  199.706   87.337   6.6133   89.153   3.8786 -1.815742 7.666727 
1 1 1    4   25  -29 o   69.996   3.9605  1454.96  159.876  1425.18  230.855  1482.41  221.625   69.249   5.7722   70.743   5.4244 -1.494179 7.920994 
1 1 1    4   26  -29 o  105.413   2.1152  3270.99  125.527  3399.75  162.342  3079.55  197.950  108.135   2.5994  102.691   3.3376 5.444023 4.230464 
1 1 1    4   27  -29 o   55.817   3.8738  948.108  122.261  1051.43  163.667  817.667  183.902   59.553   4.7585   52.080   6.1140 7.473328 7.747569 
1 1 1    4   28  -29 o   17.296   5.6979 -142.9855  139.268 -182.5347  203.398 -108.0790  191.087   16.958   7.9948   17.633   8.1208 -0.6754494 11.39585 
1 1 1    4   29  -29 o   31.012   8.8038  321.095  165.031   0.0000   0.0000  321.095  165.031  ?   ?    31.012   8.8038      ?      ? 
1 1 1    4   30  -29 o   53.019   3.6007  843.304  108.883  817.481  142.312  879.761  169.097   52.207   4.7199   53.832   5.4389 -1.624840 7.201310 
1 1 1    4   31  -29 o   46.132   7.3591  655.679  159.987  948.952  369.986  588.230  177.434   49.165   12.877   43.098   7.1283 6.066395 14.71830 
1 1 1    4   32  -29 o   30.888   7.1265  345.957  148.932  398.018  189.606  262.093  240.648   33.572   9.4039   28.205   10.710 5.366381 14.25298 
1 1 1    4   33  -29 o   27.991   6.1973  257.012  114.601  376.374  173.657  164.926  152.531   32.731   8.9357   23.250   8.5894 9.480761 12.39455 
1 1 1    4   34  -29 o   17.062   5.8130 -247.7948  168.114 -292.0012  262.004 -216.8576  219.183   17.500   8.4675   16.623   7.9664 0.8772240 11.62590 
1 1 1    4   35  -29 o   31.016   6.9738  362.385  140.466  372.457  188.824  349.906  210.186   31.657   9.5394   30.375   10.175 1.282118 13.94755 
1 1 1    4   36  -29 f   49.283   5.1832  757.014  147.533  757.014  147.533   0.0000   0.0000   49.283   5.1832  ?   ?       ?      ? 
1 1 1    4    0  -30 o  296.330   2.3748 25415.87  405.878 25716.67  563.092 25090.58  585.563  298.170   3.2708  294.490   3.4439 -0.000000 0.000000 
1 1 1    4    1  -30 o   49.498   5.1843  712.380  146.510  746.464  227.069  688.070  191.767   50.464   7.7910   48.532   6.8416 1.931503 10.36857 
1 1 1    4    2  -30 o   53.671   6.2628  925.502  161.816  997.083  189.978  736.321  308.846   58.531   5.6200   48.811   11.194 9.719410 12.52560 
1 1 1    4    3  -30 o   24.772   6.5699  136.955  126.372  139.026  167.809  134.242  192.072   24.386   9.0092   25.158   9.5649 -0.7717133 13.13979 
1 1 1    4    4  -30 o  313.381   2.0217 28401.99  323.216 28453.89  627.196 28383.23  377.153  313.423   3.4649  313.338   2.0841 0.8474731E-01 4.043368 
1 1 1    4    5  -30 o   35.077   6.6444  423.763  133.943  110.246  306.549  497.741  148.910   28.845   11.732   41.310   6.2415 -12.46482 13.28873 
1 1 1    4    6  -30 o   38.521   5.9972  454.132  124.732  442.368  212.970  460.273  153.887   37.957   9.6837   39.086   7.0776 -1.129528 11.99443 
1 1 1    4    7  -30 o   59.820   4.6697  1039.43  161.333  1039.43  161.333   0.0000   0.0000   59.820   4.6697  ?   ?       ?      ? 
1 1 1    4    8  -30 o  200.480   1.5600 11582.28  175.734 11792.68  284.675 11452.73  223.377  201.916   2.4411  199.044   1.9431 2.871674 3.120091 
1 1 1    4    9  -30 o   25.569   6.3463 -17.8351  141.289  403.232  233.613 -260.6852  177.415   36.376   10.522   14.762   7.0989 21.61394 12.69254 
1 1 1    4   10  -30 o   27.025   6.9348  178.681  143.022   88.450  219.866  244.870  188.309   24.782   9.9865   29.269   9.6248 -4.487772 13.86960 
1 1 1    4   11  -30 o   58.013   4.4637  1004.17  145.588  1096.22  191.192  877.132  224.605   61.337   5.3971   54.688   7.1112 6.649868 8.927378 
1 1 1    4   12  -30 o  147.593   2.3201  6329.60  195.951  6445.77  261.396  6180.57  296.064  149.181   3.0339  146.006   3.5110 3.174820 4.640208 
1 1 1    4   13  -30 o   89.588   2.7462  2317.12  141.680  2103.09  192.905  2567.78  208.765   85.116   3.9242   94.061   3.8429 -8.944588 5.492478 
1 1 1    4   14  -30 f  193.700   1.5675 10876.83  174.409 11091.51  236.084 10618.90  258.779  195.828   2.0874  191.572   2.3389 4.256210 3.134924 
1 1 1    4   15  -30 o   17.159   5.6373 -258.4178  128.780   3.7234  221.684 -391.9398  158.213   22.460   9.6090   11.857   5.8977 10.60334 11.27460 
1 1 1    4   16  -30 o   30.885   6.2720  280.209  118.627  378.411  181.959  207.617  156.444   34.960   8.9682   26.809   8.7706 8.150736 12.54399 
1 1 1    4   17  -30 o   58.743   4.6951  1014.40  158.854  1123.60  229.917  914.664  219.735   61.796   6.4421   55.690   6.8318 6.105263 9.390122 
1 1 1    4   18  -30 o  128.465   2.6096  4875.05  166.245  4647.00  332.185  4951.25  192.021  126.200   4.5576  130.730   2.5432 -4.530502 5.219178 
1 1 1    4   19  -30 o  109.005   2.2676  3441.16  141.197  3387.28  185.756  3514.89  217.298  108.040   2.9770  109.970   3.4214 -1.930099 4.535197 
1 1 1    4   20  -30 o   15.598   5.2230 -205.1574  125.868 -150.0437  178.969 -259.0988  177.056   16.565   7.7083   14.631   7.0499 1.933661 10.44601 
1 1 1    4   21  -30 o   81.830   3.3123  1977.21  155.253  2218.08  216.673  1723.06  222.569   87.084   4.3080   76.577   5.0325 10.50713 6.624584 
1 1 1    4   22  -30 f   79.150   3.2466  1823.96  148.409   0.0000   0.0000  1823.96  148.409  ?   ?    79.150   3.2466      ?      ? 
1 1 1    4   23  -30 f   22.994   8.9217  116.135  169.463   0.0000   0.0000  116.135  169.463  ?   ?    22.994   8.9217      ?      ? 
1 1 1    4   24  -30 o   65.905   4.2945  1298.15  160.942  1284.22  209.689  1318.11  251.074   65.679   5.5279   66.131   6.5737 -0.4515457 8.589039 
1 1 1    4   25  -30 o   67.725   3.5859  1358.49  139.947  1278.31  190.365  1452.80  206.442   65.577   5.0264   69.873   5.1156 -4.296806 7.171759 
1 1 1    4   26  -30 o   19.059   6.3915 -116.1646  134.035 -106.0057  145.722 -171.9880  341.592   15.064   6.9917   23.054   10.702 -7.989323 12.78304 
1 1 1    4   27  -30 o   44.779   4.7464  652.048  111.387  531.863  182.364  723.567  140.677   40.405   8.0968   49.153   4.9555 -8.747986 9.492898 
1 1 1    4   28  -30 o   43.438   5.8827  573.192  121.554  704.957  261.746  536.961  137.252   44.873   10.316   42.002   5.6580 2.870911 11.76532 
1 1 1    4   29  -30 o   92.218   2.3197  2496.13  122.797  2430.08  163.949  2580.54  185.334   90.918   3.1223   93.518   3.4314 -2.600182 4.639328 
1 1 1    4   30  -30 o   64.480   3.2553  1249.07  121.108  1304.05  176.154  1199.79  166.775   65.806   4.6349   63.155   4.5723 2.650665 6.510682 
1 1 1    4   31  -30 o   16.708   5.4951 -124.4148  128.589 -199.3042  173.718 -33.6513  191.246   14.732   7.0688   18.683   8.4152 -3.950703 10.99018 
1 1 1    4   32  -30 o   81.285   4.3672  2050.65  200.781  2192.64  321.553  1959.92  257.050   82.978   6.7098   79.592   5.5920 3.386047 8.734468 
1 1 1    4   33  -30 o   52.697   4.4066  822.278  129.276  668.777  159.061  1120.99  221.889   46.117   5.9720   59.277   6.4813 -13.16042 8.813165 
1 1 1    4   34  -30 o   49.111   4.6116  772.120  126.634  753.404  159.973  803.531  207.243   48.959   5.6575   49.263   7.2841 -0.3033714 9.223120 
1 1 1    4   35  -30 o   73.505   5.1079  1659.95  183.713  2131.03  392.883  1528.13  207.834   77.085   8.8249   69.925   5.1463 7.159714 10.21583 
1 1 1    4    0  -31 o   92.579   3.5644  2489.17  188.255  2353.72  250.943  2663.53  284.709   89.730   4.8752   95.428   5.2011 -0.000000 0.000000 
1 1 1    4    1  -31 o  104.941   1.8454  3185.82  111.705  3201.63  162.278  3171.59  153.998  105.183   2.6713  104.699   2.5468 0.4843903 3.690811 
1 1 1    4    2  -31 o   90.512   4.5045  2404.27  234.049  2291.68  345.635  2499.62  318.072   88.477   6.7639   92.546   5.9509 -4.068787 9.009093 
1 1 1    4    3  -31 o  278.025   1.6682 22353.96  267.677 22222.06  371.237 22496.79  386.319  277.179   2.3190  278.871   2.3986 -1.692200 3.336338 
1 1 1    4    4  -31 o   30.045   6.5858  268.976  121.137  232.725  219.875  284.775  145.153   29.536   10.390   30.555   8.0959 -1.018896 13.17160 
1 1 1    4    5  -31 f  173.301   1.8554  8696.87  185.550  8847.77  258.512  8536.51  266.484  174.861   2.5598  171.740   2.6867 3.121262 3.710881 
1 1 1    4    6  -31 o   45.204   7.2217  661.012  178.229  739.016  216.060  494.897  315.298   50.142   7.4608   40.265   12.367 9.876984 14.44340 
1 1 1    4    7  -31 o   68.098   2.9307  1353.87  114.481  1422.88  155.686  1272.62  168.924   70.024   3.8496   66.172   4.4201 3.851837 5.861455 
1 1 1    4    8  -31 o   65.803   3.9107  1362.40  121.952  1450.86  140.227  1087.80  247.057   70.740   3.4323   60.865   7.0282 9.874626 7.821472 
1 1 1    4    9  -31 o  255.602   2.0080 18733.36  265.824 18502.78  312.123 19342.30  507.216  252.924   2.1367  258.279   3.4003 -5.355270 4.015929 
1 1 1    4   10  -31 o   35.742   6.4261  379.430  127.175  444.552  221.302  347.320  155.397   37.862   9.9793   33.621   8.0990 4.241592 12.85227 
1 1 1    4   11  -31 o   15.022   5.3177 -554.5386  157.969 -431.8922  281.424 -610.9590  190.877   18.217   8.8050   11.828   5.9653 6.389405 10.63548 
1 1 1    4   12  -31 o   20.398   6.6382 -213.1760  155.649   12.844  305.821 -292.1898  180.820   26.322   11.274   14.474   7.0108 11.84830 13.27646 
1 1 1    4   13  -31 o  117.748   3.1264  4051.98  190.669  4005.71  359.576  4070.08  224.889  117.056   5.3188  118.440   3.2876 -1.384583 6.252835 
1 1 1    4   14  -31 o   24.241   6.8936   92.664  147.685   91.107  214.504   94.068  203.635   24.425   9.8565   24.058   9.6403 0.3670845 13.78713 
1 1 1    4   15  -31 o  140.564   2.0381  5745.71  162.981  5825.79  213.691  5634.35  251.999  141.792   2.6095  139.337   3.1315 2.454697 4.076185 
1 1 1    4   16  -31 o  140.318   2.0544  5692.24  162.593  5804.39  260.700  5620.85  208.003  141.378   3.1928  139.259   2.5862 2.119003 4.108840 
1 1 1    4   17  -31 o   37.049   7.0894  457.767  155.839  304.209  271.741  533.018  190.229   32.635   11.543   41.463   8.2342 -8.828247 14.17881 
1 1 1    4   18  -31 o   61.711   4.4580  1117.46  149.462  1095.52  182.025  1162.86  261.858   61.053   5.1622   62.369   7.2697 -1.315327 8.916091 
1 1 1    4   19  -31 o   17.508   5.8804 -326.0824  160.793 -90.0901  246.309 -501.3418  212.262   21.220   9.5547   13.797   6.8576 7.422495 11.76088 
1 1 1    4   20  -31 f   60.823   3.8239  1090.79  133.832  967.176  184.365  1228.47  194.582   57.143   5.5864   64.503   5.2232 -7.359871 7.647856 
1 1 1    4   21  -31 o  101.406   2.4653  3019.43  142.007  2906.19  219.421  3101.04  186.279   99.651   3.8125  103.162   3.1265 -3.511139 4.930565 
1 1 1    4   22  -31 o  107.025   3.6096  3474.03  192.696  3556.33  224.011  3239.82  377.876  110.263   3.5177  103.786   6.3041 6.477364 7.219142 
1 1 1    4   23  -31 o   48.167   5.4294  735.409  144.046  659.059  219.429  793.227  190.951   45.177   8.7259   51.156   6.4630 -5.979980 10.85872 
1 1 1    4   24  -31 f   41.796   6.2945  578.370  150.887  406.200  215.378  744.316  211.449   34.631   10.127   48.961   7.4778 -14.32927 12.58903 
1 1 1    4   25  -31 o  117.555   2.5359  4029.30  172.173  4029.30  172.173   0.0000   0.0000  117.555   2.5359  ?   ?       ?      ? 
1 1 1    4   26  -31 o   54.867   4.4326  954.294  135.430  741.645  202.291  1127.02  182.316   48.611   7.2054   61.123   5.1646 -12.51272 8.865161 
1 1 1    4   27  -31 o   52.094   3.6820  791.173  108.537  665.745  137.792  996.220  176.178   46.919   5.0850   57.269   5.3266 -10.35006 7.364100 
1 1 1    4   28  -31 o   72.482   2.8443  1554.28  118.634  1402.10  160.512  1737.50  176.119   68.583   4.0524   76.381   3.9924 -7.798683 5.688666 
1 1 1    4   29  -31 o   90.279   3.3743  2574.18  156.883  2738.38  188.107  2199.01  284.333   96.238   3.3843   84.320   5.8386 11.91783 6.748575 
1 1 1    4   30  -31 o   23.508   6.8966  121.816  154.148  174.376  225.178   75.463  211.464   25.042   10.101   21.974   9.3925 3.068100 13.79321 
1 1 1    4   31  -31 o   17.450   5.5492 -45.2664  122.026 -186.1000  193.909   47.072  157.013   15.858   7.5707   19.042   8.1153 -3.184619 11.09835 
1 1 1    4   32  -31 o   32.551   6.1878  432.663  134.482  536.378  156.147  134.760  264.636   40.796   6.6273   24.307   10.452 16.48814 12.37568 
1 1 1    4   33  -31 o   26.764   6.4989  263.883  123.418  210.168  186.469  305.759  164.642   24.762   9.4220   28.766   8.9536 -4.004284 12.99776 
1 1 1    4    0  -32 o   72.147   4.8200  1628.91  181.027  1328.05  299.264  1802.52  227.335   65.961   8.1967   78.333   5.0739 -0.000000 0.000000 
1 1 1    4    1  -32 o  128.198   1.9691  4756.17  145.403  4712.33  198.101  4807.37  214.089  127.570   2.6888  128.825   2.8775 -1.254486 3.938171 
1 1 1    4    2  -32 o  236.210   1.6397 16121.21  222.524 15919.80  298.921 16371.58  333.265  234.580   2.2064  237.839   2.4262 -3.259384 3.279393 
1 1 1    4    3  -32 o   44.683   7.1755  577.237  155.531  669.414  342.472  553.286  174.572   45.996   12.545   43.370   6.9695 2.626686 14.35105 
1 1 1    4    4  -32 f  181.874   2.1444  9569.17  225.244  9569.17  225.244   0.0000   0.0000  181.874   2.1444  ?   ?       ?      ? 
1 1 1    4    5  -32 o   67.079   4.8919  1275.54  175.788  1199.91  209.541  1455.21  322.991   64.053   5.6643   70.105   7.9773 -6.051865 9.783765 
1 1 1    4    6  -32 f   51.963   5.3369  819.699  152.300  621.991  215.309  1017.69  215.461   45.043   8.5901   58.883   6.3357 -13.83993 10.67383 
1 1 1    4    7  -32 o   44.210   5.6851  601.773  139.555  484.182  204.502  704.261  190.918   39.505   9.1439   48.914   6.7581 -9.408913 11.37029 
1 1 1    4    8  -32 o  221.359   1.7291 14187.50  221.041 14411.91  312.883 13963.90  312.315  223.111   2.4281  219.608   2.4624 3.503235 3.458231 
1 1 1    4    9  -32 o   52.599   7.2780  857.027  191.409  841.529  372.831  862.573  223.048   51.173   12.680   54.024   7.1487 -2.850124 14.55604 
1 1 1    4   10  -32 o  166.521   2.6234  7994.89  221.654  8199.13  435.950  7923.68  257.409  167.684   4.5015  165.358   2.6953 2.326202 5.246755 
1 1 1    4   11  -32 o   46.923   7.6919  642.662  177.780  806.152  378.016  596.232  201.448   49.809   13.002   44.037   8.2231 5.772057 15.38378 
1 1 1    4   12  -32 o   76.705   3.1660  1709.16  139.611  1493.52  190.889  1957.16  204.716   71.501   4.6225   81.909   4.3275 -10.40756 6.332061 
1 1 1    4   13  -32 o   49.180   5.2074  741.794  137.590  1029.53  199.417  480.367  190.083   59.123   5.8401   39.237   8.6233 19.88595 10.41475 
1 1 1    4   14  -32 o  103.654   3.1398  3173.65  183.527  2978.00  287.681  3307.93  238.323  100.780   4.9425  106.527   3.8736 -5.747078 6.279628 
1 1 1    4   15  -32 o   75.573   3.6273  1678.53  158.257  1689.93  227.364  1667.82  220.415   75.806   5.1932   75.341   5.0655 0.4645309 7.254583 
1 1 1    4   16  -32 o   45.794   5.8992  672.320  146.512  536.822  229.937  764.934  190.100   40.910   9.8499   50.679   6.4948 -9.769508 11.79846 
1 1 1    4   17  -32 o   62.162   3.5408  1149.39  123.773  1190.35  159.690  1087.77  195.885   63.717   4.3395   60.607   5.5962 3.110104 7.081594 
1 1 1    4   18  -32 o  104.952   3.2644  3388.77  155.046  3488.08  173.774  3001.08  343.338  109.533   2.7470  100.371   5.9228 9.162315 6.528846 
1 1 1    4   19  -32 o   49.394   7.0068  739.278  164.771  701.737  185.797  877.555  356.579   48.236   6.6693   50.552   12.325 -2.316040 14.01352 
1 1 1    4   20  -32 o   67.140   3.5847  1311.78  136.855  1192.90  175.906  1494.09  217.831   63.462   4.7994   70.818   5.3259 -7.356113 7.169322 
1 1 1    4   21  -32 o   86.185   3.1947  2267.25  145.363  2381.96  176.168  2022.54  257.313   90.179   3.3825   82.192   5.4206 7.986084 6.389358 
1 1 1    4   22  -32 o   60.197   3.9880  1088.43  137.544  913.793  188.569  1286.97  201.064   54.915   5.9456   65.480   5.3167 -10.56463 7.976048 
1 1 1    4   23  -32 o   42.864   6.7278  637.768  158.567  536.497  270.764  690.630  195.621   38.671   11.368   47.057   7.1980 -8.385632 13.45560 
1 1 1    4   24  -32 o   84.226   2.6634  2070.54  125.507  1991.49  157.639  2207.42  207.423   82.281   3.3172   86.172   4.1678 -3.890785 5.326782 
1 1 1    4   25  -32 o   27.937   6.7953  259.883  132.756  248.483  190.260  270.698  185.328   27.503   9.6654   28.370   9.5543 -0.8669643 13.59061 
1 1 1    4   26  -32 o   89.034   2.5620  2348.77  131.532  2335.51  191.089  2360.70  181.322   88.729   3.7289   89.339   3.5142 -0.6101608 5.123920 
1 1 1    4   27  -32 o   68.362   3.4352  1418.38  135.207  1535.17  190.692  1300.31  191.736   71.345   4.6279   65.378   5.0779 5.966660 6.870395 
1 1 1    4   28  -32 o   20.608   6.5485   31.261  132.430   69.656  142.538 -211.0073  358.048   19.295   7.9409   21.921   10.415 -2.625217 13.09692 
1 1 1    4   29  -32 o   18.705   6.1258 -86.4385  137.513 -126.9740  161.329   21.264  262.971   15.159   7.1385   22.251   9.9570 -7.092200 12.25156 
1 1 1    4   30  -32 o   35.616   8.0623  463.253  176.466  362.922  211.319  694.419  320.763   30.959   10.197   40.272   12.491 -9.313255 16.12462 
1 1 1    4   31  -32 o   51.695   6.4931  801.886  147.771  1265.12  362.039  709.284  161.869   56.130   11.553   47.261   5.9303 8.869560 12.98626 
1 1 1    4   32  -32 o   15.474   5.2020 -166.2161  123.483 -31.7221  193.739 -258.2326  160.250   18.126   8.2842   12.822   6.2941 5.304256 10.40404 
1 1 1    4    0  -33 o   14.251   7.0085 -249.3913  205.056 -210.0175  286.380 -290.8168  293.747   14.603   10.084   13.898   9.7357 -0.000000 0.000000 
1 1 1    4    1  -33 o   19.661   6.5477 -197.8146  154.705 -211.3662  175.731 -151.1312  326.163   15.339   7.2905   23.983   10.878 -8.643680 13.09543 
1 1 1    4    2  -33 o   49.414   5.8470  805.771  138.930  882.031  163.738  609.734  262.524   54.900   5.1641   43.927   10.492 10.97277 11.69399 
1 1 1    4    3  -33 o  113.489   2.0110  3730.60  131.599  3666.97  180.422  3802.94  192.371  112.467   2.7777  114.511   2.9087 -2.044441 4.021965 
1 1 1    4    4  -33 o   12.745   4.5381 -613.9022  146.645 -654.7888  231.489 -586.4962  189.523   13.580   6.8116   11.909   5.9984 1.671407 9.076295 
1 1 1    4    5  -33 o   28.345   7.7998  153.026  168.617  252.250  317.130  113.921  199.090   32.259   12.284   24.431   9.6149 7.827721 15.59969 
1 1 1    4    6  -33 o   68.217   3.5696  1365.03  140.243  1480.31  198.283  1249.62  198.386   71.145   4.8257   65.289   5.2612 5.855835 7.139137 
1 1 1    4    7  -33 f  127.945   3.1969  4937.52  206.524  5118.73  242.207  4454.81  395.305  132.762   3.1588  123.128   5.5589 9.634766 6.393741 
1 1 1    4    8  -33 o   59.921   4.5733  1118.50  139.564  936.600  257.117  1194.48  166.175   55.909   7.9627   63.932   4.5005 -8.022755 9.146529 
1 1 1    4    9  -33 o   83.763   3.8745  2044.99  187.438   0.0000   0.0000  2044.99  187.438  ?   ?    83.763   3.8745      ?      ? 
1 1 1    4   10  -33 f   87.095   4.2949  2219.20  185.164  2290.93  377.350  2196.45  212.508   87.486   7.4683   86.703   4.2438 0.7822952 8.589832 
1 1 1    4   11  -33 o  116.093   2.5864  3928.03  173.403  3861.72  244.625  3995.00  245.839  115.102   3.6799  117.084   3.6355 -1.982407 5.172870 
1 1 1    4   12  -33 f   29.748   6.7377  258.592  136.497  378.782  197.138  147.911  189.179   34.503   9.5620   24.992   9.4948 9.511820 13.47531 
1 1 1    4   13  -33 o   34.283   7.0073  373.235  147.240  432.417  213.471  319.529  203.357   36.657   9.8656   31.910   9.9539 4.746971 14.01465 
1 1 1    4   14  -33 o   23.554   6.3223   1.3938  136.357 -201.6253  174.837  316.621  217.859   15.288   7.2679   31.820   10.347 -16.53215 12.64451 
1 1 1    4   15  -33 o   63.010   5.5785  1107.54  175.940  1437.61  369.589  1010.83  200.064   67.806   9.4377   58.214   5.9505 9.592125 11.15699 
1 1 1    4   16  -33 o   50.105   4.7479  737.898  133.824  847.650  220.734  674.112  168.278   52.794   7.2394   47.416   6.1449 5.377575 9.495728 
1 1 1    4   17  -33 o   89.877   2.6800  2397.07  134.457  2484.19  171.477  2258.00  216.650   92.219   3.2196   87.536   4.2854 4.683296 5.360048 
1 1 1    4   18  -33 o   34.157   6.6381  424.427  143.714  172.106  261.985  533.038  171.884   27.281   10.934   41.033   7.5305 -13.75146 13.27611 
1 1 1    4   19  -33 o   13.649   4.7696 -368.6668  132.143 -342.7469  167.938 -410.8029  214.121   12.751   6.2946   14.548   7.1676 -1.797184 9.539186 
1 1 1    4   20  -33 f   27.801   6.5359  263.217  130.540   17.597  268.408  339.316  149.400   23.430   10.293   32.172   8.0580 -8.741375 13.07180 
1 1 1    4   21  -33 o   62.588   3.6332  1189.45  129.488  1253.25  172.607  1107.33  195.831   64.772   4.6141   60.404   5.6135 4.368526 7.266404 
1 1 1    4   22  -33 o   37.401   6.6280  464.718  145.710  665.127  223.784  317.221  191.983   44.368   9.0402   30.433   9.6953 13.93419 13.25608 
1 1 1    4   23  -33 o   53.212   4.4449  875.996  124.233  873.468  148.206  881.969  227.831   53.864   4.7641   52.560   7.5054 1.304398 8.889765 
1 1 1    4   24  -33 o   70.746   5.2765  1659.92  160.351  1697.11  177.780  1497.67  371.341   75.424   4.0812   66.068   9.7318 9.355400 10.55296 
1 1 1    4   25  -33 o   57.446   4.8107  1044.61  159.122  946.564  222.386  1147.47  227.774   54.484   7.0673   60.407   6.5287 -5.923435 9.621390 
1 1 1    4   26  -33 o   34.588   6.7056  461.150  143.470  546.781  174.849  284.689  250.999   40.441   7.7685   28.735   10.932 11.70526 13.41111 
1 1 1    4   27  -33 o   37.177   6.6839  495.553  142.436  524.565  220.401  474.746  186.650   37.705   9.9692   36.649   8.9057 1.055676 13.36771 
1 1 1    4   28  -33 o   25.889   7.5433  199.980  155.225  109.393  402.154  215.839  168.264   26.558   12.059   25.221   9.0656 1.336651 15.08652 
1 1 1    4   29  -33 o   41.512   6.8197  641.991  153.847  642.151  267.333  641.912  188.120   39.793   11.173   43.231   7.8225 -3.438278 13.63940 
1 1 1    4   30  -33 o   24.501   7.0850  190.505  145.164  159.673  310.729  199.113  164.182   24.994   11.024   24.008   8.9030 0.9862537 14.16995 
1 1 1    4    0  -34 o   51.858   6.2903  885.875  161.981  1007.55  214.305  723.734  247.391   57.535   6.6847   46.180   10.658 -0.000000 0.000000 
1 1 1    4    1  -34 o   32.173   6.5994  321.179  129.193  359.031  194.903  291.513  172.547   33.726   9.5652   30.620   9.0947 3.106373 13.19875 
1 1 1    4    2  -34 o   79.828   3.3144  1863.08  152.588  1775.83  209.066  1962.54  223.211   77.843   4.6503   81.813   4.7240 -3.970581 6.628796 
1 1 1    4    3  -34 o   16.527   5.5595 -223.0630  141.163 -347.1143  240.301 -157.6975  174.433   16.950   8.1787   16.105   7.5325 0.8450832 11.11892 
1 1 1    4    4  -34 o   15.636   5.1923 -162.4950  118.293 -174.5455  158.895 -147.5119  177.178   14.816   7.0097   16.456   7.6618 -1.640596 10.38455 
1 1 1    4    5  -34 o   55.215   5.1370  935.529  157.884  1013.44  203.940  818.989  249.428   58.468   6.0395   51.962   8.3114 6.506031 10.27395 
1 1 1    4    6  -34 o  111.220   2.2387  3514.72  133.225  3382.53  159.266  3822.74  243.121  107.964   2.5542  114.475   3.6773 -6.510925 4.477319 
1 1 1    4    7  -34 o   47.129   8.6224  740.774  236.031  740.772  321.454  740.777  347.684   47.281   11.807   46.976   12.569 0.3050232 17.24479 
1 1 1    4    8  -34 o   74.575   4.9594  1711.19  192.915  1567.07  350.322  1773.92  231.114   71.608   8.4707   77.543   5.1606 -5.934250 9.918880 
1 1 1    4    9  -34 o   32.084   8.0229  223.172  179.843  539.476  330.874   90.542  214.256   40.216   12.719   23.951   9.7822 16.26547 16.04582 
1 1 1    4   10  -34 o   78.328   4.7827  1932.87  181.637  2020.92  209.994  1671.29  361.943   82.941   4.3838   73.714   8.5017 9.226936 9.565351 
1 1 1    4   11  -34 o   73.715   3.5225  1612.21  147.236  1573.54  229.516  1639.25  191.934   72.789   5.4596   74.640   4.4524 -1.850952 7.044950 
1 1 1    4   12  -34 o   41.166   6.2975  535.120  145.163  429.469  192.836  673.284  220.521   36.359   9.1812   45.973   8.6222 -9.613983 12.59509 
1 1 1    4   13  -34 o   46.607   5.9896  687.545  157.124  609.875  222.295  765.091  222.118   43.338   9.1675   49.876   7.7109 -6.537876 11.97917 
1 1 1    4   14  -34 o   48.965   6.5673  741.666  170.247  912.936  300.420  660.642  206.630   52.397   10.295   45.532   8.1572 6.865116 13.13460 
1 1 1    4   15  -34 o   18.022   5.8601 -118.4964  142.135 -231.0722  220.029 -37.8771  186.198   17.114   8.1409   18.931   8.4315 -1.817015 11.72026 
1 1 1    4   16  -34 o   69.462   3.9635  1478.87  155.463  1295.88  236.166  1618.80  206.520   65.241   6.2677   73.682   4.8531 -8.440750 7.926937 
1 1 1    4   17  -34 o   41.426   5.4842  552.084  126.309  519.567  174.874  587.553  182.636   40.081   7.8353   42.771   7.6756 -2.690350 10.96842 
1 1 1    4   18  -34 o   14.036   5.0176 -835.1630  195.864 -804.3276  263.704 -873.1051  292.518   13.651   6.9002   14.420   7.2864 -0.7692041 10.03516 
1 1 1    4   19  -34 o   63.033   5.8583  1237.48  195.364  1170.18  231.785  1402.59  363.049   61.440   6.5320   64.627   9.7268 -3.186646 11.71654 
1 1 1    4   20  -34 f   32.323   6.5855  347.826  125.670  306.896  156.670  421.680  210.450   30.108   8.5886   34.538   9.9855 -4.429230 13.17093 
1 1 1    4   21  -34 o   60.216   3.7786  1104.92  131.359  1109.50  188.529  1100.60  183.129   60.296   5.4138   60.137   5.2727 0.1590538 7.557148 
1 1 1    4   22  -34 o   48.370   5.5011  755.110  153.294  816.771  226.607  703.085  208.147   50.152   7.8235   46.588   7.7358 3.563492 11.00230 
1 1 1    4   23  -34 o   64.400   4.0997  1270.37  151.410  1179.32  200.235  1391.94  231.376   61.874   5.6033   66.926   5.9860 -5.051533 8.199392 
1 1 1    4   24  -34 o   18.158   5.7599 -18.1910  121.752   6.9194  150.593 -65.5793  206.877   17.686   7.7409   18.629   8.5314 -0.9434528 11.51980 
1 1 1    4   25  -34 o   30.355   6.1252  321.672  117.409  437.566  168.667  212.722  163.536   35.498   8.3643   25.213   8.9505 10.28493 12.25043 
1 1 1    4   26  -34 o   17.765   6.3279 -529.3392  183.803 -92.5395  391.554 -652.7927  208.162   23.655   11.134   11.874   6.0165 11.78122 12.65572 
1 1 1    4   27  -34 o   35.602   5.9772  449.217  120.171  431.426  159.014  472.909  183.499   35.105   8.0187   36.099   8.8660 -0.9937706 11.95430 
1 1 1    4   28  -34 f   18.567   6.0180 -40.8687  140.074   26.257  231.281 -79.7544  176.031   20.662   9.2853   16.471   7.6581 4.190569 12.03591 
1 1 1    4    0  -35 o   10.839   7.9840 -925.4976  182.403 -1025.1930  357.995 -890.5419  211.982   10.839   7.9840   10.839   7.9840 -0.000000 0.000000 
1 1 1    4    1  -35 o  138.027   2.2451  5457.03  158.249  5763.46  310.201  5349.22  183.992  140.304   3.8281  135.749   2.3468 4.554596 4.490230 
1 1 1    4    2  -35 o   56.699   3.6922  952.518  120.904  951.386  171.439  953.637  170.532   56.660   5.2390   56.737   5.2042 -0.7657242E-01 7.384477 
1 1 1    4    3  -35 o   18.386   6.0762 -186.5237  158.716 -135.5929  238.472 -227.0246  212.657   19.792   9.0990   16.979   8.0554 2.812464 12.15242 
1 1 1    4    4  -35 o   66.928   3.1747  1314.06  121.415  1284.31  159.711  1354.79  186.886   66.120   4.1823   67.735   4.7772 -1.614944 6.349315 
1 1 1    4    5  -35 o   99.569   2.6577  2895.84  152.258  2993.71  226.843  2815.59  205.401  101.047   3.8870   98.092   3.6256 2.955811 5.315463 
1 1 1    4    6  -35 o   33.700   7.0297  370.794  145.844  376.732  215.849  365.805  197.835   33.912   10.195   33.488   9.6814 0.4246521 14.05931 
1 1 1    4    7  -35 o   73.067   4.2559  1619.86  159.993  1643.20  188.815  1560.44  301.292   74.661   4.3788   71.473   7.2990 3.188568 8.511703 
1 1 1    4    8  -35 o   71.402   3.2650  1499.92  133.066  1457.64  174.285  1559.01  206.047   70.317   4.2916   72.488   4.9217 -2.170715 6.529982 
1 1 1    4    9  -35 o   65.644   5.0239  1281.71  190.470   0.0000   0.0000  1281.71  190.470  ?   ?    65.644   5.0239      ?      ? 
1 1 1    4   10  -35 o   18.151   5.8731 -125.7408  143.089 -261.8027  209.930  -7.6796  195.551   16.170   7.7619   20.133   8.8162 -3.962408 11.74612 
1 1 1    4   11  -35 o   80.795   3.2293  1911.07  150.688  1911.07  150.688   0.0000   0.0000   80.795   3.2293  ?   ?       ?      ? 
1 1 1    4   12  -35 o   23.018   6.9065   71.038  153.482  114.342  182.017 -35.5203  285.521   22.914   9.1375   23.122   10.359 -0.2074928 13.81299 
1 1 1    4   13  -35 f   80.569   2.8625  1931.86  132.179  1797.40  194.897  2046.39  179.866   77.816   4.3366   83.323   3.7377 -5.506332 5.725060 
1 1 1    4   14  -35 o   27.128   6.4437  235.453  117.633  231.755  151.507  241.067  186.656   26.761   8.6221   27.495   9.5784 -0.7340260 12.88745 
1 1 1    4   15  -35 o   30.492   7.0393  313.972  140.771  325.265  222.473  306.432  181.791   30.877   10.468   30.107   9.4146 0.7701015 14.07862 
1 1 1    4   16  -35 o   56.358   4.6634  975.569  140.516  956.185  169.144  1018.74  252.432   56.218   5.2095   56.498   7.7362 -0.2801552 9.326743 
1 1 1    4   17  -35 o  147.705   1.9211  6374.22  162.167  6468.56  248.677  6304.41  213.908  148.516   2.8992  146.894   2.5214 1.622223 3.842211 
1 1 1    4   18  -35 o   27.770   6.6576  194.224  140.672  468.217  223.234   13.761  181.169   36.055   10.241   19.484   8.5103 16.57069 13.31520 
1 1 1    4   19  -35 o   68.023   4.8105  1554.06  163.139  1686.56  194.279  1237.20  300.428   74.911   4.4905   61.134   8.5089 13.77732 9.621083 
1 1 1    4   20  -35 o   54.618   4.1673  933.797  129.715  1054.38  179.139  800.878  188.079   58.731   5.2813   50.505   6.4479 8.225506 8.334694 
1 1 1    4   21  -35 o   36.613   6.8826  524.791  153.445  315.886  295.706  601.771  179.503   29.968   11.741   43.259   7.1847 -13.29163 13.76518 
1 1 1    4   22  -35 o   20.138   6.2196   30.542  137.143 -18.2932  210.844   66.356  180.559   19.691   8.8557   20.586   8.7356 -0.8943806 12.43926 
1 1 1    4   23  -35 o   47.511   5.2437  752.833  137.474  798.103  182.290  693.130  209.340   50.182   6.2897   44.840   8.3919 5.341480 10.48738 
1 1 1    4   24  -35 o   24.052   6.8004  172.374  141.293  170.106  223.841  173.876  182.172   24.375   9.9819   23.728   9.2381 0.6467266 13.60076 
1 1 1    4   25  -35 o   36.781   7.3764  507.120  151.721  604.857  292.600  471.178  177.438   37.385   11.976   36.178   8.6156 1.207058 14.75273 
1 1 1    4   26  -35 o   49.614   4.6927  808.145  132.231  808.839  205.271  807.653  172.879   49.057   7.2450   50.171   5.9663 -1.113964 9.385462 
1 1 1    4    0  -36 f   74.700   5.7670  1739.57  239.606  1567.58  339.649  1909.96  338.065   70.553   8.6891   78.847   7.5851 -0.000000 0.000000 
1 1 1    4    1  -36 o   32.383   6.7814  356.902  133.036  288.248  240.853  387.043  159.590   30.256   10.849   34.510   8.1392 -4.254606 13.56288 
1 1 1    4    2  -36 o   40.230   6.0988  521.543  141.099  687.034  205.522  373.997  194.059   47.012   7.5694   33.448   9.5647 13.56422 12.19755 
1 1 1    4    3  -36 o   21.819   5.8742 -24.1210  116.559  302.970  198.108 -197.2981  144.149   30.388   9.8662   13.250   6.3785 17.13823 11.74847 
1 1 1    4    4  -36 o   77.109   3.3555  1775.80  148.622  1705.47  219.139  1835.70  202.243   75.552   5.0221   78.666   4.4514 -3.114433 6.710959 
1 1 1    4    5  -36 f   16.097   5.4854 -277.7748  151.388 -268.1056  207.140 -288.8611  221.800   15.859   7.6373   16.335   7.8759 -0.4765558 10.97081 
1 1 1    4    6  -36 o   70.445   3.2021  1440.92  121.358  1382.96  145.815  1571.55  218.910   68.536   3.6838   72.353   5.2387 -3.817253 6.404243 
1 1 1    4    7  -36 o   32.648   6.3780  365.733  125.723  418.806  161.865  285.025  199.608   35.812   8.0248   29.484   9.9156 6.327719 12.75607 
1 1 1    4    8  -36 f   86.687   3.8770  2213.46  166.091  2382.70  341.497  2161.02  190.088   87.833   6.7320   85.541   3.8477 2.291687 7.754010 
1 1 1    4    9  -36 o   32.683   6.6637  337.701  132.001  498.329  215.895  241.807  166.812   38.057   9.7720   27.310   9.0625 10.74713 13.32747 
1 1 1    4   10  -36 o   39.163   6.1339  489.971  127.429  449.032  153.364  581.261  229.014   37.275   7.3850   41.051   9.7959 -3.775883 12.26776 
1 1 1    4   11  -36 o   25.250   7.4310  130.677  175.322  118.914  223.332  149.567  283.023   24.053   9.9242   26.447   11.063 -2.394484 14.86203 
1 1 1    4   12  -36 o   58.232   4.5145  1045.50  151.461  1125.99  223.774  977.452  205.756   60.263   6.4295   56.201   6.3390 4.061363 9.028901 
1 1 1    4   13  -36 o   48.089   6.9235  647.222  143.073  1069.86  372.251  573.968  154.977   53.117   12.366   43.061   6.2316 10.05582 13.84709 
1 1 1    4   14  -36 f   52.201   3.9587  833.748  119.302  816.721  165.902  851.981  171.683   51.670   5.5594   52.732   5.6373 -1.061924 7.917470 
1 1 1    4   15  -36 o   22.637   6.3054  131.332  120.669  121.648  162.507  143.234  180.159   22.006   8.6783   23.268   9.1498 -1.262476 12.61083 
1 1 1    4   16  -36 o   68.449   2.9161  1401.49  115.117  1431.13  159.792  1369.51  165.985   69.273   3.9940   67.624   4.2499 1.649452 5.832114 
1 1 1    4   17  -36 o   28.424   6.7326  265.089  128.930  198.728  165.195  368.506  206.223   24.913   8.9796   31.936   10.034 -7.022150 13.46524 
1 1 1    4   18  -36 o   44.070   5.4101  610.869  123.117  717.591  229.350  567.667  145.924   45.421   9.0605   42.718   5.9147 2.703510 10.82019 
1 1 1    4   19  -36 o   28.028   6.9243  276.454  135.927  255.123  229.314  288.009  168.773   27.465   10.449   28.590   9.0885 -1.125265 13.84856 
1 1 1    4   20  -36 o   58.944   4.6467  1112.77  156.885  965.195  222.090  1259.75  221.647   54.611   7.0415   63.276   6.0651 -8.664810 9.293422 
1 1 1    4   21  -36 o   34.015   7.3621  448.735  161.518  530.437  223.474  359.377  233.711   37.455   10.100   30.575   10.714 6.879742 14.72420 
1 1 1    4   22  -36 o   40.914   6.3216  631.293  149.401  415.888  226.079  798.292  199.061   32.472   10.540   49.356   6.9833 -16.88475 12.64310 
1 1 1    4   23  -36 o   14.754   5.2340 -563.6205  185.510 -633.2253  301.913 -521.4017  235.134   15.624   7.8284   13.884   6.9494 1.740241 10.46797 
1 1 1    4    0  -37 o   15.209   7.2580 -72.0018  184.881 -143.9558  291.336 -23.4876  239.222   15.045   10.334   15.372   10.195 -0.000000 0.000000 
1 1 1    4    1  -37 f   21.606   6.4312   35.665  139.553 -65.4557  184.746  170.032  212.962   17.947   8.1584   25.265   9.9439 -7.318069 12.86233 
1 1 1    4    2  -37 o   26.266   7.1727  180.113  151.969  112.759  193.509  288.501  245.476   22.922   9.3218   29.610   10.904 -6.687681 14.34547 
1 1 1    4    3  -37 o   47.883   4.6619  700.952  127.026  780.219  201.025  648.264  163.892   49.898   6.9757   45.869   6.1867 4.028927 9.323873 
1 1 1    4    4  -37 o   15.374   5.2000 -244.2662  135.104 -101.0085  183.609 -413.4171  199.513   17.137   7.9164   13.610   6.7446 3.527130 10.39998 
1 1 1    4    5  -37 o   69.640   3.2170  1448.29  129.200  1363.03  177.268  1544.89  188.701   67.460   4.5499   71.820   4.5493 -4.359779 6.434069 
1 1 1    4    6  -37 o   29.153   7.5354  253.449  133.859  240.480  145.631  324.080  339.858   26.927   8.4274   31.379   12.494 -4.452124 15.07086 
1 1 1    4    7  -37 o   64.506   5.5330  1294.42  192.612  1469.12  346.062  1216.00  231.841   66.475   9.0139   62.537   6.4190 3.937714 11.06591 
1 1 1    4    8  -37 o   28.697   9.8787  279.580  198.259   0.0000   0.0000  279.580  198.259  ?   ?    28.697   9.8787      ?      ? 
1 1 1    4    9  -37 o   30.948   6.9897  341.900  135.362  364.729  156.102  272.705  271.772   32.845   8.2423   29.052   11.291 3.793369 13.97935 
1 1 1    4   10  -37 o   61.388   5.0109  1235.72  146.645  1275.49  168.395  1110.93  298.318   65.178   4.4734   57.597   8.9679 7.580589 10.02173 
1 1 1    4   11  -37 o   68.841   4.1719  1441.33  164.076  1308.75  213.766  1631.43  255.974   65.221   5.6750   72.460   6.1166 -7.238869 8.343790 
1 1 1    4   12  -37 o   42.347   8.2210  676.541  205.715  594.250  270.719  788.986  316.456   39.563   11.291   45.131   11.952 -5.567516 16.44206 
1 1 1    4   13  -37 o   92.649   2.5179  2559.83  130.607  2606.95  166.546  2484.58  210.490   94.078   3.0652   91.220   3.9953 2.857628 5.035709 
1 1 1    4   14  -37 o   34.023   6.0406  397.526  117.718  430.430  179.264  372.579  156.088   35.081   8.8488   32.965   8.2252 2.115730 12.08121 
1 1 1    4   15  -37 o   67.655   3.7967  1456.74  133.058  1283.83  240.380  1533.13  159.767   63.652   6.5388   71.659   3.8604 -8.006802 7.593366 
1 1 1    4   16  -37 o   25.893   6.5661  216.869  132.756  323.623  181.794   94.894  194.322   29.975   9.4214   21.812   9.1483 8.162745 13.13219 
1 1 1    4   17  -37 o   14.482   4.9852 -258.5400  132.353 -353.6356  212.822 -198.5671  169.011   14.618   7.1911   14.346   6.9063 0.2714224 9.970380 
1 1 1    4   18  -37 o   38.816   6.6754  549.544  146.260  539.120  189.148  565.045  230.658   39.070   8.6142   38.562   10.200 0.5083122 13.35072 
1 1 1    4   19  -37 o   34.693   6.0094  476.354  123.307  271.980  226.222  562.739  147.076   27.325   10.382   42.062   6.0544 -14.73713 12.01877 
1 1 1    4   20  -37 o   12.981   4.5998 -489.2256  147.437 -505.9860  214.407 -474.1910  203.069   13.111   6.5733   12.851   6.4361 0.2603884 9.199613 
1 1 1    4   21  -37 o   43.853   6.0548  694.221  147.352  701.160  218.067  688.390  199.892   43.647   8.9510   44.058   8.1561 -0.4107742 12.10959 
1 1 1    4    0  -38 o   11.192   5.8038 -710.6328  225.977 -775.6103  295.946 -619.7709  349.963   10.030   7.3766   12.354   8.9622 -0.000000 0.000000 
1 1 1    4    1  -38 o   25.644   6.6106  205.875  127.545  162.890  173.593  256.301  188.021   23.748   9.0778   27.540   9.6123 -3.791973 13.22126 
1 1 1    4    2  -38 o   81.276   2.9548  1936.71  134.092  1829.11  167.407  2129.32  223.982   78.497   3.6926   84.055   4.6139 -5.557838 5.909595 
1 1 1    4    3  -38 o   28.176   6.0092  238.366  135.877  491.507  182.831 -73.9467  203.078   37.923   8.5517   18.430   8.4447 19.49269 12.01847 
1 1 1    4    4  -38 o   39.682   6.8833  659.481  153.829  750.710  172.167  298.381  342.530   49.146   6.0656   30.218   12.358 18.92797 13.76659 
1 1 1    4    5  -38 f   18.260   6.1447 -95.8501  136.714 -380.7069  360.512 -48.0045  147.750   20.336   9.8619   16.183   7.3329 4.153173 12.28938 
1 1 1    4    6  -38 o   73.009   4.7733  1637.45  177.104  1797.23  348.574  1581.85  205.622   73.842   8.1735   72.177   4.9327 1.664650 9.546631 
1 1 1    4    7  -38 o   24.106   6.9092  121.126  142.559  261.763  250.165   53.491  173.484   28.131   10.861   20.082   8.5437 8.048502 13.81839 
1 1 1    4    8  -38 o   33.272   7.5360  426.537  173.482  261.894  281.800  527.014  220.142   28.423   11.358   38.121   9.9078 -9.698870 15.07201 
1 1 1    4    9  -38 o   23.391   6.1260  125.568  127.546 -76.8188  186.808  302.301  174.567   17.505   8.0498   29.277   9.2365 -11.77135 12.25200 
1 1 1    4   10  -38 o   28.583   7.2806  289.905  157.202  350.478  206.781  206.953  241.982   30.955   10.081   26.211   10.507 4.743910 14.56113 
1 1 1    4   11  -38 o   22.148   7.1447  -3.6227  185.088   14.011  216.195 -52.0149  358.152   20.566   9.1266   23.730   10.995 -3.163839 14.28944 
1 1 1    4   12  -38 o   84.786   2.6017  2144.50  127.351  2174.73  178.520  2113.19  181.725   85.439   3.6178   84.133   3.7399 1.306145 5.203433 
1 1 1    4   13  -38 o   32.141   6.4767  390.901  127.284  437.833  154.920  293.404  223.288   35.862   7.7091   28.419   10.409 7.442497 12.95330 
1 1 1    4   14  -38 o   54.204   3.9131  931.098  118.147  846.435  187.863  986.494  151.961   51.527   6.3128   56.881   4.6257 -5.354546 7.826151 
1 1 1    4   15  -38 o   19.684   6.0821 -25.7719  137.783 -179.9973  183.576  173.185  208.506   15.287   7.3166   24.080   9.7176 -8.793890 12.16411 
1 1 1    4   16  -38 o   89.582   3.1227  2442.17  161.315  2535.89  236.137  2360.17  220.893   91.112   4.4875   88.051   4.3437 3.061485 6.245435 
1 1 1    4   17  -38 o   34.587   6.5324  456.162  145.979  237.722  205.980  676.588  206.914   25.739   9.8765   43.436   8.5525 -17.69739 13.06489 
1 1 1    4    0  -39 o   37.731   11.368  710.654  254.945  835.722  375.363  603.553  347.358   41.790   16.294   33.672   15.855 -0.000000 0.000000 
1 1 1    4    1  -39 o   51.302   5.3727  909.822  143.168  1029.89  181.935  714.563  232.016   57.708   5.4587   44.896   9.2556 12.81257 10.74545 
1 1 1    4    2  -39 o   12.453   4.4656 -725.6127  162.618 -676.4138  216.048 -789.9196  247.002   12.128   6.1434   12.777   6.4826 -0.6491280 8.931155 
1 1 1    4    3  -39 o   56.229   7.0842  1228.57  163.553  1287.38  181.180  969.700  380.134   64.972   4.8283   47.485   13.320 17.48692 14.16835 
1 1 1    4    4  -39 o   58.755   7.1316  1290.43  212.193  1098.98  371.124  1383.42  258.639   51.908   12.524   65.603   6.8263 -13.69522 14.26320 
1 1 1    4    5  -39 o   34.981   7.0818  539.384  175.103   59.968  382.090  666.837  197.008   25.663   11.692   44.298   7.9946 -18.63535 14.16368 
1 1 1    4    6  -39 o   23.404   6.6848 -15.8501  159.845  393.471  254.456 -282.6628  205.439   31.740   11.176   15.067   7.3380 16.67341 13.36951 
1 1 1    4    7  -39 o   76.361   3.8169  1801.37  164.961  1771.35  212.734  1846.65  261.248   76.083   4.8414   76.640   5.9022 -0.5578842 7.633747 
1 1 1    4    8  -39 o   26.269   7.0086  229.335  144.281  177.317  189.783  300.574  222.095   24.017   9.4073   28.522   10.392 -4.505386 14.01717 
1 1 1    4    9  -39 o   15.056   5.3747 -486.8308  170.139 -420.2776  192.876 -720.2399  361.204   12.918   6.4394   17.194   8.6073 -4.275611 10.74947 
1 1 1    4   10  -39 o   38.360   7.3807  620.873  168.464  671.761  189.951  433.339  364.647   45.035   7.3030   31.685   12.828 13.35016 14.76147 
1 1 1    4   11  -39 o   60.186   3.7775  1133.16  131.007  1078.96  188.090  1184.22  182.578   58.599   5.5576   61.772   5.1176 -3.173130 7.554928 
1 1 1    4   12  -39 f   18.231   5.9713 -68.9487  149.170 -70.8810  208.585 -66.9260  213.413   18.101   8.3882   18.362   8.5007 -0.2613029 11.94253 
1 1 1    4   13  -39 o   30.123   7.3915  370.485  158.746  316.111  256.660  404.173  202.024   28.209   10.970   32.036   9.9094 -3.826941 14.78309 
1 1 1    4    0  -40 o   59.267   8.7982  1314.12  265.019  1376.19  383.658  1257.48  366.517   60.806   12.341   57.728   12.543 -0.000000 0.000000 
1 1 1    4    1  -40 o   47.029   5.8315  784.943  149.369  687.053  232.116  854.131  195.141   42.829   9.6191   51.229   6.5955 -8.400288 11.66305 
1 1 1    4    2  -40 o   22.680   6.7041  109.754  158.692  239.114  204.488 -86.1123  251.621   25.907   9.8646   19.452   9.0812 6.455132 13.40813 
1 1 1    4    3  -40 o   16.622   7.8998 -154.4596  206.269 -154.4596  206.269   0.0000   0.0000   16.622   7.8998  ?   ?       ?      ? 
1 1 1    4    4  -40 o   36.504   6.6596  521.690  141.941  576.569  178.572  427.517  233.923   40.660   7.8889   32.348   10.732 8.312340 13.31926 
1 1 1    4    5  -40 o   13.569   4.8534 -607.4490  167.423 -565.6158  275.739 -631.8774  210.710   15.128   7.5654   12.010   6.0818 3.117957 9.706871 
1 1 1    4    6  -40 o   21.474   6.4896   79.903  138.681  193.465  228.860   14.007  174.334   24.538   10.076   18.410   8.1813 6.127985 12.97917 
1 1 1    4    7  -40 o   26.695   7.3825  262.437  155.984  280.712  294.873  255.336  183.807   27.224   11.332   26.167   9.4657 1.056919 14.76510 
1 1 1    5    0    0 -   9.1295   4.2744 -50.0560   62.127   27.186   88.874 -123.8744   86.882   11.294   6.9643   6.9649   4.9579 -0.000000 0.000000 
1 1 1    5    1    0 o  211.998   1.6352 12983.80  200.157 12883.76  282.504 13084.64  283.629  211.178   2.3169  212.819   2.3082 -0.000000 0.000000 
1 1 1    5    2    0 o  198.624   1.0719 11394.59  122.942 11421.56  174.850 11368.21  172.898  198.856   1.5226  198.392   1.5092 -0.000000 0.000000 
1 1 1    5    3    0 o  403.653   1.7665 47060.82  411.794 47041.11  581.649 47080.63  583.083  403.568   2.4957  403.737   2.5008 -0.000000 0.000000 
1 1 1    5    4    0 o   16.009   4.5895  102.960   44.193  135.083   62.461   70.759   62.536   19.080   6.3614   12.938   6.6171 -0.000000 0.000000 
1 1 1    5    5    0 o   73.275   1.4220  1550.45   58.068  1568.24   95.468  1540.01   73.156   73.587   2.2511   72.963   1.7383 -0.000000 0.000000 
1 1 1    5    6    0 o   43.764   1.8319  558.361   45.899  531.773   63.862  586.771   66.013   42.672   2.6137   44.856   2.5674 -0.000000 0.000000 
1 1 1    5    7    0 o  632.588   2.6596 115593.20  971.603 114774.80  1372.35 116415.60  1375.76  630.342   3.7700  634.833   3.7526 -0.000000 0.000000 
1 1 1    5    8    0 o   9.4953   4.3049   3.8322   52.363 -45.3749   97.363   23.857   62.110   9.2861   6.2638   9.7044   5.9072 -0.000000 0.000000 
1 1 1    5    9    0 f   30.730   4.3636  297.517   67.775  268.846   87.557  340.377  107.052   28.843   5.9534   32.618   6.3812 -0.000000 0.000000 
1 1 1    5   10    0 o  114.974   1.5547  3825.17  103.045  3926.60  143.842  3718.24  147.691  116.546   2.1386  113.401   2.2570 -0.000000 0.000000 
1 1 1    5   11    0 o  280.210   1.6314 22637.64  249.749 22550.31  306.689 22809.56  430.311  279.421   1.9006  280.999   2.6520 -0.000000 0.000000 
1 1 1    5   12    0 o  128.815   1.2935  4814.42   88.060  4844.03  105.342  4745.70  160.456  129.492   1.4089  128.137   2.1696 -0.000000 0.000000 
1 1 1    5   13    0 o  649.897   2.7399 121995.70  1028.32 122510.20  1458.50 121487.20  1450.07  651.259   3.8780  648.534   3.8717 -0.000000 0.000000 
1 1 1    5   14    0 o  273.116   1.3176 21543.91  207.802 21418.53  293.765 21669.49  293.988  272.320   1.8680  273.911   1.8586 -0.000000 0.000000 
1 1 1    5   15    0 o  234.766   1.5147 15990.80  193.526 15708.30  333.879 16133.73  237.490  233.186   2.4798  236.346   1.7401 -0.000000 0.000000 
1 1 1    5   16    0 o  744.970   3.1304 160305.41  1346.73 160224.91  1912.02 160384.59  1897.21  744.784   4.4454  745.157   4.4088 -0.000000 0.000000 
1 1 1    5   17    0 o  399.441   2.4784 46090.84  571.631 45829.47  809.535 46350.75  807.287  398.311   3.5197  400.572   3.4901 -0.000000 0.000000 
1 1 1    5   18    0 o  1048.32   6.1582 317594.31  3727.74 320930.81  5297.45 314321.59  5246.57  1053.77   8.7057  1042.86   8.7123 -0.000000 0.000000 
1 1 1    5   19    0 o  442.566   2.7451 56588.24  701.242 58676.34  994.571 54524.04  988.866  450.690   3.8216  434.442   3.9419 -0.000000 0.000000 
1 1 1    5   20    0 o  320.393   2.1380 29663.48  395.367 30624.44  558.549 28698.49  559.720  325.599   2.9708  315.188   3.0755 -0.000000 0.000000 
1 1 1    5   21    0 o  195.794   1.7456 11046.03  197.045 10471.48  270.272 11697.94  287.890  190.372   2.4591  201.216   2.4781 -0.000000 0.000000 
1 1 1    5   22    0 o  211.871   1.8220 12883.51  222.014 12019.71  298.325 13955.77  332.378  203.963   2.5334  219.780   2.6194 -0.000000 0.000000 
1 1 1    5   23    0 o  287.703   2.0756 23909.74  344.669 22989.96  484.209 24854.47  490.729  282.091   2.9728  293.314   2.8975 -0.000000 0.000000 
1 1 1    5   24    0 o  449.117   4.1270 58279.85  1070.29 58279.85  1070.29   0.0000   0.0000  449.117   4.1270  449.117   4.1270 -0.000000 0.000000 
1 1 1    5   25    0 o  193.439   2.3880 10811.77  266.691 10811.77  266.691   0.0000   0.0000  193.439   2.3880  193.439   2.3880 -0.000000 0.000000 
1 1 1    5   26    0 o  365.361   2.4645 38556.33  519.086 38812.05  757.168 38329.56  713.017  366.498   3.5779  364.224   3.3902 -0.000000 0.000000 
1 1 1    5   27    0 o  171.315   2.7054  8483.38  267.526   0.0000   0.0000  8483.38  267.526  171.315   2.7054  171.315   2.7054 -0.000000 0.000000 
1 1 1    5   28    0 o  199.822   2.6283 11539.32  303.204   0.0000   0.0000 11539.32  303.204  199.822   2.6283  199.822   2.6283 -0.000000 0.000000 
1 1 1    5   29    0 o   97.831   2.3251  2769.19  131.207   0.0000   0.0000  2769.19  131.207   97.831   2.3251   97.831   2.3251 -0.000000 0.000000 
1 1 1    5   30    0 o  322.994   2.2319 30138.47  416.306   0.0000   0.0000 30138.47  416.306  322.994   2.2319  322.994   2.2319 -0.000000 0.000000 
1 1 1    5   31    0 o  121.753   2.0960  4285.72  147.286   0.0000   0.0000  4285.72  147.286  121.753   2.0960  121.753   2.0960 -0.000000 0.000000 
1 1 1    5   32    0 o  318.661   2.2027 29338.09  405.345   0.0000   0.0000 29338.09  405.345  318.661   2.2027  318.661   2.2027 -0.000000 0.000000 
1 1 1    5   33    0 o   9.4502   6.5425 -101.5632  122.503   0.0000   0.0000 -101.5632  122.503   9.4502   6.5425   9.4502   6.5425 -0.000000 0.000000 
1 1 1    5   34    0 o   70.917   3.5448  1464.83  144.360   0.0000   0.0000  1464.83  144.360   70.917   3.5448   70.917   3.5448 -0.000000 0.000000 
1 1 1    5   35    0 o  373.948   2.4853 40410.63  536.709   0.0000   0.0000 40410.63  536.709  373.948   2.4853  373.948   2.4853 -0.000000 0.000000 
1 1 1    5   36    0 o   39.886   5.5315  486.459  120.423   0.0000   0.0000  486.459  120.423   39.886   5.5315   39.886   5.5315 -0.000000 0.000000 
1 1 1    5   37    0 o  140.648   2.0116  5718.41  163.327   0.0000   0.0000  5718.41  163.327  140.648   2.0116  140.648   2.0116 -0.000000 0.000000 
1 1 1    5   38    0 o   61.932   4.1092  1124.30  145.496   0.0000   0.0000  1124.30  145.496   61.932   4.1092   61.932   4.1092 -0.000000 0.000000 
1 1 1    5   39    0 o   35.978   9.5209  447.179  170.924   0.0000   0.0000  447.179  170.924   35.978   9.5209   35.978   9.5209 -0.000000 0.000000 
1 1 1    5   40    0 o  144.423   2.4812  6034.11  206.823   0.0000   0.0000  6034.11  206.823  144.423   2.4812  144.423   2.4812 -0.000000 0.000000 
1 1 1    5   41    0 o  186.747   2.1126 10082.59  227.789   0.0000   0.0000 10082.59  227.789  186.747   2.1126  186.747   2.1126 -0.000000 0.000000 
1 1 1    5   42    0 o  110.361   2.9124  3530.94  185.342   0.0000   0.0000  3530.94  185.342  110.361   2.9124  110.361   2.9124 -0.000000 0.000000 
1 1 1    5   43    0 o  138.463   2.5242  5551.52  201.707   0.0000   0.0000  5551.52  201.707  138.463   2.5242  138.463   2.5242 -0.000000 0.000000 
1 1 1    5   44    0 o  117.919   2.5410  4029.99  172.872   0.0000   0.0000  4029.99  172.872  117.919   2.5410  117.919   2.5410 -0.000000 0.000000 
1 1 1    5   45    0 o   93.784   3.0717  2558.70  165.969   0.0000   0.0000  2558.70  165.969   93.784   3.0717   93.784   3.0717 -0.000000 0.000000 
1 1 1    5   46    0 o   17.701   10.798   98.989  208.547   0.0000   0.0000   98.989  208.547   17.701   10.798   17.701   10.798 -0.000000 0.000000 
1 1 1    5   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    0   -1 o  414.616   2.4840 49651.56  594.771   0.0000   0.0000 49651.56  594.771  414.616   2.4840  414.616   2.4840 -0.000000 0.000000 
1 1 1    5    1   -1 o   83.345   0.9901  1995.62   45.736  1969.65   56.962  2042.75   76.729   82.586   1.1942   84.104   1.5796 -1.517319 1.980269 
1 1 1    5    2   -1 o  326.337   1.4895 30756.84  280.732 30873.51  397.268 30640.48  396.762  326.955   2.1038  325.719   2.1091 1.236389 2.979011 
1 1 1    5    3   -1 o   55.797   1.9301  952.922   48.257  815.085  107.798  987.468   53.967   53.119   3.5138   58.475   1.5980 -5.356129 3.860121 
1 1 1    5    4   -1 o  328.339   1.7113 31206.00  259.630 31252.24  290.391 31021.76  579.629  328.964   1.5284  327.715   3.0624 1.248962 3.422678 
1 1 1    5    5   -1 o  307.251   1.6108 27405.70  245.914 26989.48  494.747 27542.27  283.402  305.681   2.8024  308.820   1.5890 -3.138977 3.221519 
1 1 1    5    6   -1 o  404.175   1.5530 47167.18  341.732 47141.77  418.427 47218.06  592.199  404.021   1.7932  404.329   2.5360 -0.3074036 3.105936 
1 1 1    5    7   -1 o  141.059   0.9111  5748.75   72.377  5734.69  115.955  5757.73   92.639  140.917   1.4247  141.202   1.1360 -0.2843475 1.822179 
1 1 1    5    8   -1 o  286.712   1.3461 23740.02  222.893 23920.88  316.090 23561.14  314.353  287.798   1.9017  285.626   1.9056 2.172302 2.692161 
1 1 1    5    9   -1 f  268.592   1.1912 20829.72  181.090 20856.36  286.211 20811.94  233.851  268.733   1.8441  268.451   1.5083 0.2821655 2.382354 
1 1 1    5   10   -1 o  250.133   1.0141 18068.96  146.489 17973.05  207.538 18164.19  206.799  249.472   1.4404  250.795   1.4277 -1.323120 2.028105 
1 1 1    5   11   -1 o  422.832   1.5123 51633.48  369.305 51977.65  523.241 51291.85  521.317  424.236   2.1356  421.427   2.1419 2.808105 3.024598 
1 1 1    5   12   -1 o  509.618   1.5468 75006.12  455.258 75681.26  643.919 74331.34  643.746  511.911   2.1780  507.324   2.1971 4.586487 3.093647 
1 1 1    5   13   -1 o  132.827   1.0574  5096.38   80.841  5112.09  109.993  5077.93  119.215  133.049   1.4314  132.604   1.5567 0.4457550 2.114736 
1 1 1    5   14   -1 o  220.622   1.3194 14079.22  147.181 14103.46  170.977 14009.86  289.213  220.993   1.3396  220.252   2.2736 0.7408905 2.638889 
1 1 1    5   15   -1 o  1003.33   3.8101 290281.81  2169.71 293813.50  3409.04 287877.00  2813.01  1008.41   5.8534  998.257   4.8792 10.15497 7.620270 
1 1 1    5   16   -1 o  351.561   1.8626 35921.08  326.034 36144.21  376.224 35248.16  653.358  353.777   1.8413  349.345   3.2383 4.432281 3.725156 
1 1 1    5   17   -1 o  901.861   3.4451 234739.09  1759.85 233825.30  2274.25 236103.00  2778.37  899.708   4.3767  904.013   5.3215 -4.305359 6.890115 
1 1 1    5   18   -1 o  457.965   2.4035 60551.56  600.119 60651.81  1037.19 60501.11  735.790  458.235   3.9191  457.695   2.7835 0.5404358 4.806990 
1 1 1    5   19   -1 o  441.819   1.9645 56380.63  501.150 56232.68  716.474 56522.35  701.239  441.251   2.8114  442.387   2.7446 -1.136536 3.928997 
1 1 1    5   20   -1 o  434.992   2.3715 54441.60  565.939 53983.05  697.156 55327.75  969.140  432.331   2.7921  437.652   3.8342 -5.320709 4.743064 
1 1 1    5   21   -1 o   50.871   2.4148  744.458   70.759  824.561  103.522  674.221   96.937   53.429   3.3548   48.313   3.4741 5.116112 4.829523 
1 1 1    5   22   -1 o  241.715   1.9438 16868.00  271.287 16577.80  378.320 17175.17  389.229  239.576   2.7342  243.854   2.7637 -4.277771 3.887660 
1 1 1    5   23   -1 o  346.296   2.2148 34643.77  442.920 34143.95  627.505 35140.03  625.267  343.806   3.1602  348.786   3.1040 -4.980713 4.429657 
1 1 1    5   24   -1 o  329.373   3.1936 31339.43  607.513   0.0000   0.0000 31339.43  607.513  ?   ?   329.373   3.1936      ?      ? 
1 1 1    5   25   -1 o  260.239   1.9580 19545.51  293.915 20970.11  422.176 18205.59  409.435  269.434   2.7130  251.044   2.8239 18.39072 3.915993 
1 1 1    5   26   -1 f  132.879   1.7896  5118.13  125.789  5056.56  229.221  5144.66  150.470  132.296   3.0000  133.462   1.9521 -1.165710 3.579218 
1 1 1    5   27   -1 o  105.954   2.3534  3242.98  144.013   0.0000   0.0000  3242.98  144.013  ?   ?   105.954   2.3534      ?      ? 
1 1 1    5   28   -1 o  227.689   1.8835 14974.62  247.679   0.0000   0.0000 14974.62  247.679  ?   ?   227.689   1.8835      ?      ? 
1 1 1    5   29   -1 o  214.577   1.5608 13369.52  181.867 13102.08  315.077 13503.15  222.714  212.943   2.5619  216.211   1.7836 -3.267899 3.121632 
1 1 1    5   30   -1 f  161.720   1.8758  7564.90  175.030  7352.58  250.837  7766.39  244.351  159.503   2.7229  163.937   2.5808 -4.433716 3.751651 
1 1 1    5   31   -1 o  284.039   2.1010 23310.69  344.659   0.0000   0.0000 23310.69  344.659  ?   ?   284.039   2.1010      ?      ? 
1 1 1    5   32   -1 o  120.449   2.1214  4192.33  147.573   0.0000   0.0000  4192.33  147.573  ?   ?   120.449   2.1214      ?      ? 
1 1 1    5   33   -1 o  265.294   2.0354 20338.34  311.856 20338.34  311.856   0.0000   0.0000  265.294   2.0354  ?   ?       ?      ? 
1 1 1    5   34   -1 f   81.616   3.0106  1928.01  141.816  1835.42  197.302  2026.97  203.981   79.589   4.2923   83.643   4.2225 -4.054642 6.021123 
1 1 1    5   35   -1 o  202.443   1.7692 11872.12  206.329 12243.89  284.686 11460.75  299.459  205.798   2.3952  199.087   2.6044 6.710510 3.538346 
1 1 1    5   36   -1 o   65.510   3.5764  1242.46  135.312   0.0000   0.0000  1242.46  135.312  ?   ?    65.510   3.5764      ?      ? 
1 1 1    5   37   -1 o  195.541   2.1043 11051.87  237.650   0.0000   0.0000 11051.87  237.650  ?   ?   195.541   2.1043      ?      ? 
1 1 1    5   38   -1 f   28.313   6.3752  229.861  119.050  282.682  166.943  175.206  169.817   30.684   8.9000   25.942   9.1303 4.742115 12.75038 
1 1 1    5   39   -1 o   88.303   3.0867  2225.45  122.102  2203.95  134.923  2322.69  286.993   87.281   2.6766   89.325   5.5630 -2.044334 6.173455 
1 1 1    5   40   -1 o  117.901   2.5922  3999.79  174.870  3819.75  229.927  4246.81  269.326  114.803   3.4678  120.999   3.8540 -6.196144 5.184466 
1 1 1    5   41   -1 o  126.412   2.4815  4588.63  171.975  4490.90  211.096  4781.50  296.555  124.514   2.9354  128.310   4.0018 -3.795944 4.963010 
1 1 1    5   42   -1 o  100.807   3.1272  2966.03  181.583  2735.19  257.941  3192.83  255.668   96.873   4.6103  104.741   4.2264 -7.868050 6.254420 
1 1 1    5   43   -1 o  112.017   2.8492  3639.68  184.330  3639.68  184.330   0.0000   0.0000  112.017   2.8492  ?   ?       ?      ? 
1 1 1    5   44   -1 o  118.154   2.6884  4051.77  183.453  4051.77  183.453   0.0000   0.0000  118.154   2.6884  ?   ?       ?      ? 
1 1 1    5   45   -1 o   27.360   8.6504  230.597  153.054  230.597  153.054   0.0000   0.0000   27.360   8.6504  ?   ?       ?      ? 
1 1 1    5   46   -1 o  125.134   2.5562  4556.11  184.740  4556.11  184.740   0.0000   0.0000  125.134   2.5562  ?   ?       ?      ? 
1 1 1    5   47   -1 o   82.046   3.5827  1980.68  169.766  1980.68  169.766   0.0000   0.0000   82.046   3.5827  ?   ?       ?      ? 
1 1 1    5   48   -1 o   68.415   4.1836  1393.60  165.305  1393.60  165.305   0.0000   0.0000   68.415   4.1836  ?   ?       ?      ? 
1 1 1    5   49   -1 o   79.920   3.7079  1895.59  171.148  1895.59  171.148   0.0000   0.0000   79.920   3.7079  ?   ?       ?      ? 
1 1 1    5   50   -1 o   47.420   9.9750  809.769  264.527   0.0000   0.0000  809.769  264.527  ?   ?    47.420   9.9750      ?      ? 
1 1 1    5   51   -1 o   66.019   4.2244  1316.42  161.072   0.0000   0.0000  1316.42  161.072  ?   ?    66.019   4.2244      ?      ? 
1 1 1    5   52   -1 o   43.496   7.0223  628.287  176.406   0.0000   0.0000  628.287  176.406  ?   ?    43.496   7.0223      ?      ? 
1 1 1    5    0   -2 o  665.711   3.4063 128514.30  1232.83 129464.00  1510.65 126620.30  2133.23  669.464   3.9074  661.959   5.5807 -0.000000 0.000000 
1 1 1    5    1   -2 o  635.736   2.2055 116742.20  809.763 115757.00  1143.61 117732.90  1146.76  633.045   3.1279  638.427   3.1101 -5.380920 4.410972 
1 1 1    5    2   -2 o  266.273   1.2018 20492.30  180.835 20555.28  233.016 20396.92  286.742  266.790   1.5123  265.756   1.8682 1.034332 2.403568 
1 1 1    5    3   -2 o  307.391   1.2881 27264.18  224.255 27165.07  289.753 27412.24  354.137  306.698   1.6358  308.084   1.9903 -1.386353 2.576261 
1 1 1    5    4   -2 o   99.995   0.9556  2895.63   54.301  2841.67   84.323  2933.86   70.977   99.196   1.4719  100.794   1.2193 -1.597359 1.911281 
1 1 1    5    5   -2 o  162.491   1.2257  7624.85  115.023  7624.85  115.023   0.0000   0.0000  162.491   1.2257  ?   ?       ?      ? 
1 1 1    5    6   -2 o  247.600   1.5490 17726.98  207.874 17766.87  253.585 17645.26  362.950  248.032   1.7702  247.169   2.5425 0.8626709 3.098100 
1 1 1    5    7   -2 o  164.551   1.1354  7777.81   84.437  7887.02  195.063  7752.63   93.667  165.254   2.0438  163.848   0.9898 1.406311 2.270873 
1 1 1    5    8   -2 o  305.469   1.3182 26994.36  227.920 26715.27  359.154 27182.53  294.913  304.142   2.0446  306.796   1.6644 -2.654449 2.636440 
1 1 1    5    9   -2 o  283.562   1.1087 23221.42  181.563 22979.67  256.694 23463.45  256.843  282.085   1.5756  285.039   1.5602 -2.954041 2.217383 
1 1 1    5   10   -2 o  176.682   1.0757  9011.31  109.678  8927.99  151.740  9102.46  158.712  175.827   1.4943  177.537   1.5479 -1.709351 2.151449 
1 1 1    5   11   -2 f  154.323   0.9546  6868.68   82.634  6914.71  134.113  6840.51  104.915  154.738   1.5007  153.907   1.1803 0.8309479 1.909230 
1 1 1    5   12   -2 o  619.843   2.1670 110970.50  775.748 110466.60  1097.31 111473.80  1096.84  618.437   3.0722  621.250   3.0570 -2.813599 4.333984 
1 1 1    5   13   -2 o  770.599   2.7668 171347.80  1162.32 172075.30  2010.57 170982.70  1424.47  771.791   4.5106  769.408   3.2056 2.382202 5.533665 
1 1 1    5   14   -2 o  121.383   1.3529  4337.48   77.229  4399.04   87.193  4113.36  166.362  123.423   1.2232  119.344   2.4136 4.079346 2.705888 
1 1 1    5   15   -2 o  331.641   1.2525 31762.30  239.907 31775.09  339.844 31749.60  338.719  331.707   1.7739  331.574   1.7688 0.1330261 2.505087 
1 1 1    5   16   -2 o  203.062   1.0723 11951.53  122.968 12122.67  158.725 11694.59  194.480  204.887   1.3414  201.236   1.6733 3.651596 2.144597 
1 1 1    5   17   -2 o  455.362   1.6421 59883.43  431.862 60029.92  610.997 59737.18  610.492  455.919   2.3204  454.806   2.3242 1.113098 3.284225 
1 1 1    5   18   -2 o  642.323   2.2538 119161.90  836.075 119114.70  1184.14 119208.80  1180.65  642.196   3.1926  642.450   3.1820 -0.2542725 4.507529 
1 1 1    5   19   -2 o  321.457   1.5592 29849.29  289.403 29354.27  411.139 30335.45  407.442  318.814   2.2329  324.100   2.1767 -5.285217 3.118309 
1 1 1    5   20   -2 o  154.044   1.0768  6830.43   92.878  6943.26  151.792  6762.91  117.425  155.057   1.6950  153.032   1.3286 2.025253 2.153660 
1 1 1    5   21   -2 o  174.573   1.5334  8841.80  143.472  8692.90  255.064  8910.71  173.526  173.489   2.5456  175.656   1.7105 -2.167404 3.066893 
1 1 1    5   22   -2 o  299.438   1.4778 25896.49  255.552 26088.59  360.563 25702.58  362.255  300.554   2.0772  298.322   2.1025 2.232239 2.955556 
1 1 1    5   23   -2 o  373.186   2.0118 40221.64  433.603   0.0000   0.0000 40221.64  433.603  ?   ?   373.186   2.0118      ?      ? 
1 1 1    5   24   -2 o  162.266   1.8577  7604.45  174.097   0.0000   0.0000  7604.45  174.097  ?   ?   162.266   1.8577      ?      ? 
1 1 1    5   25   -2 o  136.874   1.9705  5448.60  154.686  4967.65  225.644  5875.03  212.469  131.133   2.9794  142.614   2.5796 -11.48128 3.940926 
1 1 1    5   26   -2 f  363.649   2.2989 38198.11  482.817   0.0000   0.0000 38198.11  482.817  ?   ?   363.649   2.2989      ?      ? 
1 1 1    5   27   -2 o  596.757   3.1246 102656.40  1022.39 103949.60  1751.03 101987.60  1259.35  599.484   5.0574  594.030   3.6707 5.454041 6.249160 
1 1 1    5   28   -2 o  291.308   1.7659 24428.37  282.592 24803.59  482.460 24232.41  348.662  292.984   2.8512  289.633   2.0844 3.350861 3.531858 
1 1 1    5   29   -2 o  116.482   1.7344  3930.59  108.290  3892.54  192.812  3948.12  130.882  116.058   2.8766  116.907   1.9384 -0.8498764 3.468756 
1 1 1    5   30   -2 o  140.044   1.4927  5615.21  105.210  5770.46  209.846  5563.08  121.597  141.309   2.5713  138.779   1.5171 2.529678 2.985457 
1 1 1    5   31   -2 o  175.205   1.6782  8870.43  169.769  8887.79  243.180  8853.92  237.115  175.371   2.4010  175.039   2.3455 0.3315430 3.356493 
1 1 1    5   32   -2 o  196.676   1.7691 11185.29  200.867 10876.39  285.264 11489.07  282.889  193.978   2.5463  199.373   2.4568 -5.395386 3.538264 
1 1 1    5   33   -2 o  258.274   1.6643 19200.45  238.176 19564.80  399.301 18999.22  296.746  260.135   2.6578  256.414   2.0038 3.720947 3.328515 
1 1 1    5   34   -2 f  173.880   1.8580  8736.38  186.585   0.0000   0.0000  8736.38  186.585  ?   ?   173.880   1.8580      ?      ? 
1 1 1    5   35   -2 o  121.270   2.4796  4242.13  170.349  4182.30  219.695  4332.34  269.759  120.229   3.1639  122.312   3.8188 -2.083305 4.959167 
1 1 1    5   36   -2 o  110.998   2.3308  3450.88  127.221  3352.17  144.759  3785.85  266.654  107.684   2.3276  114.313   4.0389 -6.629662 4.661625 
1 1 1    5   37   -2 o  213.365   2.0459 13157.97  252.115   0.0000   0.0000 13157.97  252.115  ?   ?   213.365   2.0459      ?      ? 
1 1 1    5   38   -2 o  118.608   2.7872  4069.75  190.925   0.0000   0.0000  4069.75  190.925  ?   ?   118.608   2.7872      ?      ? 
1 1 1    5   39   -2 o  191.751   2.0689 10611.30  228.023 10347.74  306.158 10939.62  341.709  189.102   2.8033  194.400   3.0435 -5.297226 4.137786 
1 1 1    5   40   -2 o  109.004   2.2145  3436.25  139.411  3436.25  139.411   0.0000   0.0000  109.004   2.2145  ?   ?       ?      ? 
1 1 1    5   41   -2 o  107.314   2.2769  3331.87  141.120  3331.87  141.120   0.0000   0.0000  107.314   2.2769  ?   ?       ?      ? 
1 1 1    5   42   -2 o  154.742   1.8941  6925.64  169.277  6925.64  169.277   0.0000   0.0000  154.742   1.8941  ?   ?       ?      ? 
1 1 1    5   43   -2 o   65.588   3.2580  1249.61  123.416  1249.61  123.416   0.0000   0.0000   65.588   3.2580  ?   ?       ?      ? 
1 1 1    5   44   -2 o   90.369   3.6552  2380.66  190.774  2380.66  190.774   0.0000   0.0000   90.369   3.6552  ?   ?       ?      ? 
1 1 1    5   45   -2 o   87.465   3.2369  2230.26  163.510  2230.26  163.510   0.0000   0.0000   87.465   3.2369  ?   ?       ?      ? 
1 1 1    5   46   -2 o   38.882   9.6355  501.297  215.278  501.297  215.278   0.0000   0.0000   38.882   9.6355  ?   ?       ?      ? 
1 1 1    5   47   -2 o   18.290   5.6361  -2.8429  112.148   24.229  160.025 -28.9715  157.214   19.095   8.1665   17.485   7.7699 1.609533 11.27221 
1 1 1    5   48   -2 o   69.480   3.9409  1471.62  158.118  1481.11  222.231  1461.89  225.020   69.744   5.5171   69.217   5.6289 0.5273285 7.881851 
1 1 1    5   49   -2 o   61.174   4.7074  1129.21  166.318   0.0000   0.0000  1129.21  166.318  ?   ?    61.174   4.7074      ?      ? 
1 1 1    5   50   -2 o   72.918   3.8395  1640.63  161.256  1695.42  222.803  1580.35  233.688   74.400   5.1852   71.437   5.6641 2.962692 7.679064 
1 1 1    5   51   -2 o   21.385   8.8853  101.137  180.823   0.0000   0.0000  101.137  180.823  ?   ?    21.385   8.8853      ?      ? 
1 1 1    5   52   -2 o   61.836   5.1759  1194.96  184.847   0.0000   0.0000  1194.96  184.847  ?   ?    61.836   5.1759      ?      ? 
1 1 1    5    0   -3 o  298.765   1.6980 25898.65  274.571 25449.98  478.961 26118.27  335.100  296.814   2.7946  300.716   1.9296 -0.000000 0.000000 
1 1 1    5    1   -3 o  226.669   1.1416 14837.51  149.445 14770.24  210.590 14905.75  212.111  226.152   1.6123  227.187   1.6166 -1.035034 2.283178 
1 1 1    5    2   -3 o  533.077   1.9638 81953.81  570.474 81702.18  698.694 82457.05  988.068  531.871   2.2745  534.283   3.2021 -2.411682 3.927698 
1 1 1    5    3   -3 o  121.013   1.2818  4206.58   83.851  4165.54  101.741  4293.48  148.057  120.100   1.4668  121.927   2.1025 -1.826317 2.563612 
1 1 1    5    4   -3 o  278.127   1.1025 22340.31  177.086 22434.53  249.562 22244.74  251.322  278.718   1.5503  277.536   1.5679 1.181671 2.204981 
1 1 1    5    5   -3 o  345.790   1.2801 34532.32  255.646 34617.20  361.043 34446.98  362.035  346.216   1.8056  345.363   1.8151 0.8524475 2.560211 
1 1 1    5    6   -3 o  293.725   1.2928 24906.66  214.962 24963.93  339.660 24868.39  277.638  294.004   2.0004  293.446   1.6382 0.5574341 2.585551 
1 1 1    5    7   -3 o  167.465   1.2155  8108.44  110.890  8071.42  191.659  8127.07  135.958  167.176   1.9850  167.756   1.4033 -0.5801086 2.430960 
1 1 1    5    8   -3 o  222.982   1.0631 14375.41  134.285 14273.87  211.243 14444.28  173.957  222.319   1.6452  223.645   1.3468 -1.325912 2.126152 
1 1 1    5    9   -3 o  282.602   1.0999 23064.35  179.494 23035.78  255.607 23092.14  252.114  282.429   1.5670  282.775   1.5437 -0.3455505 2.199703 
1 1 1    5   10   -3 o  372.989   1.8214 40037.69  314.541 40419.94  703.037 39942.04  351.705  374.080   3.2541  371.897   1.6375 2.182281 3.642846 
1 1 1    5   11   -3 o  109.301   0.8430  3449.90   53.210  3442.95   74.653  3457.08   75.864  109.189   1.1838  109.413   1.2005 -0.2237244 1.686032 
1 1 1    5   12   -3 o  429.449   1.6234 53343.73  380.522 53511.10  467.549 53015.38  654.884  430.456   1.8807  428.443   2.6466 2.013458 3.246745 
1 1 1    5   13   -3 o  137.771   0.7980  5479.56   62.727  5470.44   82.501  5492.06   96.570  137.635   1.0379  137.906   1.2125 -0.2713165 1.596024 
1 1 1    5   14   -3 o  522.226   2.2883 78762.18  690.142 79352.80  981.583 78184.79  970.527  524.162   3.2425  520.291   3.2298 3.871582 4.576599 
1 1 1    5   15   -3 o  398.874   1.8132 45945.99  417.674 45674.54  587.553 46223.29  593.858  397.683   2.5581  400.064   2.5702 -2.381592 3.626301 
1 1 1    5   16   -3 o  443.674   2.0184 56847.92  517.161 57085.16  736.755 56617.46  726.112  444.586   2.8693  442.762   2.8395 1.824402 4.036847 
1 1 1    5   17   -3 o   81.213   1.8206  1918.60   75.153  1875.79  145.819  1934.09   87.697   80.590   3.1329   81.837   1.8555 -1.246986 3.641134 
1 1 1    5   18   -3 f  567.593   2.2212 92975.02  715.435 93434.51  1122.69 92660.83  928.342  568.764   3.4178  566.422   2.8378 2.342041 4.442333 
1 1 1    5   19   -3 o  475.275   2.5690 65052.40  669.570 65860.59  1146.47 64634.04  824.864  477.490   4.1573  473.059   3.0191 4.430542 5.137937 
1 1 1    5   20   -3 o  759.750   3.7044 166861.41  1418.21 166619.41  2803.31 166944.70  1644.13  759.271   6.3928  760.229   3.7446 -0.9571533 7.408751 
1 1 1    5   21   -3 o  421.182   2.5504 51243.01  620.379 51424.40  876.483 51060.90  878.216  421.929   3.5968  420.435   3.6167 1.494629 5.100777 
1 1 1    5   22   -3 o  238.444   1.6593 16408.99  216.033 16456.81  372.375 16384.74  265.230  238.699   2.7011  238.188   1.9280 0.5115509 3.318645 
1 1 1    5   23   -3 o  444.221   2.9244 56999.88  750.277   0.0000   0.0000 56999.88  750.277  ?   ?   444.221   2.9244      ?      ? 
1 1 1    5   24   -3 o  311.235   2.0797 27977.25  373.836   0.0000   0.0000 27977.25  373.836  ?   ?   311.235   2.0797      ?      ? 
1 1 1    5   25   -3 o  271.702   1.9967 21335.10  313.175 20823.42  445.796 21833.67  440.052  268.483   2.8750  274.922   2.7715 -6.439301 3.993311 
1 1 1    5   26   -3 f  347.200   2.2593 34820.58  453.033   0.0000   0.0000 34820.58  453.033  ?   ?   347.200   2.2593      ?      ? 
1 1 1    5   27   -3 o  260.523   1.9449 19603.65  292.205 19506.00  401.977 19713.06  425.505  259.839   2.6786  261.207   2.8206 -1.368835 3.889805 
1 1 1    5   28   -3 o  244.242   2.0548 17232.17  289.847   0.0000   0.0000 17232.17  289.847  ?   ?   244.242   2.0548      ?      ? 
1 1 1    5   29   -3 o  204.261   1.6291 12054.39  192.184 12065.20  271.000 12043.44  272.586  204.353   2.2962  204.168   2.3117 0.1850586 3.258264 
1 1 1    5   30   -3 o  226.079   1.7327 14765.66  226.167 14623.63  315.188 14916.40  324.723  224.961   2.4259  227.198   2.4747 -2.237671 3.465436 
1 1 1    5   31   -3 o  226.628   1.8261 14853.36  238.696 15028.80  330.245 14661.44  345.399  228.036   2.5075  225.221   2.6554 2.815643 3.652230 
1 1 1    5   32   -3 o   10.576   5.2070 -239.3715  112.337   0.0000   0.0000 -239.3715  112.337  ?   ?    10.576   5.2070      ?      ? 
1 1 1    5   33   -3 o  276.570   2.1078 22105.41  336.689   0.0000   0.0000 22105.41  336.689  ?   ?   276.570   2.1078      ?      ? 
1 1 1    5   34   -3 o  233.605   2.0606 15771.24  278.007   0.0000   0.0000 15771.24  278.007  ?   ?   233.605   2.0606      ?      ? 
1 1 1    5   35   -3 o   81.735   2.6511  1935.75  125.013  1966.34  173.677  1902.86  180.089   82.412   3.6490   81.059   3.8468 1.352882 5.302164 
1 1 1    5   36   -3 o  158.677   2.3241  7278.72  212.989   0.0000   0.0000  7278.72  212.989  ?   ?   158.677   2.3241      ?      ? 
1 1 1    5   37   -3 o   94.638   3.2304  2740.82  163.191  3045.37  203.047  2185.18  274.259  102.564   3.4278   86.711   5.4765 15.85300 6.460756 
1 1 1    5   38   -3 o  100.228   3.2555  2908.14  188.448  2908.14  188.448   0.0000   0.0000  100.228   3.2555  ?   ?       ?      ? 
1 1 1    5   39   -3 o  129.039   2.7867  4818.36  207.681  4818.36  207.681   0.0000   0.0000  129.039   2.7867  ?   ?       ?      ? 
1 1 1    5   40   -3 o   60.468   3.6659  1060.26  128.025  1060.26  128.025   0.0000   0.0000   60.468   3.6659  ?   ?       ?      ? 
1 1 1    5   41   -3 o  139.312   2.9189  5622.09  234.850  5622.09  234.850   0.0000   0.0000  139.312   2.9189  ?   ?       ?      ? 
1 1 1    5   42   -3 o   68.808   2.9614  1372.63  117.685  1372.63  117.685   0.0000   0.0000   68.808   2.9614  ?   ?       ?      ? 
1 1 1    5   43   -3 o   97.244   2.8427  2677.36  153.346  2491.20  189.120  3034.68  262.008   92.551   3.5381  101.938   4.4504 -9.387207 5.685420 
1 1 1    5   44   -3 o   61.973   3.7946  1105.74  134.214  1342.03  209.188  940.413  174.977   67.468   5.3685   56.478   5.3643 10.98957 7.589245 
1 1 1    5   45   -3 o   83.998   3.3396  2066.47  160.408  1988.47  210.813  2173.73  247.211   82.228   4.4391   85.769   4.9906 -3.540779 6.679183 
1 1 1    5   46   -3 o   71.792   3.8202  1514.58  158.396   0.0000   0.0000  1514.58  158.396  ?   ?    71.792   3.8202      ?      ? 
1 1 1    5   47   -3 o   78.042   3.3529  1754.31  135.672  1969.33  262.402  1675.85  158.502   80.660   5.6328   75.425   3.6386 5.234764 6.705829 
1 1 1    5   48   -3 o   69.763   4.4295  1505.36  177.966  1505.78  243.050  1504.87  261.304   69.953   6.0159   69.572   6.5032 0.3811340 8.859056 
1 1 1    5   49   -3 o  114.891   2.8849  3876.61  191.423   0.0000   0.0000  3876.61  191.423  ?   ?   114.891   2.8849      ?      ? 
1 1 1    5   50   -3 o   11.424   5.7437 -463.0445  169.520   0.0000   0.0000 -463.0445  169.520  ?   ?    11.424   5.7437      ?      ? 
1 1 1    5   51   -3 o   12.840   6.3472 -326.6687  172.715   0.0000   0.0000 -326.6687  172.715  ?   ?    12.840   6.3472      ?      ? 
1 1 1    5   52   -3 o   59.794   4.7922  1148.11  134.910  1125.53  152.310  1230.33  290.664   60.671   4.3468   58.917   8.5421 1.753391 9.584447 
1 1 1    5    0   -4 o  217.335   1.6368 13646.51  205.291 13620.04  294.960 13671.39  285.903  217.129   2.3527  217.541   2.2761 -0.000000 0.000000 
1 1 1    5    1   -4 o  347.411   2.1373 34863.16  428.834 34928.21  604.385 34797.21  608.561  347.738   3.0094  347.084   3.0359 0.6535339 4.274678 
1 1 1    5    2   -4 o  145.163   1.1914  6085.39   99.887  6085.39   99.887   0.0000   0.0000  145.163   1.1914  ?   ?       ?      ? 
1 1 1    5    3   -4 o  151.371   1.2507  6586.12  102.365  6705.77  180.571  6529.46  124.261  152.377   2.0518  150.365   1.4309 2.011734 2.501490 
1 1 1    5    4   -4 o  156.709   1.2276  7069.62  105.134  7022.92  129.031  7161.86  181.343  155.944   1.4327  157.474   1.9939 -1.530579 2.455233 
1 1 1    5    5   -4 o  243.955   1.4643 17156.29  178.598 17124.60  206.095 17251.84  357.886  243.511   1.4654  244.399   2.5355 -0.8874969 2.928507 
1 1 1    5    6   -4 o  100.606   1.2274  2928.60   61.034  2933.78   70.105  2912.40  124.058  100.792   1.2043  100.420   2.1390 0.3725052 2.454768 
1 1 1    5    7   -4 o  167.443   1.0362  8094.71  100.185  8199.61  143.445  7994.81  139.985  168.502   1.4740  166.385   1.4567 2.117584 2.072378 
1 1 1    5    8   -4 o  181.236   1.1083  9486.28  115.991  9512.05  162.658  9459.61  165.449  181.487   1.5518  180.986   1.5828 0.5012360 2.216645 
1 1 1    5    9   -4 o  211.153   1.1177 12879.17  136.260 12577.29  193.187 13178.03  192.219  208.690   1.6028  213.616   1.5580 -4.926178 2.235301 
1 1 1    5   10   -4 o  272.140   1.0831 21387.89  170.229 21469.33  240.606 21306.27  240.873  272.659   1.5279  271.621   1.5355 1.037506 2.166146 
1 1 1    5   11   -4 o  214.068   0.8646 13243.37  105.775 13163.77  161.458 13303.22  140.004  213.503   1.3094  214.632   1.1294 -1.128937 1.729195 
1 1 1    5   12   -4 o  253.569   0.9644 18589.97  139.825 18727.70  185.505 18408.76  212.775  254.658   1.2613  252.479   1.4592 2.179092 1.928738 
1 1 1    5   13   -4 o  841.393   2.9056 204508.00  1411.76 205440.09  1982.71 203549.41  2010.65  843.340   4.0707  839.446   4.1472 3.894287 5.811224 
1 1 1    5   14   -4 o  375.484   1.5630 40797.69  331.956 40312.17  523.903 41123.36  429.081  373.611   2.4280  377.358   1.9688 -3.746521 3.125903 
1 1 1    5   15   -4 o  426.426   1.7422 52451.92  421.880 52860.34  661.016 52171.22  548.006  427.822   2.6752  425.031   2.2324 2.790497 3.484354 
1 1 1    5   16   -4 o  348.044   1.3887 35010.79  263.771 34896.09  454.399 35069.07  323.934  347.611   2.2634  348.478   1.6095 -0.8675537 2.777314 
1 1 1    5   17   -4 o  290.834   1.2803 24392.15  210.730 24599.95  333.802 24254.46  271.721  291.861   1.9803  289.807   1.6234 2.053680 2.560666 
1 1 1    5   18   -4 f  277.261   1.6506 22199.97  264.308   0.0000   0.0000 22199.97  264.308  ?   ?   277.261   1.6506      ?      ? 
1 1 1    5   19   -4 o  177.702   1.7072  9112.70  175.027  9267.85  254.295  8973.04  241.269  179.137   2.4579  176.266   2.3700 2.871460 3.414418 
1 1 1    5   20   -4 o  677.448   3.3825 132558.50  1160.35 132669.50  2277.90 132519.50  1348.41  677.558   5.8211  677.338   3.4469 0.2195435 6.765066 
1 1 1    5   21   -4 o  524.387   2.7669 79243.16  796.416 80060.02  1360.31 78817.13  982.384  526.407   4.4744  522.367   3.2563 4.040833 5.533820 
1 1 1    5   22   -4 f  308.480   2.0189 27486.75  359.672 27399.95  510.941 27572.01  506.395  307.997   2.8724  308.963   2.8379 -0.9663696 4.037847 
1 1 1    5   23   -4 o  319.225   2.1015 29453.09  387.185 30055.07  541.455 28823.17  553.881  322.567   2.9064  315.883   3.0360 6.683960 4.202935 
1 1 1    5   24   -4 o   67.579   2.8640  1324.96  103.736  1305.46  184.499  1333.97  125.442   67.206   4.7533   67.953   3.1963 -0.7466431 5.728075 
1 1 1    5   25   -4 o  319.680   2.2143 29518.13  408.830 29518.13  408.830   0.0000   0.0000  319.680   2.2143  ?   ?       ?      ? 
1 1 1    5   26   -4 o  341.056   2.2639 33599.51  445.929 33599.51  445.929   0.0000   0.0000  341.056   2.2639  ?   ?       ?      ? 
1 1 1    5   27   -4 o  479.464   2.8161 66449.18  779.565 66166.52  1087.53 66747.94  1118.05  478.421   3.9359  480.506   4.0288 -2.085175 5.632287 
1 1 1    5   28   -4 o  151.870   1.6162  6661.85  141.760   0.0000   0.0000  6661.85  141.760  ?   ?   151.870   1.6162      ?      ? 
1 1 1    5   29   -4 o  182.743   1.8041  9664.45  189.897  9878.24  260.931  9423.71  276.888  184.899   2.4435  180.586   2.6548 4.313507 3.608129 
1 1 1    5   30   -4 o  296.004   2.0324 25313.92  347.452   0.0000   0.0000 25313.92  347.452  ?   ?   296.004   2.0324      ?      ? 
1 1 1    5   31   -4 o  344.006   1.9417 34190.82  385.768   0.0000   0.0000 34190.82  385.768  ?   ?   344.006   1.9417      ?      ? 
1 1 1    5   32   -4 o  143.757   1.3752  5969.60  114.181   0.0000   0.0000  5969.60  114.181  ?   ?   143.757   1.3752      ?      ? 
1 1 1    5   33   -4 o  271.875   2.1589 21362.29  338.994   0.0000   0.0000 21362.29  338.994  ?   ?   271.875   2.1589      ?      ? 
1 1 1    5   34   -4 o  110.784   2.3640  3577.08  144.909  3643.12  181.563  3461.19  240.511  112.237   2.8009  109.330   3.8090 2.907097 4.727972 
1 1 1    5   35   -4 o  173.382   2.5928  8692.30  259.636  8692.30  259.636   0.0000   0.0000  173.382   2.5928  ?   ?       ?      ? 
1 1 1    5   36   -4 o  103.829   3.3981  3120.39  203.770  3120.39  203.770   0.0000   0.0000  103.829   3.3981  ?   ?       ?      ? 
1 1 1    5   37   -4 o  232.365   2.5859 15614.38  347.023 15614.38  347.023   0.0000   0.0000  232.365   2.5859  ?   ?       ?      ? 
1 1 1    5   38   -4 o  119.180   2.0183  4156.21  137.297  3545.14  198.595  4715.67  190.024  110.672   3.1070  127.688   2.5768 -17.01585 4.036506 
1 1 1    5   39   -4 o  120.343   2.8725  4191.52  199.648  4191.52  199.648   0.0000   0.0000  120.343   2.8725  ?   ?       ?      ? 
1 1 1    5   40   -4 o  130.531   2.3659  4841.38  168.623  4653.65  205.305  5230.53  295.592  126.788   2.8037  134.275   3.8116 -7.487152 4.731761 
1 1 1    5   41   -4 o   65.499   5.0349  1250.80  190.462   0.0000   0.0000  1250.80  190.462  ?   ?    65.499   5.0349      ?      ? 
1 1 1    5   42   -4 o  110.512   3.0885  3542.46  197.124   0.0000   0.0000  3542.46  197.124  ?   ?   110.512   3.0885      ?      ? 
1 1 1    5   43   -4 o   87.783   3.6319  2242.59  184.133   0.0000   0.0000  2242.59  184.133  ?   ?    87.783   3.6319      ?      ? 
1 1 1    5   44   -4 o   63.888   4.7441  1198.65  175.051   0.0000   0.0000  1198.65  175.051  ?   ?    63.888   4.7441      ?      ? 
1 1 1    5   45   -4 o   32.439   6.7120  347.326  146.309  488.072  189.534  139.785  230.156   39.062   8.6313   25.816   10.281 13.24544 13.42397 
1 1 1    5   46   -4 o   48.716   5.6288  712.419  158.370   0.0000   0.0000  712.419  158.370  ?   ?    48.716   5.6288      ?      ? 
1 1 1    5   47   -4 o  105.901   2.8587  3279.88  174.849   0.0000   0.0000  3279.88  174.849  ?   ?   105.901   2.8587      ?      ? 
1 1 1    5   48   -4 o   80.924   2.9767  1934.89  133.512  2017.77  224.367  1889.46  166.125   81.908   4.7429   79.940   3.5982 1.968102 5.953344 
1 1 1    5   49   -4 o   44.423   6.6384  621.743  170.317   0.0000   0.0000  621.743  170.317  ?   ?    44.423   6.6384      ?      ? 
1 1 1    5   50   -4 o   72.676   3.6231  1608.85  142.965  1644.31  248.766  1591.36  174.695   72.558   5.9363   72.794   4.1553 -0.2359238 7.246123 
1 1 1    5   51   -4 o   30.638   8.8277  339.617  164.730   0.0000   0.0000  339.617  164.730  ?   ?    30.638   8.8277      ?      ? 
1 1 1    5    0   -5 o  389.644   2.6382 43856.63  593.308 43650.78  825.841 44076.22  852.945  388.701   3.6794  390.586   3.7819 -0.000000 0.000000 
1 1 1    5    1   -5 o  238.391   1.1722 16411.53  161.390 16216.11  227.466 16609.62  229.023  236.962   1.6621  239.819   1.6535 -2.857956 2.344493 
1 1 1    5    2   -5 o  197.020   1.1158 11208.18  126.945 11313.27  181.388 11107.29  177.722  197.925   1.5868  196.115   1.5691 1.809921 2.231585 
1 1 1    5    3   -5 o  215.035   1.0362 13346.86  126.002 13387.36  199.795 13320.11  162.360  215.305   1.6067  214.766   1.3090 0.5387115 2.072443 
1 1 1    5    4   -5 o  237.433   1.2319 16280.82  168.922 16283.01  239.625 16278.66  238.166  237.449   1.7473  237.417   1.7369 0.3155518E-01 2.463760 
1 1 1    5    5   -5 o   92.371   1.0720  2457.95   54.589  2443.68   67.661  2484.57   92.395   91.989   1.2736   92.753   1.7248 -0.7646332 2.144019 
1 1 1    5    6   -5 o  380.482   2.0190 41679.77  418.668 42219.25  726.124 41411.11  512.419  382.306   3.2886  378.658   2.3431 3.648346 4.037969 
1 1 1    5    7   -5 o  339.185   1.7120 33102.71  291.442 32976.41  336.795 33479.22  581.506  337.914   1.7257  340.455   2.9574 -2.540161 3.424087 
1 1 1    5    8   -5 o  132.103   1.4763  5039.70  112.634   0.0000   0.0000  5039.70  112.634  ?   ?   132.103   1.4763      ?      ? 
1 1 1    5    9   -5 o  227.673   1.0986 14946.28  142.204 15099.41  222.084 14839.87  185.134  228.659   1.6817  226.687   1.4141 1.971512 2.197201 
1 1 1    5   10   -5 o  775.936   2.9926 173732.91  1310.56 173004.59  1681.63 174859.50  2091.52  773.899   3.7624  777.973   4.6549 -4.074280 5.985280 
1 1 1    5   11   -5 o  207.029   1.0684 12371.85  125.770 12410.56  196.000 12344.76  163.982  207.303   1.6371  206.755   1.3733 0.5486298 2.136780 
1 1 1    5   12   -5 o  1099.94   3.7159 349606.31  2359.84 351975.50  3302.38 347134.00  3373.38  1103.76   5.1804  1096.13   5.3287 7.632813 7.431811 
1 1 1    5   13   -5 o  829.273   3.0326 198705.80  1382.33 198457.09  2347.47 198837.91  1710.30  828.837   4.9040  829.709   3.5691 -0.8726196 6.065260 
1 1 1    5   14   -5 o  515.641   2.6765 76806.30  756.099 76772.11  1293.20 76824.05  931.997  515.536   4.3433  515.747   3.1289 -0.2117310 5.352981 
1 1 1    5   15   -5 o  640.635   2.4919 118502.80  904.540 118726.80  1425.27 118351.80  1170.46  641.130   3.8492  640.141   3.1659 0.9890137 4.983868 
1 1 1    5   16   -5 o  470.665   1.7831 64136.64  458.486 63483.07  786.850 64472.61  564.154  468.837   2.9059  472.493   2.0674 -3.655762 3.566289 
1 1 1    5   17   -5 o  341.944   1.6283 33763.78  321.495 33583.43  449.240 33953.11  460.286  341.009   2.2810  342.880   2.3243 -1.871155 3.256623 
1 1 1    5   18   -5 o  174.254   1.1681  8768.89  117.475  8767.04  169.292  8770.62  163.148  174.236   1.6823  174.272   1.6210 -0.3585815E-01 2.336183 
1 1 1    5   19   -5 o  221.789   1.2365 14206.88  158.368 14062.32  224.650 14349.69  223.288  220.667   1.7627  222.910   1.7344 -2.243561 2.472921 
1 1 1    5   20   -5 o  358.377   2.3288 37096.95  481.984 37064.12  677.332 37130.64  686.007  358.216   3.2739  358.537   3.3129 -0.3202820 4.657688 
1 1 1    5   21   -5 o  155.779   1.4841  6989.73  117.147  7047.60  230.178  6969.49  136.090  156.209   2.5514  155.350   1.5168 0.8595428 2.968190 
1 1 1    5   22   -5 o  660.091   3.2347 125863.80  1233.18   0.0000   0.0000 125863.80  1233.18  ?   ?   660.091   3.2347      ?      ? 
1 1 1    5   23   -5 o  141.269   1.9017  5744.04  154.021  5928.16  233.926  5603.14  204.637  143.259   2.8273  139.280   2.5440 3.978775 3.803338 
1 1 1    5   24   -5 o  522.964   3.1232 79042.17  943.144 79055.86  1321.51 79027.97  1346.45  523.014   4.3749  522.914   4.4584 0.1004028 6.246369 
1 1 1    5   25   -5 o  161.839   1.8398  7567.58  171.510  7544.43  251.660  7587.67  234.365  161.605   2.6963  162.072   2.5038 -0.4665680 3.679571 
1 1 1    5   26   -5 o  114.841   2.1756  3809.54  144.297  3809.54  144.297   0.0000   0.0000  114.841   2.1756  ?   ?       ?      ? 
1 1 1    5   27   -5 o  312.091   2.0592 28136.20  371.080 27782.36  518.538 28507.62  531.267  310.081   2.8955  314.100   2.9286 -4.019073 4.118303 
1 1 1    5   28   -5 o  197.069   1.5652 11239.48  167.866 11159.78  290.531 11279.42  205.671  196.529   2.5596  197.608   1.8021 -1.078842 3.130401 
1 1 1    5   29   -5 o  308.248   1.8203 27361.27  304.439 27734.99  532.778 27180.08  370.969  309.770   2.9780  306.726   2.0941 3.044098 3.640566 
1 1 1    5   30   -5 o  261.266   1.5207 19596.71  191.298 19950.81  406.065 19495.70  216.872  262.733   2.6761  259.799   1.4454 2.934357 3.041451 
1 1 1    5   31   -5 o   81.440   2.2031  1916.61  103.625   0.0000   0.0000  1916.61  103.625  ?   ?    81.440   2.2031      ?      ? 
1 1 1    5   32   -5 o  193.016   1.6669 10763.16  185.815   0.0000   0.0000 10763.16  185.815  ?   ?   193.016   1.6669      ?      ? 
1 1 1    5   33   -5 o  148.858   1.8141  6399.01  155.075  6474.40  232.683  6338.76  208.004  149.637   2.6924  148.079   2.4322 1.558167 3.628276 
1 1 1    5   34   -5 o   71.468   3.0564  1473.88  125.870  1579.64  185.731  1384.05  171.173   73.827   4.3560   69.109   4.2886 4.717834 6.112812 
1 1 1    5   35   -5 o  189.138   1.8094 10336.95  197.649   0.0000   0.0000 10336.95  197.649  ?   ?   189.138   1.8094      ?      ? 
1 1 1    5   36   -5 o  263.963   2.0025 20039.65  304.223 18838.42  409.852 21513.59  453.998  255.212   2.7806  272.715   2.8824 -17.50333 4.005034 
1 1 1    5   37   -5 o  140.843   1.9796  5744.46  160.822  5579.83  231.169  5898.87  223.879  138.878   2.8821  142.808   2.7144 -3.930038 3.959108 
1 1 1    5   38   -5 o  164.135   2.4193  7790.78  229.339   0.0000   0.0000  7790.78  229.339  ?   ?   164.135   2.4193      ?      ? 
1 1 1    5   39   -5 o  110.805   3.0489  3554.73  195.115   0.0000   0.0000  3554.73  195.115  ?   ?   110.805   3.0489      ?      ? 
1 1 1    5   40   -5 o  115.760   2.9730  3880.89  198.763   0.0000   0.0000  3880.89  198.763  ?   ?   115.760   2.9730      ?      ? 
1 1 1    5   41   -5 o  152.161   2.4575  6701.83  215.967   0.0000   0.0000  6701.83  215.967  ?   ?   152.161   2.4575      ?      ? 
1 1 1    5   42   -5 o   86.795   3.6599  2189.64  183.466   0.0000   0.0000  2189.64  183.466  ?   ?    86.795   3.6599      ?      ? 
1 1 1    5   43   -5 o   65.062   4.9666  1240.96  186.624   0.0000   0.0000  1240.96  186.624  ?   ?    65.062   4.9666      ?      ? 
1 1 1    5   44   -5 o   73.313   4.2893  1574.51  181.616   0.0000   0.0000  1574.51  181.616  ?   ?    73.313   4.2893      ?      ? 
1 1 1    5   45   -5 o   24.577   9.0700  160.704  169.989   0.0000   0.0000  160.704  169.989  ?   ?    24.577   9.0700      ?      ? 
1 1 1    5   46   -5 o   98.960   3.2205  2866.12  184.067   0.0000   0.0000  2866.12  184.067  ?   ?    98.960   3.2205      ?      ? 
1 1 1    5   47   -5 o  125.788   2.2735  4647.72  165.055  4816.17  232.636  4476.98  234.218  128.129   3.1437  123.446   3.2852 4.683167 4.547005 
1 1 1    5   48   -5 o   14.601   6.9327 -158.5069  158.124   0.0000   0.0000 -158.5069  158.124  ?   ?    14.601   6.9327      ?      ? 
1 1 1    5   49   -5 o   22.795   8.7359  146.656  161.021   0.0000   0.0000  146.656  161.021  ?   ?    22.795   8.7359      ?      ? 
1 1 1    5   50   -5 o  108.556   2.4967  3542.38  150.613  3348.60  245.215  3659.77  190.855  105.688   4.0173  111.425   2.9658 -5.736771 4.993456 
1 1 1    5   51   -5 o   47.821   6.3420  733.200  175.159   0.0000   0.0000  733.200  175.159  ?   ?    47.821   6.3420      ?      ? 
1 1 1    5    0   -6 o   50.795   2.2226  721.520   48.869  705.190   53.516  803.491  119.897   49.308   1.8855   52.283   4.0256 -0.000000 0.000000 
1 1 1    5    1   -6 f  354.329   1.9088 36312.09  368.156 36115.20  637.173 36410.75  451.072  353.595   3.1201  355.064   2.1997 -1.469238 3.817512 
1 1 1    5    2   -6 o   79.873   1.3725  1814.46   58.060  1773.84   69.053  1912.44  107.253   78.373   1.5256   81.374   2.2821 -3.000969 2.745083 
1 1 1    5    3   -6 o  356.523   1.8927 36689.62  368.443 36784.54  635.044 36641.46  452.364  356.858   3.0812  356.188   2.1990 0.6708984 3.785432 
1 1 1    5    4   -6 f   51.479   2.1778  760.170   57.820  753.784   67.766  777.265  110.870   51.087   2.2967   51.871   3.7009 -0.7834702 4.355631 
1 1 1    5    5   -6 o  419.359   2.1568 50790.52  522.372   0.0000   0.0000 50790.52  522.372  ?   ?   419.359   2.1568      ?      ? 
1 1 1    5    6   -6 o  225.761   1.7459 14719.30  227.642   0.0000   0.0000 14719.30  227.642  ?   ?   225.761   1.7459      ?      ? 
1 1 1    5    7   -6 o  338.424   1.8996 33122.86  347.841 33204.30  423.691 32954.46  609.222  339.074   2.1636  337.774   3.1229 1.299408 3.799180 
1 1 1    5    8   -6 o  429.213   1.7289 53292.43  417.967 53600.44  535.716 52813.27  668.185  430.807   2.1531  427.619   2.7055 3.188568 3.457726 
1 1 1    5    9   -6 o  576.328   2.5884 95962.16  861.239 96621.49  1203.64 95270.44  1232.84  578.359   3.6034  574.296   3.7169 4.063049 5.176879 
1 1 1    5   10   -6 o  207.489   1.1502 12434.50  137.801 12526.90  193.319 12339.06  196.479  208.273   1.6072  206.705   1.6458 1.567734 2.300351 
1 1 1    5   11   -6 o  859.353   4.3195 213750.20  1808.22 214053.41  2063.35 212746.50  3754.04  860.826   4.1502  857.880   7.5768 2.946106 8.639021 
1 1 1    5   12   -6 o  411.492   1.4823 48904.81  352.209 49144.88  493.737 48656.07  502.578  412.521   2.0724  410.463   2.1200 2.057373 2.964663 
1 1 1    5   13   -6 o  338.426   1.5917 33085.33  310.948 33400.59  434.266 32753.63  445.441  340.081   2.2110  336.770   2.2902 3.310760 3.183310 
1 1 1    5   14   -6 f  212.870   1.4334 13061.14  164.593 13156.06  290.875 13016.44  199.626  213.435   2.3597  212.305   1.6281 1.130676 2.866837 
1 1 1    5   15   -6 o  896.201   4.3011 232136.80  1790.85 231961.20  3973.72 232181.50  2006.14  895.831   7.6804  896.570   3.8743 -0.7391357 8.602272 
1 1 1    5   16   -6 o  721.352   2.7874 150314.20  1140.83 150228.50  1788.71 150373.00  1481.20  721.161   4.2946  721.542   3.5544 -0.3811035 5.574708 
1 1 1    5   17   -6 o  357.797   1.8837 37103.13  339.916 36705.29  669.515 37241.28  394.549  356.489   3.2518  359.104   1.9024 -2.615448 3.767420 
1 1 1    5   18   -6 o  114.242   1.2322  3780.50   79.997  3703.55  124.135  3835.15  104.619  113.244   1.8980  115.240   1.5719 -1.995766 2.464382 
1 1 1    5   19   -6 o  259.618   1.6803 19389.93  233.929 19262.56  282.049 19670.65  418.728  258.263   1.8909  260.973   2.7781 -2.709717 3.360595 
1 1 1    5   20   -6 o  463.723   3.1605 62112.29  846.444   0.0000   0.0000 62112.29  846.444  ?   ?   463.723   3.1605      ?      ? 
1 1 1    5   21   -6 o  143.520   1.9102  5935.61  157.977  6144.67  232.824  5757.23  215.058  145.856   2.7639  141.185   2.6374 4.671890 3.820345 
1 1 1    5   22   -6 o  100.749   2.0885  2931.57  121.523   0.0000   0.0000  2931.57  121.523  ?   ?   100.749   2.0885      ?      ? 
1 1 1    5   23   -6 o  212.111   1.8201 12993.77  222.970   0.0000   0.0000 12993.77  222.970  ?   ?   212.111   1.8201      ?      ? 
1 1 1    5   24   -6 o  150.307   1.6436  6521.90  135.389  6537.34  231.568  6513.89  166.884  150.436   2.6653  150.178   1.9241 0.2585144 3.287204 
1 1 1    5   25   -6 o  104.465   2.8329  3152.69  170.914   0.0000   0.0000  3152.69  170.914  ?   ?   104.465   2.8329      ?      ? 
1 1 1    5   26   -6 o  533.186   3.2773 82151.04  1009.22 82151.04  1009.22   0.0000   0.0000  533.186   3.2773  ?   ?       ?      ? 
1 1 1    5   27   -6 o  131.255   1.9672  4974.81  148.449  5009.38  221.051  4946.42  200.350  131.666   2.9069  130.843   2.6513 0.8229523 3.934388 
1 1 1    5   28   -6 f   12.360   4.2624 -238.8207   93.310 -253.3443  118.216 -214.8174  151.975   10.838   5.3371   13.881   6.6475 -3.043281 8.524886 
1 1 1    5   29   -6 o  337.894   1.9372 32911.07  354.676 33243.39  621.796 32750.79  431.814  339.108   3.1749  336.680   2.2207 2.428284 3.874443 
1 1 1    5   30   -6 o  383.921   2.4523 42624.69  543.708 42360.23  762.751 42897.88  775.240  382.713   3.4508  385.128   3.4853 -2.415222 4.904679 
1 1 1    5   31   -6 o  274.474   1.9648 21780.56  311.449 21537.50  440.589 22023.31  440.322  272.941   2.7950  276.006   2.7623 -3.064819 3.929641 
1 1 1    5   32   -6 f  155.450   1.5785  6899.02  128.957  7188.08  240.753  6782.71  152.712  157.679   2.6437  153.220   1.7257 4.459229 3.157097 
1 1 1    5   33   -6 f  210.254   1.7729 12783.28  215.241 12579.81  306.018 12982.49  302.800  208.594   2.5402  211.913   2.4741 -3.318695 3.545898 
1 1 1    5   34   -6 o  161.624   1.8406  7548.35  171.812   0.0000   0.0000  7548.35  171.812  ?   ?   161.624   1.8406      ?      ? 
1 1 1    5   35   -6 o  210.586   1.6633 12903.86  194.310 12514.39  320.850 13129.44  244.182  208.027   2.6705  213.145   1.9836 -5.118103 3.326611 
1 1 1    5   36   -6 f  139.220   2.3009  5623.69  176.716  5658.11  219.895  5560.94  296.946  139.869   2.7221  138.572   3.7104 1.297882 4.601827 
1 1 1    5   37   -6 o   58.875   4.3569  1005.28  148.147   0.0000   0.0000  1005.28  148.147  ?   ?    58.875   4.3569      ?      ? 
1 1 1    5   38   -6 o  341.493   1.9010 33950.08  332.081 33278.18  638.187 34199.56  388.875  339.015   3.2594  343.971   1.9575 -4.956024 3.802075 
1 1 1    5   39   -6 o  138.785   1.9693  5581.84  156.215  5523.69  238.045  5625.83  207.030  138.126   2.9840  139.444   2.5707 -1.317612 3.938606 
1 1 1    5   40   -6 o  118.623   2.1100  4069.60  144.554   0.0000   0.0000  4069.60  144.554  ?   ?   118.623   2.1100      ?      ? 
1 1 1    5   41   -6 o  120.967   2.6203  4285.75  175.720  4383.91  221.011  4117.08  289.719  122.967   3.1120  118.968   4.2166 3.998688 5.240643 
1 1 1    5   42   -6 o   46.388   4.5002  618.554  119.058  524.555  154.835  754.524  186.222   42.185   6.3551   50.591   6.3734 -8.406059 9.000429 
1 1 1    5   43   -6 o   88.994   2.9838  2300.27  153.361   0.0000   0.0000  2300.27  153.361  ?   ?    88.994   2.9838      ?      ? 
1 1 1    5   44   -6 f   31.562   7.5946  312.655  136.759   0.0000   0.0000  312.655  136.759  ?   ?    31.562   7.5946      ?      ? 
1 1 1    5   45   -6 o   56.450   4.2529  937.932  138.655   0.0000   0.0000  937.932  138.655  ?   ?    56.450   4.2529      ?      ? 
1 1 1    5   46   -6 o   74.107   4.2870  1625.61  183.485   0.0000   0.0000  1625.61  183.485  ?   ?    74.107   4.2870      ?      ? 
1 1 1    5   47   -6 o   47.525   6.0276  691.749  165.447   0.0000   0.0000  691.749  165.447  ?   ?    47.525   6.0276      ?      ? 
1 1 1    5   48   -6 o   35.803   8.1446  430.328  164.615   0.0000   0.0000  430.328  164.615  ?   ?    35.803   8.1446      ?      ? 
1 1 1    5   49   -6 o   52.990   5.3998  861.466  165.255   0.0000   0.0000  861.466  165.255  ?   ?    52.990   5.3998      ?      ? 
1 1 1    5   50   -6 o   18.449   8.0548   18.754  162.151   0.0000   0.0000   18.754  162.151  ?   ?    18.449   8.0548      ?      ? 
1 1 1    5   51   -6 o   63.478   4.6068  1233.38  168.893   0.0000   0.0000  1233.38  168.893  ?   ?    63.478   4.6068      ?      ? 
1 1 1    5    0   -7 o  377.604   2.4299 41182.93  529.873 41182.93  529.873   0.0000   0.0000  377.604   2.4299  377.604   2.4299 -0.000000 0.000000 
1 1 1    5    1   -7 o  340.106   1.4978 33406.88  294.198 33285.67  415.742 33528.46  416.377  339.488   2.1204  340.724   2.1159 -1.235931 2.995520 
1 1 1    5    2   -7 o  640.914   3.2412 118699.50  1130.77 118724.20  1384.58 118650.10  1959.47  641.075   3.7396  640.752   5.2950 0.3229980 6.482384 
1 1 1    5    3   -7 f  210.288   1.4988 12828.65  170.910 12603.90  297.125 12939.77  208.934  208.901   2.4627  211.675   1.7091 -2.774033 2.997640 
1 1 1    5    4   -7 o  535.480   2.6746 82922.93  777.563 82570.43  1353.19 83096.70  950.075  534.596   4.3828  536.365   3.0670 -1.769775 5.349300 
1 1 1    5    5   -7 o   40.825   2.7136  439.414   49.176  418.091   53.733  549.358  122.011   38.047   2.4453   43.604   4.8450 -5.556107 5.427103 
1 1 1    5    6   -7 o  321.141   1.6619 29904.78  249.816 29581.89  547.430 29989.71  280.754  320.029   2.9618  322.253   1.5085 -2.223633 3.323816 
1 1 1    5    7   -7 o  434.792   2.0171 54605.62  506.465 54182.65  719.796 55020.34  712.755  433.123   2.8775  436.460   2.8275 -3.336670 4.034221 
1 1 1    5    8   -7 o  456.494   1.9088 60219.02  494.729 60002.30  773.432 60369.10  643.623  455.792   2.9381  457.196   2.4375 -1.404083 3.817587 
1 1 1    5    9   -7 o   83.392   1.7327  2015.98   79.222  1984.22  134.747  2032.75   97.937   82.886   2.8148   83.897   2.0212 -1.010841 3.465330 
1 1 1    5   10   -7 o  124.222   1.1078  4457.18   79.419  4481.68  110.442  4430.95  114.287  124.576   1.5350  123.868   1.5975 0.7072906 2.215499 
1 1 1    5   11   -7 o  762.413   2.6668 167871.09  1174.14 166244.30  1646.23 169555.50  1675.10  758.654   3.7572  766.171   3.7856 -7.516541 5.333564 
1 1 1    5   12   -7 o  849.302   4.1525 208010.59  1929.13 209659.09  3316.95 207167.91  2371.46  851.765   6.7427  846.839   4.8487 4.925354 8.305080 
1 1 1    5   13   -7 o  1026.24   3.7583 304372.69  2089.46 304578.50  2546.87 303948.81  3654.25  1026.85   4.2945  1025.63   6.1691 1.220947 7.516675 
1 1 1    5   14   -7 o  463.098   2.5180 61763.30  625.784 61460.42  755.312 62426.34  1117.52  461.310   2.8350  464.886   4.1622 -3.576660 5.035975 
1 1 1    5   15   -7 o  375.003   2.1877 40523.13  451.451 40919.38  766.907 40313.00  558.465  376.394   3.5279  373.612   2.5882 2.781799 4.375445 
1 1 1    5   16   -7 o  667.369   2.9069 128680.80  1119.81 129620.50  1561.41 127685.70  1606.86  669.882   4.0358  664.857   4.1847 5.025452 5.813759 
1 1 1    5   17   -7 o  194.669   1.2606 10942.92  141.721 11041.76  201.665 10846.48  199.204  195.537   1.7857  193.800   1.7798 1.736771 2.521186 
1 1 1    5   18   -7 o  268.491   1.2566 20819.46  191.137 20811.79  301.133 20824.63  247.350  268.448   1.9423  268.534   1.5949 -0.8624268E-01 2.513188 
1 1 1    5   19   -7 o  107.489   1.7183  3329.41   97.497  3355.40  179.213  3318.48  116.196  107.784   2.8789  107.195   1.8769 0.5886612 3.436696 
1 1 1    5   20   -7 o  301.729   1.7245 26388.36  286.668 26612.22  356.338 25977.69  482.626  303.556   2.0325  299.901   2.7864 3.655029 3.448960 
1 1 1    5   21   -7 o  445.167   2.5008 57237.65  642.964   0.0000   0.0000 57237.65  642.964  ?   ?   445.167   2.5008      ?      ? 
1 1 1    5   22   -7 o  212.710   1.9568 13067.45  240.389   0.0000   0.0000 13067.45  240.389  ?   ?   212.710   1.9568      ?      ? 
1 1 1    5   23   -7 o  416.854   2.2151 50189.32  533.277   0.0000   0.0000 50189.32  533.277  ?   ?   416.854   2.2151      ?      ? 
1 1 1    5   24   -7 o  386.888   2.3043 43293.54  492.370 43085.52  826.742 43407.88  612.922  386.137   3.7072  387.638   2.7377 -1.501190 4.608513 
1 1 1    5   25   -7 o  373.781   1.8306 40366.62  394.089 40438.39  537.871 40283.43  579.057  374.146   2.4892  373.417   2.6850 0.7286072 3.661289 
1 1 1    5   26   -7 o  250.297   1.9403 18095.84  280.478 18095.84  280.478   0.0000   0.0000  250.297   1.9403  ?   ?       ?      ? 
1 1 1    5   27   -7 o  458.204   2.5491 60737.89  629.421 60568.23  1111.52 60817.99  763.657  457.645   4.2054  458.764   2.8822 -1.119781 5.098250 
1 1 1    5   28   -7 o   88.609   2.5472  2261.10  129.465  2345.19  196.348  2196.42  172.201   90.055   3.7751   87.163   3.4207 2.892342 5.094412 
1 1 1    5   29   -7 o  229.190   1.7812 15174.16  235.775   0.0000   0.0000 15174.16  235.775  ?   ?   229.190   1.7812      ?      ? 
1 1 1    5   30   -7 o  162.985   1.5684  7719.21  136.789  7560.83  243.623  7792.13  165.306  161.736   2.6081  164.234   1.7428 -2.496979 3.136796 
1 1 1    5   31   -7 o  279.373   2.1093 22553.98  340.341 22553.98  340.341   0.0000   0.0000  279.373   2.1093  ?   ?       ?      ? 
1 1 1    5   32   -7 o  222.104   1.6865 14298.29  203.182 14373.91  248.261 14144.89  353.591  223.033   1.9273  221.174   2.7681 1.859650 3.372974 
1 1 1    5   33   -7 o   86.024   2.1903  2115.41   96.816  2196.43  187.394  2085.91  113.076   87.100   3.7252   84.948   2.3048 2.151810 4.380559 
1 1 1    5   34   -7 o   83.935   1.7425  2038.57   82.239  2029.15  132.237  2044.52  105.018   83.765   2.7334   84.105   2.1620 -0.3394012 3.485089 
1 1 1    5   35   -7 o  199.686   1.3966 11519.14  161.068   0.0000   0.0000 11519.14  161.068  ?   ?   199.686   1.3966      ?      ? 
1 1 1    5   36   -7 o  129.145   2.0584  4850.44  146.917  4735.97  245.082  4914.66  183.553  127.914   3.3175  130.375   2.4377 -2.460968 4.116807 
1 1 1    5   37   -7 o  180.693   1.5131  9474.47  143.180  9352.96  265.344  9524.38  170.064  179.832   2.5548  181.555   1.6219 -1.722931 3.026136 
1 1 1    5   38   -7 o   49.101   4.4616  709.959  125.308  776.150  171.545  634.237  183.480   51.620   5.7541   46.581   6.8201 5.038353 8.923193 
1 1 1    5   39   -7 o  117.042   2.0290  3887.75  125.630  4159.54  233.247  3776.68  149.107  119.811   3.3708  114.272   2.2593 5.538872 4.057914 
1 1 1    5   40   -7 o   56.756   4.4983  941.232  146.551  1091.88  213.134  806.136  201.836   61.092   6.0407   52.419   6.6669 8.672768 8.996503 
1 1 1    5   41   -7 o   91.123   2.6015  2404.85  136.911  2404.85  136.911   0.0000   0.0000   91.123   2.6015  ?   ?       ?      ? 
1 1 1    5   42   -7 o   92.271   2.5117  2467.06  133.850   0.0000   0.0000  2467.06  133.850  ?   ?    92.271   2.5117      ?      ? 
1 1 1    5   43   -7 o  129.276   2.0659  4840.24  154.243   0.0000   0.0000  4840.24  154.243  ?   ?   129.276   2.0659      ?      ? 
1 1 1    5   44   -7 o   32.373   6.8898  326.121  124.861   0.0000   0.0000  326.121  124.861  ?   ?    32.373   6.8898      ?      ? 
1 1 1    5   45   -7 o   22.267   9.0031   90.072  179.347   0.0000   0.0000   90.072  179.347  ?   ?    22.267   9.0031      ?      ? 
1 1 1    5   46   -7 o   57.820   5.4519  1006.64  182.060   0.0000   0.0000  1006.64  182.060  ?   ?    57.820   5.4519      ?      ? 
1 1 1    5   47   -7 o   21.471   7.4109  138.536  111.612   0.0000   0.0000  138.536  111.612  ?   ?    21.471   7.4109      ?      ? 
1 1 1    5   48   -7 o   38.352   5.0235  445.975  111.270   0.0000   0.0000  445.975  111.270  ?   ?    38.352   5.0235      ?      ? 
1 1 1    5   49   -7 o   40.671   7.4513  546.834  168.573   0.0000   0.0000  546.834  168.573  ?   ?    40.671   7.4513      ?      ? 
1 1 1    5   50   -7 o   53.230   5.5759  881.816  171.418   0.0000   0.0000  881.816  171.418  ?   ?    53.230   5.5759      ?      ? 
1 1 1    5   51   -7 f   15.867   7.4077 -93.2697  167.445   0.0000   0.0000 -93.2697  167.445  ?   ?    15.867   7.4077      ?      ? 
1 1 1    5    0   -8 o  157.444   1.4997  7160.43  136.340   0.0000   0.0000  7160.43  136.340  157.444   1.4997  157.444   1.4997 -0.000000 0.000000 
1 1 1    5    1   -8 o  165.612   1.2379  7973.27  101.570  8023.50  116.928  7818.85  205.013  166.685   1.2146  164.539   2.1574 2.145996 2.475801 
1 1 1    5    2   -8 o   52.717   1.8194  804.721   55.251  854.483   77.192  752.446   79.117   54.393   2.4572   51.041   2.6839 3.351555 3.638823 
1 1 1    5    3   -8 o  221.266   1.3704 14180.60  151.155 14221.46  174.377 14057.09  303.154  221.914   1.3606  220.618   2.3792 1.296356 2.740789 
1 1 1    5    4   -8 o  324.848   1.7230 30475.08  323.250 30475.08  323.250   0.0000   0.0000  324.848   1.7230  ?   ?       ?      ? 
1 1 1    5    5   -8 f  667.636   3.7257 128794.50  1436.56 129166.80  2040.93 128429.00  2022.40  668.591   5.2855  666.681   5.2525 1.909546 7.451488 
1 1 1    5    6   -8 o  411.751   1.7276 48957.55  399.509 48934.99  508.723 48993.86  645.312  411.634   2.1399  411.869   2.7129 -0.2351685 3.455223 
1 1 1    5    7   -8 o  269.209   1.2229 21005.31  185.146 21269.79  237.102 20592.06  296.377  271.390   1.5127  267.027   1.9218 4.362518 2.445719 
1 1 1    5    8   -8 o   50.172   1.9357  728.172   55.064  733.229   71.505  720.803   86.314   50.387   2.4571   49.957   2.9916 0.4301643 3.871322 
1 1 1    5    9   -8 o  240.728   1.1778 16697.49  160.092 16558.63  205.371 16912.56  255.585  239.456   1.4850  241.999   1.8287 -2.543106 2.355692 
1 1 1    5   10   -8 o  602.234   2.3415 104796.90  801.655 104502.40  1248.33 105003.50  1045.79  601.504   3.5934  602.964   3.0031 -1.460083 4.683070 
1 1 1    5   11   -8 o  956.666   3.9305 264390.41  2171.24 263040.00  3037.81 265800.81  3104.46  954.173   5.5125  959.159   5.6042 -4.986450 7.860933 
1 1 1    5   12   -8 o  755.860   3.5229 164317.00  1248.80 163799.50  1402.34 166300.00  2744.89  753.083   3.2242  758.637   6.2648 -5.553650 7.045781 
1 1 1    5   13   -8 o  1096.73   4.3659 348119.59  2688.13 349996.69  3425.97 345112.81  4335.98  1100.66   5.3894  1092.80   6.8701 7.863281 8.731779 
1 1 1    5   14   -8 o  874.924   3.3406 220786.91  1648.05 219547.80  2110.43 222723.41  2638.38  871.816   4.1914  878.031   5.2029 -6.214844 6.681141 
1 1 1    5   15   -8 o  513.280   2.0402 76096.35  595.234 76052.52  927.912 76127.00  775.910  513.148   3.1310  513.412   2.6167 -0.2641602 4.080473 
1 1 1    5   16   -8 o  385.137   1.5856 42736.04  344.629 42366.27  441.644 43311.79  551.085  383.016   1.9965  387.259   2.4640 -4.243042 3.171291 
1 1 1    5   17   -8 f  243.779   1.5632 17155.25  214.274 17196.26  345.154 17129.53  273.322  244.013   2.4491  243.545   1.9432 0.4684601 3.126371 
1 1 1    5   18   -8 o  419.757   2.2352 50807.91  514.803 51160.10  879.298 50624.23  635.016  420.847   3.6176  418.666   2.6262 2.180908 4.470391 
1 1 1    5   19   -8 o  729.156   3.6499 153843.41  1336.42 153208.20  2653.84 154059.20  1546.87  728.026   6.3116  730.286   3.6675 -2.260071 7.299835 
1 1 1    5   20   -8 o  182.081   1.8799  9573.28  197.114  9607.08  290.288  9544.36  268.506  182.378   2.7560  181.784   2.5575 0.5936127 3.759794 
1 1 1    5   21   -8 o  496.145   2.7898 71386.38  756.760 70290.53  1294.80 71954.94  932.636  493.201   4.5456  499.089   3.2356 -5.888428 5.579557 
1 1 1    5   22   -8 o  283.313   2.1925 23182.98  358.746   0.0000   0.0000 23182.98  358.746  ?   ?   283.313   2.1925      ?      ? 
1 1 1    5   23   -8 o  388.708   2.2467 43698.03  485.624 43479.57  802.856 43824.06  609.833  387.917   3.5836  389.499   2.7109 -1.582245 4.493445 
1 1 1    5   24   -8 o  164.960   2.2119  7860.04  210.735   0.0000   0.0000  7860.04  210.735  ?   ?   164.960   2.2119      ?      ? 
1 1 1    5   25   -8 o  289.424   2.0681 24199.36  345.295 24136.57  476.711 24268.66  500.822  289.033   2.8558  289.815   2.9921 -0.7824097 4.136192 
1 1 1    5   26   -8 o  279.685   2.0556 22596.08  332.043 22596.08  332.043   0.0000   0.0000  279.685   2.0556  ?   ?       ?      ? 
1 1 1    5   27   -8 o   96.204   2.4352  2673.26  135.130  2634.47  185.860  2716.76  196.815   95.466   3.3709   96.941   3.5153 -1.475227 4.870394 
1 1 1    5   28   -8 o  141.547   1.9312  5790.13  157.860  5677.08  222.551  5904.61  223.951  140.156   2.7494  142.939   2.7128 -2.782562 3.862419 
1 1 1    5   29   -8 o  178.291   1.2921  9184.22  133.029  9113.96  189.342  9252.71  186.943  177.617   1.8458  178.965   1.8087 -1.348450 2.584196 
1 1 1    5   30   -8 o  337.781   1.9242 33172.45  325.874 32599.77  646.396 33367.59  377.333  335.725   3.3337  339.836   1.9225 -4.110992 3.848347 
1 1 1    5   31   -8 o  257.865   1.3052 19190.21  192.447 19368.33  294.224 19057.03  254.416  258.900   1.9677  256.830   1.7152 2.069550 2.610322 
1 1 1    5   32   -8 o  269.787   1.4550 21027.20  226.676 20522.00  317.420 21552.96  323.813  266.481   2.0624  273.094   2.0530 -6.612518 2.910097 
1 1 1    5   33   -8 o  179.160   1.8030  9274.82  186.562   0.0000   0.0000  9274.82  186.562  ?   ?   179.160   1.8030      ?      ? 
1 1 1    5   34   -8 o   42.628   4.5742  527.667  112.457  565.669  163.632  493.651  154.811   44.080   6.4274   41.175   6.5101 2.905830 9.148377 
1 1 1    5   35   -8 o   96.692   3.0745  2705.06  171.694   0.0000   0.0000  2705.06  171.694  ?   ?    96.692   3.0745      ?      ? 
1 1 1    5   36   -8 o  172.359   2.1538  8587.51  214.404   0.0000   0.0000  8587.51  214.404  ?   ?   172.359   2.1538      ?      ? 
1 1 1    5   37   -8 o   69.374   4.2674  1395.92  170.981   0.0000   0.0000  1395.92  170.981  ?   ?    69.374   4.2674      ?      ? 
1 1 1    5   38   -8 o  102.713   2.3424  3001.68  123.650  2939.46  144.217  3174.36  240.255  100.807   2.4771  104.619   3.9763 -3.811745 4.684738 
1 1 1    5   39   -8 o   43.863   7.1793  573.045  173.620  502.148  217.597  697.266  288.028   40.344   9.4964   47.381   10.770 -7.036983 14.35853 
1 1 1    5   40   -8 o   69.677   3.7661  1514.37  130.566  1218.94  247.122  1628.77  153.782   64.431   6.6410   74.922   3.5539 -10.49104 7.532111 
1 1 1    5   41   -8 o   55.106   4.8711  886.616  155.029   0.0000   0.0000  886.616  155.029  ?   ?    55.106   4.8711      ?      ? 
1 1 1    5   42   -8 o   73.075   4.0112  1571.29  169.225  1624.75  239.782  1518.25  238.861   74.334   5.5852   71.816   5.7589 2.518150 8.022448 
1 1 1    5   43   -8 o   75.105   3.0774  1640.33  133.489   0.0000   0.0000  1640.33  133.489  ?   ?    75.105   3.0774      ?      ? 
1 1 1    5   44   -8 o   37.753   6.8709  467.207  151.517  522.055  208.451  405.768  220.622   40.243   9.1727   35.262   10.232 4.980953 13.74184 
1 1 1    5   45   -8 o   48.815   6.0033  771.468  159.990  827.717  207.729  689.449  250.840   52.049   6.9104   45.581   9.8185 6.467491 12.00651 
1 1 1    5   46   -8 o   29.060   8.9438  278.899  164.803   0.0000   0.0000  278.899  164.803  ?   ?    29.060   8.9438      ?      ? 
1 1 1    5   47   -8 o   26.030   7.8682  222.417  128.314   0.0000   0.0000  222.417  128.314  ?   ?    26.030   7.8682      ?      ? 
1 1 1    5   48   -8 o   35.887   7.7616  429.417  156.191   0.0000   0.0000  429.417  156.191  ?   ?    35.887   7.7616      ?      ? 
1 1 1    5   49   -8 o   16.332   7.5777 -95.1443  170.988   0.0000   0.0000 -95.1443  170.988  ?   ?    16.332   7.5777      ?      ? 
1 1 1    5   50   -8 o   50.316   6.0967  801.646  177.170   0.0000   0.0000  801.646  177.170  ?   ?    50.316   6.0967      ?      ? 
1 1 1    5   51   -8 o   53.091   5.7548  896.531  176.455   0.0000   0.0000  896.531  176.455  ?   ?    53.091   5.7548      ?      ? 
1 1 1    5    0   -9 o  393.864   2.4278 44804.89  552.224   0.0000   0.0000 44804.89  552.224  393.864   2.4278  393.864   2.4278 -0.000000 0.000000 
1 1 1    5    1   -9 o  139.460   1.0290  5614.71   81.327  5626.22  128.059  5606.94  105.284  139.579   1.5886  139.340   1.3083 0.2380676 2.057942 
1 1 1    5    2   -9 o  486.641   1.6558 68395.39  460.546 68392.91  703.841 68397.26  609.022  486.629   2.5043  486.653   2.1668 -0.2386475E-01 3.311627 
1 1 1    5    3   -9 o  207.821   1.2247 12472.59  146.989 12439.45  207.348 12506.06  208.404  207.544   1.7298  208.098   1.7340 -0.5549011 2.449312 
1 1 1    5    4   -9 o  402.672   1.6598 46761.04  379.508 47192.79  595.048 46465.01  492.726  404.232   2.5488  401.111   2.1269 3.120880 3.319677 
1 1 1    5    5   -9 o  263.648   1.5880 20195.91  208.966 19833.51  417.327 20317.18  241.410  262.053   2.7574  265.243   1.5759 -3.189606 3.175965 
1 1 1    5    6   -9 o  689.631   3.4542 136666.30  1191.27 138865.41  2392.37 135941.30  1373.69  693.224   5.9754  686.039   3.4670 7.184570 6.908395 
1 1 1    5    7   -9 o  150.411   1.4060  6546.57  116.936  6579.04  145.856  6488.14  195.643  150.936   1.6732  149.887   2.2600 1.049438 2.812002 
1 1 1    5    8   -9 o  747.638   2.5800 161443.50  1114.01 159981.20  1570.48 162924.41  1580.45  744.230   3.6538  751.046   3.6436 -6.815308 5.160011 
1 1 1    5    9   -9 o  328.633   1.4179 31244.47  264.237 30895.94  413.869 31484.30  343.317  327.082   2.1909  330.185   1.8003 -3.103851 2.835701 
1 1 1    5   10   -9 o  648.338   2.2235 121389.70  832.499 120559.30  1167.76 122248.00  1187.15  646.084   3.1295  650.592   3.1594 -4.508118 4.447020 
1 1 1    5   11   -9 o  145.053   1.1645  6076.60   97.540  6049.26  139.024  6103.10  136.885  144.732   1.6632  145.375   1.6304 -0.6427765 2.329001 
1 1 1    5   12   -9 o  423.528   2.2048 51621.45  426.889 51504.05  475.362 52110.62  970.344  422.309   1.9490  424.748   3.9556 -2.439545 4.409657 
1 1 1    5   13   -9 o  519.064   2.0324 77772.18  599.656 78047.50  935.634 77580.25  781.192  519.838   3.1164  518.291   2.6097 1.546143 4.064818 
1 1 1    5   14   -9 o  319.283   1.9501 29485.30  336.006 29564.60  408.307 29318.93  591.403  319.956   2.2096  318.609   3.2140 1.346893 3.900229 
1 1 1    5   15   -9 o  567.960   2.4333 93168.34  798.153 92243.66  1125.32 94104.42  1132.23  565.124   3.4478  570.796   3.4345 -5.671875 4.866587 
1 1 1    5   16   -9 o  745.939   2.4337 160795.30  1033.72 161183.00  1353.97 160253.59  1600.60  747.032   3.1382  744.846   3.7208 2.186462 4.867493 
1 1 1    5   17   -9 o  182.137   1.2973  9581.09  136.447  9633.33  191.847  9527.62  194.102  182.640   1.8188  181.635   1.8503 1.005066 2.594528 
1 1 1    5   18   -9 o  273.867   1.7696 21555.36  250.799 21423.10  294.719 21902.60  477.528  272.361   1.8736  275.374   3.0026 -3.012634 3.539170 
1 1 1    5   19   -9 o  382.016   2.5469 42149.82  561.933   0.0000   0.0000 42149.82  561.933  ?   ?   382.016   2.5469      ?      ? 
1 1 1    5   20   -9 o  505.684   3.1544 73866.94  921.271   0.0000   0.0000 73866.94  921.271  ?   ?   505.684   3.1544      ?      ? 
1 1 1    5   21   -9 o  271.396   1.8333 21284.46  264.152 21250.63  479.544 21299.20  316.497  271.228   3.0613  271.564   2.0180 -0.3360596 3.666588 
1 1 1    5   22   -9 o  155.623   1.8961  7008.54  170.081  6731.10  245.267  7265.55  236.059  152.649   2.7820  158.597   2.5772 -5.948181 3.792282 
1 1 1    5   23   -9 o  155.520   1.9820  6967.81  177.720  7560.78  258.480  6436.16  244.750  161.779   2.7664  149.261   2.8392 12.51753 3.964085 
1 1 1    5   24   -9 o  606.601   3.6971 106344.30  1295.23 106344.30  1295.23   0.0000   0.0000  606.601   3.6971  ?   ?       ?      ? 
1 1 1    5   25   -9 o  184.584   1.9444  9865.17  206.340  9604.11  304.460 10086.94  280.613  182.316   2.8915  186.852   2.6003 -4.537003 3.888738 
1 1 1    5   26   -9 o  386.848   2.1600 43189.71  460.368 43052.96  570.597 43444.73  779.230  386.017   2.5594  387.680   3.4802 -1.663177 4.320008 
1 1 1    5   27   -9 o  187.803   1.8351 10188.38  199.047 10188.38  199.047   0.0000   0.0000  187.803   1.8351  ?   ?       ?      ? 
1 1 1    5   28   -9 o  117.586   1.5336  3994.75  104.149  4012.38  147.691  3977.32  146.891  117.844   2.1700  117.328   2.1677 0.5159302 3.067256 
1 1 1    5   29   -9 f  343.335   2.1554 34044.66  403.178 34195.40  698.230 33969.26  493.825  343.835   3.5161  342.836   2.4940 0.9989624 4.310835 
1 1 1    5   30   -9 o  128.236   2.2620  4764.37  166.999  4872.00  228.827  4641.72  244.275  129.798   3.0525  126.675   3.3389 3.122383 4.523928 
1 1 1    5   31   -9 o  114.757   2.1807  3809.23  144.515  3795.71  205.617  3822.43  203.156  114.554   3.1079  114.959   3.0598 -0.4053268 4.361377 
1 1 1    5   32   -9 o  233.321   1.1996 15754.64  154.473 15640.83  259.645 15817.00  192.186  232.649   1.9324  233.993   1.4221 -1.343674 2.399268 
1 1 1    5   33   -9 o  175.912   1.3090  8938.74  132.331  8974.44  197.438  8909.62  178.310  176.225   1.9399  175.599   1.7582 0.6261444 2.618100 
1 1 1    5   34   -9 o  171.591   1.7974  8411.00  165.418  8243.00  198.859  8788.34  298.036  168.883   2.0388  174.300   2.9606 -5.417099 3.594732 
1 1 1    5   35   -9 o   72.144   3.0535  1494.49  126.456  1638.45  192.221  1384.64  167.907   75.171   4.4276   69.117   4.2063 6.053383 6.107057 
1 1 1    5   36   -9 o   42.414   5.7661  578.476  121.706  449.517  230.477  628.342  143.318   38.332   10.223   46.496   5.3370 -8.164764 11.53226 
1 1 1    5   37   -9 o  183.514   2.3615  9727.19  249.745  9391.23  340.029 10120.73  368.015  180.093   3.2692  186.934   3.4087 -6.841782 4.722997 
1 1 1    5   38   -9 o  101.809   2.6179  2996.26  149.120  3040.27  243.999  2970.02  188.398  102.355   4.1276  101.263   3.2214 1.092133 5.235857 
1 1 1    5   39   -9 o  289.706   2.5978 24335.22  429.645 24266.14  565.916 24429.21  660.125  289.320   3.3868  290.091   3.9401 -0.7715454 5.195637 
1 1 1    5   40   -9 o   84.900   3.1479  2062.45  143.243  2194.62  259.318  2004.42  171.839   86.704   5.1786   83.097   3.5806 3.607162 6.295876 
1 1 1    5   41   -9 f  109.301   2.7112  3462.65  171.145   0.0000   0.0000  3462.65  171.145  ?   ?   109.301   2.7112      ?      ? 
1 1 1    5   42   -9 f   70.876   4.8989  1472.65  200.529   0.0000   0.0000  1472.65  200.529  ?   ?    70.876   4.8989      ?      ? 
1 1 1    5   43   -9 o   65.747   4.4474  1268.07  168.877   0.0000   0.0000  1268.07  168.877  ?   ?    65.747   4.4474      ?      ? 
1 1 1    5   44   -9 o   43.448   6.4446  568.374  161.715   0.0000   0.0000  568.374  161.715  ?   ?    43.448   6.4446      ?      ? 
1 1 1    5   45   -9 o  112.962   3.0894  3731.04  201.557   0.0000   0.0000  3731.04  201.557  ?   ?   112.962   3.0894      ?      ? 
1 1 1    5   46   -9 o   13.724   6.7257 -315.2098  180.605   0.0000   0.0000 -315.2098  180.605  ?   ?    13.724   6.7257      ?      ? 
1 1 1    5   47   -9 o   22.860   8.5184  150.338  150.662   0.0000   0.0000  150.338  150.662  ?   ?    22.860   8.5184      ?      ? 
1 1 1    5   48   -9 o   55.211   4.7839  922.432  152.544   0.0000   0.0000  922.432  152.544  ?   ?    55.211   4.7839      ?      ? 
1 1 1    5   49   -9 o   72.384   4.3079  1579.02  180.093   0.0000   0.0000  1579.02  180.093  ?   ?    72.384   4.3079      ?      ? 
1 1 1    5   50   -9 o   33.459   8.9463  407.453  176.222   0.0000   0.0000  407.453  176.222  ?   ?    33.459   8.9463      ?      ? 
1 1 1    5    0  -10 o  303.501   1.8321 26542.56  304.410 26405.17  374.505 26810.10  522.596  302.360   2.1449  304.643   2.9709 -0.000000 0.000000 
1 1 1    5    1  -10 o  527.175   2.6115 80067.87  686.483 79865.70  791.000 80684.86  1381.82  525.865   2.6045  528.485   4.5272 -2.620544 5.222932 
1 1 1    5    2  -10 o  204.527   1.2813 12064.54  134.869 12045.44  158.129 12115.50  258.336  204.233   1.3406  204.820   2.1839 -0.5872955 2.562514 
1 1 1    5    3  -10 o  563.342   2.1762 91791.39  692.667 92303.84  892.789 91016.48  1097.86  565.331   2.7344  561.354   3.3863 3.976746 4.352474 
1 1 1    5    4  -10 o  119.648   1.2818  4203.79   70.322  4249.82   78.646  4020.23  157.056  121.312   1.1225  117.985   2.3049 3.326714 2.563659 
1 1 1    5    5  -10 o  401.952   2.0675 46933.76  414.514 46124.29  828.812 47203.78  478.681  399.612   3.5911  404.292   2.0501 -4.679749 4.135094 
1 1 1    5    6  -10 o  555.283   2.7171 88847.78  755.907 89492.16  1510.61 88632.52  873.079  556.589   4.6993  553.977   2.7288 2.611511 5.434131 
1 1 1    5    7  -10 o  901.609   3.3394 234586.80  1635.36 234119.09  1997.03 235539.00  2849.36  900.302   3.8407  902.917   5.4640 -2.614319 6.678836 
1 1 1    5    8  -10 o  444.791   1.7729 57105.57  447.028 57296.05  703.558 56976.61  578.902  445.409   2.7350  444.174   2.2567 1.234863 3.545803 
1 1 1    5    9  -10 o  395.575   1.7277 45192.83  394.694 45043.70  561.098 45338.91  555.309  394.929   2.4600  396.221   2.4267 -1.292542 3.455481 
1 1 1    5   10  -10 o  221.776   1.2283 14203.51  157.323   0.0000   0.0000 14203.51  157.323  ?   ?   221.776   1.2283      ?      ? 
1 1 1    5   11  -10 o  364.899   1.5431 38491.38  319.423 38249.02  500.379 38658.06  414.977  363.926   2.3807  365.872   1.9639 -1.946075 3.086158 
1 1 1    5   12  -10 o  646.199   2.4128 120812.30  850.793 119977.90  1464.77 121237.10  1045.18  644.492   3.9352  647.906   2.7931 -3.414001 4.825693 
1 1 1    5   13  -10 o  879.264   4.3386 223012.70  2092.03 224616.09  3577.18 222179.30  2579.06  881.573   7.0258  876.955   5.0921 4.618408 8.677099 
1 1 1    5   14  -10 o  318.452   1.5045 29287.93  276.699 29156.32  392.056 29418.54  390.572  317.739   2.1364  319.165   2.1189 -1.425812 3.008978 
1 1 1    5   15  -10 o  270.921   1.6965 21295.49  251.036 20895.33  430.028 21502.35  309.187  268.976   2.7682  272.866   1.9619 -3.889374 3.392963 
1 1 1    5   16  -10 o  343.756   2.1557 34113.61  398.387 34084.13  482.059 34177.13  707.564  343.534   2.4297  343.977   3.5616 -0.4429016 4.311440 
1 1 1    5   17  -10 o  344.554   2.1015 34308.86  392.944 34345.87  479.812 34233.51  684.740  344.849   2.4091  344.259   3.4439 0.5896912 4.202915 
1 1 1    5   18  -10 o  331.652   1.8118 31654.18  308.722 32018.65  594.050 31519.31  361.351  332.941   3.0894  330.362   1.8939 2.579742 3.623672 
1 1 1    5   19  -10 o  282.573   1.8697 23056.71  282.600 23046.73  340.526 23078.78  506.521  282.487   2.0872  282.660   3.1028 -0.1735229 3.739459 
1 1 1    5   20  -10 o  629.467   4.1175 114555.30  1496.28 114513.60  2086.07 114599.50  2147.38  629.360   5.7391  629.574   5.9058 -0.2145386 8.235022 
1 1 1    5   21  -10 o  446.038   2.8193 57535.11  724.062 56871.88  1063.16 58108.85  988.832  443.626   4.1495  448.449   3.8179 -4.822876 5.638676 
1 1 1    5   22  -10 o   79.603   2.5860  1854.24  106.135  1779.23  200.352  1883.50  125.135   78.457   4.4215   80.748   2.6833 -2.290161 5.172041 
1 1 1    5   23  -10 o  532.570   3.1667 81996.29  974.003 82150.48  1382.62 81844.37  1372.33  533.065   4.4909  532.075   4.4658 0.9907227 6.333419 
1 1 1    5   24  -10 o  106.211   2.8051  3259.26  172.066   0.0000   0.0000  3259.26  172.066  ?   ?   106.211   2.8051      ?      ? 
1 1 1    5   25  -10 o  534.049   2.4396 82411.56  751.477 81961.32  1035.07 82913.42  1092.77  532.519   3.3655  535.579   3.5328 -3.059998 4.879282 
1 1 1    5   26  -10 o  277.675   1.3686 22267.54  215.138 22300.10  339.868 22245.76  277.904  277.835   2.1181  277.515   1.7339 0.3199158 2.737254 
1 1 1    5   27  -10 o  227.884   1.6155 14989.41  205.697 14944.76  259.691 15064.61  336.981  227.445   1.9769  228.323   2.5555 -0.8781891 3.230903 
1 1 1    5   28  -10 o   64.502   3.2777  1267.73  111.050  1044.62  194.380  1375.84  135.305   60.028   5.6068   68.975   3.3965 -8.947636 6.555337 
1 1 1    5   29  -10 o  258.937   1.2526 19395.57  177.910 19290.31  303.138 19450.88  219.734  258.382   2.0314  259.492   1.4662 -1.110016 2.505236 
1 1 1    5   30  -10 f  120.518   1.9756  4129.04  107.880  4314.15  250.145  4086.75  119.571  122.103   3.5472  118.933   1.7408 3.169090 3.951281 
1 1 1    5   31  -10 f  109.512   2.1231  3465.84  127.464  3459.34  157.162  3478.33  217.888  109.390   2.4876  109.635   3.4411 -0.2444000 4.246121 
1 1 1    5   32  -10 o  125.593   2.0976  4559.57  134.166  4569.17  261.088  4556.12  156.395  125.634   3.5983  125.553   2.1568 0.8058929E-01 4.195169 
1 1 1    5   33  -10 o  298.347   2.0442 25693.37  340.197 25948.85  560.255 25544.15  428.171  299.457   3.2394  297.237   2.4942 2.219818 4.088368 
1 1 1    5   34  -10 o   53.376   4.1050  825.516  126.544   0.0000   0.0000  825.516  126.544  ?   ?    53.376   4.1050      ?      ? 
1 1 1    5   35  -10 o  250.674   1.8088 18151.19  258.684 18300.74  398.850 18042.61  339.859  251.537   2.7455  249.811   2.3556 1.726501 3.617548 
1 1 1    5   36  -10 o   54.662   8.0318  876.070  253.562   0.0000   0.0000  876.070  253.562  ?   ?    54.662   8.0318      ?      ? 
1 1 1    5   37  -10 o  258.756   2.3797 19364.05  355.635   0.0000   0.0000 19364.05  355.635  ?   ?   258.756   2.3797      ?      ? 
1 1 1    5   38  -10 o   65.630   4.6119  1251.99  174.811   0.0000   0.0000  1251.99  174.811  ?   ?    65.630   4.6119      ?      ? 
1 1 1    5   39  -10 o  155.602   2.4849  7007.48  223.309   0.0000   0.0000  7007.48  223.309  ?   ?   155.602   2.4849      ?      ? 
1 1 1    5   40  -10 o  192.260   2.3414 10700.04  259.981   0.0000   0.0000 10700.04  259.981  ?   ?   192.260   2.3414      ?      ? 
1 1 1    5   41  -10 o  151.923   2.4876  6687.75  218.264   0.0000   0.0000  6687.75  218.264  ?   ?   151.923   2.4876      ?      ? 
1 1 1    5   42  -10 o  160.077   2.6095  7434.58  241.255   0.0000   0.0000  7434.58  241.255  ?   ?   160.077   2.6095      ?      ? 
1 1 1    5   43  -10 o   90.393   3.7093  2411.09  193.041  2350.11  261.480  2484.15  286.192   89.208   5.0752   91.578   5.4111 -2.370209 7.418691 
1 1 1    5   44  -10 o   91.214   3.3945  2465.99  178.707  2562.13  252.466  2369.44  252.994   93.046   4.6981   89.383   4.9008 3.662796 6.788985 
1 1 1    5   45  -10 o   46.322   5.5473  696.359  131.941  642.385  234.492  721.362  159.603   43.763   9.5463   48.882   5.6533 -5.119720 11.09469 
1 1 1    5   46  -10 o  107.231   2.4234  3396.00  134.139  3366.95  254.062  3407.23  157.947  106.432   4.1332  108.031   2.5315 -1.599747 4.846826 
1 1 1    5   47  -10 o   64.033   4.4942  1275.55  165.641  1142.20  229.557  1420.40  239.246   60.376   6.5832   67.690   6.1198 -7.314064 8.988354 
1 1 1    5   48  -10 o   25.610   6.7770  199.799  127.897  244.236  228.285  179.470  154.406   27.310   10.417   23.910   8.6716 3.400068 13.55396 
1 1 1    5   49  -10 o   56.841   4.4732  978.838  146.848   0.0000   0.0000  978.838  146.848  ?   ?    56.841   4.4732      ?      ? 
1 1 1    5   50  -10 o   28.418   9.7360  304.014  192.476   0.0000   0.0000  304.014  192.476  ?   ?    28.418   9.7360      ?      ? 
1 1 1    5    0  -11 o  348.261   2.0056 35103.37  378.226 34831.14  660.754 35236.04  461.271  347.238   3.2955  349.284   2.2868 -0.000000 0.000000 
1 1 1    5    1  -11 o  326.901   1.2621 30861.69  238.273 31184.13  337.036 30539.51  336.903  328.608   1.7759  325.193   1.7938 3.414276 2.524188 
1 1 1    5    2  -11 o  943.416   3.2432 257108.09  1766.96 257198.59  2483.90 257015.41  2514.11  943.586   4.5579  943.246   4.6150 0.3400879 6.486375 
1 1 1    5    3  -11 o  322.428   1.3870 29919.91  253.828 30569.55  399.630 29480.59  328.629  325.350   2.1268  319.506   1.7809 5.843842 2.773953 
1 1 1    5    4  -11 o  1427.53   4.9141 588933.81  4051.35 589302.88  5710.60 588559.81  5748.53  1427.98   6.9243  1427.07   6.9747 0.9088135 9.828134 
1 1 1    5    5  -11 o  1024.68   3.7284 302682.41  2094.90 305416.69  3584.73 301264.31  2581.61  1028.11   6.0371  1021.24   4.3770 6.871033 7.456864 
1 1 1    5    6  -11 o  203.986   1.5456 12009.73  170.802 12037.19  298.996 11996.43  208.098  204.156   2.5358  203.816   1.7678 0.3405762 3.091221 
1 1 1    5    7  -11 o  107.564   1.7177  3331.37   97.515  3316.79  116.177  3366.14  179.397  107.169   1.8770  107.959   2.8772 -0.7903137 3.435325 
1 1 1    5    8  -11 o  190.515   1.1081 10515.92  119.154 10317.64  188.899 10646.93  153.556  189.018   1.7304  192.012   1.3847 -2.994202 2.216214 
1 1 1    5    9  -11 o  304.843   1.1510 26816.48  200.349 26704.37  263.952 26968.87  307.733  304.092   1.5029  305.593   1.7436 -1.500397 2.301928 
1 1 1    5   10  -11 o  132.333   1.4438  5111.45   96.989  5172.21  113.208  4943.78  188.053  133.830   1.4647  130.837   2.4887 2.993042 2.887674 
1 1 1    5   11  -11 o  212.912   1.4855 13172.62  155.737 12936.09  317.288 13247.69  178.751  211.641   2.5958  214.183   1.4450 -2.542191 2.970901 
1 1 1    5   12  -11 o  354.780   1.8730 36205.18  333.698 36648.77  665.372 36056.11  385.712  356.215   3.2342  353.344   1.8901 2.870483 3.745996 
1 1 1    5   13  -11 o  241.550   1.5183 16766.33  182.853 17016.46  368.806 16684.81  210.554  242.733   2.6308  240.366   1.5167 2.366592 3.036680 
1 1 1    5   14  -11 o  436.804   2.2780 55102.82  574.669   0.0000   0.0000 55102.82  574.669  ?   ?   436.804   2.2780      ?      ? 
1 1 1    5   15  -11 o  521.761   3.1624 78656.88  952.848 77941.95  1353.97 79358.35  1341.18  519.409   4.5135  524.112   4.4308 -4.702576 6.324823 
1 1 1    5   16  -11 f  453.045   2.6132 58963.71  640.904 58364.14  778.625 60223.45  1128.63  449.519   2.9991  456.571   4.2801 -7.052155 5.226306 
1 1 1    5   17  -11 o  387.900   2.2058 43604.00  466.740 43027.74  802.761 43898.27  573.669  385.940   3.6015  389.859   2.5478 -3.918854 4.411577 
1 1 1    5   18  -11 o  277.082   1.6938 22140.74  256.452 22071.19  314.973 22277.51  441.717  276.445   1.9728  277.719   2.7539 -1.273468 3.387629 
1 1 1    5   19  -11 o  391.579   2.4354 44288.62  550.662 44682.89  788.246 43912.79  769.597  393.280   3.4704  389.879   3.4178 3.401337 4.870819 
1 1 1    5   20  -11 o  350.209   2.3178 35424.50  468.799   0.0000   0.0000 35424.50  468.799  ?   ?   350.209   2.3178      ?      ? 
1 1 1    5   21  -11 o  448.700   2.6282 58259.69  630.140 57957.30  1129.68 58396.28  759.230  447.799   4.3680  449.602   2.9239 -1.803223 5.256321 
1 1 1    5   22  -11 o  213.417   1.7881 13145.38  206.264 13123.70  250.741 13190.76  362.758  213.158   2.0368  213.676   2.9395 -0.5177612 3.576199 
1 1 1    5   23  -11 o  185.742   1.8163  9913.62  181.219 10111.55  323.756  9823.31  218.686  187.071   2.9966  184.413   2.0533 2.657608 3.632542 
1 1 1    5   24  -11 o  421.479   2.7353 51347.97  665.222 51169.43  920.281 51543.35  962.685  420.722   3.7874  422.237   3.9477 -1.514862 5.470698 
1 1 1    5   25  -11 o  378.362   2.2289 41251.92  456.521 41730.95  802.068 41022.36  555.234  379.926   3.6553  376.799   2.5514 3.126801 4.457716 
1 1 1    5   26  -11 o  223.635   1.6953 14297.54  185.914 14741.08  385.663 14163.27  212.198  225.836   2.9568  221.433   1.6593 4.402756 3.390586 
1 1 1    5   27  -11 o  288.554   2.2508 24076.29  374.935 24193.59  523.322 23952.58  537.435  289.281   3.1323  287.826   3.2330 1.455353 4.501541 
1 1 1    5   28  -11 o  434.419   2.7368 54639.63  686.266 53217.54  978.304 56017.38  962.933  428.832   3.9500  440.005   3.7892 -11.17340 5.473680 
1 1 1    5   29  -11 o   82.620   2.3963  1947.93  112.591  2123.15  178.280  1831.68  145.215   85.659   3.6037   79.581   3.1595 6.078171 4.792566 
1 1 1    5   30  -11 f   96.579   2.4578  2696.33  137.095   0.0000   0.0000  2696.33  137.095  ?   ?    96.579   2.4578      ?      ? 
1 1 1    5   31  -11 o  175.798   1.8251  8935.36  185.293  8823.23  261.415  9048.58  262.677  174.689   2.5911  176.907   2.5709 -2.218445 3.650127 
1 1 1    5   32  -11 o  128.964   1.7590  4834.06  126.602  4707.83  206.327  4910.28  160.334  127.586   2.8001  130.342   2.1299 -2.756111 3.518059 
1 1 1    5   33  -11 o  121.225   2.4916  4235.56  166.525  4192.40  206.231  4316.44  282.290  120.385   2.9662  122.065   4.0042 -1.680252 4.983164 
1 1 1    5   34  -11 o  192.957   2.1147 10761.79  235.662   0.0000   0.0000 10761.79  235.662  ?   ?   192.957   2.1147      ?      ? 
1 1 1    5   35  -11 o  108.504   3.0317  3406.82  189.986   0.0000   0.0000  3406.82  189.986  ?   ?   108.504   3.0317      ?      ? 
1 1 1    5   36  -11 o  109.207   3.0365  3461.18  191.094  3440.28  279.218  3479.60  262.089  108.879   4.4403  109.535   4.1430 -0.6554413 6.072933 
1 1 1    5   37  -11 o  137.942   2.6096  5518.91  205.141  5499.33  316.666  5533.07  269.286  137.687   3.9822  138.197   3.3739 -0.5098267 5.219280 
1 1 1    5   38  -11 o  151.158   2.4224  6624.26  211.330  6614.69  304.461  6633.15  293.568  151.042   3.4902  151.275   3.3601 -0.2330322 4.844779 
1 1 1    5   39  -11 o   93.449   2.7755  2496.17  130.090  2620.40  261.900  2455.48  149.889   94.830   4.7820   92.068   2.8189 2.761948 5.550976 
1 1 1    5   40  -11 o  183.186   2.1922  9739.86  231.718  9626.69  333.786  9845.13  321.932  182.138   3.1731  184.234   3.0256 -2.095581 4.384367 
1 1 1    5   41  -11 o  163.268   2.1302  7779.74  186.008  7633.91  331.542  7846.72  224.704  161.974   3.5441  164.562   2.3643 -2.588394 4.260348 
1 1 1    5   42  -11 o   63.166   3.7162  1163.63  116.672  1202.21  236.538  1151.22  134.123   63.520   6.4476   62.812   3.6972 0.7084045 7.432461 
1 1 1    5   43  -11 o   74.163   3.4030  1606.19  145.758   0.0000   0.0000  1606.19  145.758  ?   ?    74.163   3.4030      ?      ? 
1 1 1    5   44  -11 o   40.327   5.8512  489.581  136.276   0.0000   0.0000  489.581  136.276  ?   ?    40.327   5.8512      ?      ? 
1 1 1    5   45  -11 o   80.648   3.6745  1948.61  170.782  1838.33  232.390  2078.11  251.824   78.209   5.1449   83.088   5.2478 -4.878403 7.349062 
1 1 1    5   46  -11 o  ?   ?  -817.1254  164.658   0.0000   0.0000 -817.1254  164.658  ?   ?   ?   ?       ?      ? 
1 1 1    5   47  -11 o   51.671   5.8212  873.753  168.383  733.438  226.294  1047.81  252.040   46.423   8.7614   56.919   7.6670 -10.49588 11.64237 
1 1 1    5   48  -11 o   31.262   7.5279  328.974  134.294   0.0000   0.0000  328.974  134.294  ?   ?    31.262   7.5279      ?      ? 
1 1 1    5   49  -11 o  106.395   2.7965  3389.90  170.158  3482.22  260.712  3321.40  224.588  107.384   4.2037  105.406   3.6892 1.978104 5.592996 
1 1 1    5   50  -11 o   39.347   7.6886  537.321  168.455   0.0000   0.0000  537.321  168.455  ?   ?    39.347   7.6886      ?      ? 
1 1 1    5    0  -12 o   50.181   2.6540  707.133   71.306  651.723   85.658  832.197  128.689   47.187   3.1762   53.175   4.2529 -0.000000 0.000000 
1 1 1    5    1  -12 o  221.336   1.5463 14155.44  188.496 14173.01  233.782 14122.80  318.664  221.535   1.8272  221.137   2.4951 0.3978577 3.092590 
1 1 1    5    2  -12 o  311.244   1.2667 27975.68  227.704 28007.18  321.614 27944.00  322.432  311.420   1.7882  311.068   1.7947 0.3515320 2.533479 
1 1 1    5    3  -12 o  739.514   2.4655 158062.20  1041.08 157231.30  1594.93 158679.00  1374.22  737.809   3.7429  741.219   3.2101 -3.410339 4.930974 
1 1 1    5    4  -12 o  182.864   1.1251  9674.78  117.104  9548.63  181.135  9765.36  153.495  181.837   1.7248  183.891   1.4453 -2.053284 2.250269 
1 1 1    5    5  -12 o  983.713   3.5826 279162.69  1930.85 280794.69  3307.27 278318.81  2378.23  985.828   5.8088  981.597   4.1950 4.230652 7.165196 
1 1 1    5    6  -12 f  497.737   2.1140 71781.86  592.949 70483.83  944.455 72626.35  761.796  494.003   3.3103  501.471   2.6303 -7.468079 4.228073 
1 1 1    5    7  -12 o  508.134   1.8022 74568.76  528.897 74539.93  747.150 74597.72  748.799  508.036   2.5464  508.233   2.5510 -0.1967773 3.604443 
1 1 1    5    8  -12 o  261.875   1.2168 19807.72  179.960 19789.09  286.119 19819.91  231.480  261.772   1.8925  261.978   1.5299 -0.2063904 2.433554 
1 1 1    5    9  -12 f  300.256   1.7649 25965.87  288.519 26248.14  501.185 25825.96  352.850  301.468   2.8785  299.044   2.0430 2.424011 3.529848 
1 1 1    5   10  -12 o  431.514   2.2426 53870.07  485.410 53598.14  965.405 53962.08  561.556  430.765   3.8805  432.263   2.2494 -1.497681 4.485275 
1 1 1    5   11  -12 o  414.476   2.1879 49714.68  455.004 49419.73  904.321 49814.66  526.501  413.633   3.7855  415.319   2.1950 -1.685791 4.375831 
1 1 1    5   12  -12 f  479.078   3.0188 66289.57  835.255   0.0000   0.0000 66289.57  835.255  ?   ?   479.078   3.0188      ?      ? 
1 1 1    5   13  -12 o  453.251   2.7519 59333.78  720.370   0.0000   0.0000 59333.78  720.370  ?   ?   453.251   2.7519      ?      ? 
1 1 1    5   14  -12 o  481.904   2.6580 67171.48  691.026 66837.55  1217.18 67330.29  839.421  480.991   4.3816  482.817   3.0103 -1.825745 5.316053 
1 1 1    5   15  -12 o  115.311   2.1064  3767.66  129.522  3656.55  154.624  4029.00  237.136  112.519   2.3794  118.102   3.4766 -5.582138 4.212868 
1 1 1    5   16  -12 o  473.024   2.9798 64654.15  813.924 64013.62  1157.99 65279.59  1144.26  470.706   4.2596  475.343   4.1680 -4.636810 5.959599 
1 1 1    5   17  -12 o  544.903   3.3839 85808.16  1064.66 85553.82  1521.78 86052.02  1490.05  544.107   4.8426  545.698   4.7278 -1.591248 6.767824 
1 1 1    5   18  -12 o  152.488   1.7777  6831.88  125.296  6523.88  276.737  6911.30  140.524  150.279   3.1885  154.698   1.5728 -4.418732 3.555310 
1 1 1    5   19  -12 o  601.612   3.2321 104277.50  1076.31 105750.50  1806.72 103467.10  1340.05  604.824   5.1722  598.400   3.8774 6.424194 6.464232 
1 1 1    5   20  -12 o  416.190   2.3589 49907.25  540.416 50499.34  917.771 49593.00  668.623  418.042   3.8013  414.337   2.7941 3.704529 4.717700 
1 1 1    5   21  -12 o  333.059   1.6426 32011.37  315.195 31614.72  429.813 32472.86  463.610  330.832   2.2495  335.286   2.3942 -4.453888 3.285155 
1 1 1    5   22  -12 o  181.239   2.1161  9486.18  219.128  9459.63  289.294  9521.92  335.633  180.949   2.7682  181.529   3.2014 -0.5801697 4.232213 
1 1 1    5   23  -12 o  195.370   1.7898 11044.32  172.532 11059.96  197.998 10994.97  351.672  195.682   1.7520  195.059   3.1217 0.6231079 3.579688 
1 1 1    5   24  -12 o  280.316   2.2375 22654.00  360.262 22196.04  482.658 23230.12  541.352  277.136   3.0155  283.496   3.3063 -6.360199 4.474953 
1 1 1    5   25  -12 o  265.189   1.4571 20316.57  223.167 20342.05  314.886 20290.86  316.332  265.356   2.0547  265.022   2.0667 0.3347473 2.914243 
1 1 1    5   26  -12 o  191.780   1.9813 10733.69  190.363 10840.21  220.565 10422.66  376.892  193.707   1.9715  189.854   3.4373 3.852951 3.962538 
1 1 1    5   27  -12 o   97.498   3.1903  2761.16  179.020  2895.21  247.124  2613.14  259.687  100.009   4.2785   94.987   4.7337 5.022148 6.380679 
1 1 1    5   28  -12 o  423.249   2.3410 51684.28  546.234 51377.84  677.097 52255.40  924.374  421.559   2.7810  424.939   3.7665 -3.379547 4.681942 
1 1 1    5   29  -12 o  271.321   2.0797 21300.83  324.483 21157.34  480.989 21420.68  439.577  270.463   3.0792  272.179   2.7964 -1.715881 4.159492 
1 1 1    5   30  -12 o  170.453   1.9030  8420.74  170.609  8353.54  314.234  8448.84  203.160  169.923   3.2020  170.983   2.0573 -1.060043 3.805922 
1 1 1    5   31  -12 o  139.922   2.3187  5667.00  184.134  5674.54  239.287  5656.04  288.326  140.063   2.9581  139.781   3.5715 0.2820740 4.637436 
1 1 1    5   32  -12 o  144.208   2.2279  6011.17  185.554  6011.17  185.554   0.0000   0.0000  144.208   2.2279  ?   ?       ?      ? 
1 1 1    5   33  -12 o  261.045   1.8973 19633.01  270.280 19482.46  331.165 19933.32  467.740  259.614   2.2087  262.476   3.0855 -2.862366 3.794564 
1 1 1    5   34  -12 o  130.290   1.9143  4901.71  142.635  4852.40  188.516  4967.75  218.146  129.539   2.5198  131.042   2.8824 -1.502731 3.828505 
1 1 1    5   35  -12 o  114.522   2.8469  3796.37  183.198  3826.48  295.966  3777.67  233.252  114.839   4.4624  114.205   3.5363 0.6339798 5.693738 
1 1 1    5   36  -12 o  147.376   2.2513  6294.47  179.378  6273.71  314.700  6304.46  218.315  147.125   3.7036  147.626   2.5606 -0.5016022 4.502583 
1 1 1    5   37  -12 o   72.557   3.8675  1620.73  133.731  1379.71  273.993  1696.10  153.221   68.617   6.9139   76.497   3.4681 -7.879364 7.734928 
1 1 1    5   38  -12 o  109.804   3.2263  3510.81  204.433  3612.56  286.346  3405.03  291.961  111.449   4.4487  108.160   4.6738 3.288551 6.452555 
1 1 1    5   39  -12 o   67.648   3.9881  1312.45  145.788  1417.76  260.619  1264.48  175.880   69.430   6.4994   65.865   4.6235 3.564384 7.976204 
1 1 1    5   40  -12 o  115.485   3.0364  3893.52  201.220  3854.92  301.271  3924.61  270.366  114.901   4.5399  116.070   4.0332 -1.168793 6.072700 
1 1 1    5   41  -12 o   54.285   6.0572  886.607  187.842  849.826  246.120  937.923  290.711   53.103   8.0249   55.466   9.0751 -2.362469 12.11432 
1 1 1    5   42  -12 o   87.937   3.6106  2283.34  183.249  2300.37  255.072  2265.18  263.436   88.315   5.0008   87.560   5.2094 0.7559280 7.221204 
1 1 1    5   43  -12 o   15.382   5.3456 -345.3725  144.505 -369.4926  263.225 -334.9675  172.886   17.552   8.4911   13.213   6.4963 4.339079 10.69116 
1 1 1    5   44  -12 o   56.941   5.2402  1008.35  171.913  1034.96  237.403  979.022  249.275   57.896   7.0999   55.986   7.7092 1.909824 10.48048 
1 1 1    5   45  -12 o   19.685   8.2241   53.342  156.125   0.0000   0.0000   53.342  156.125  ?   ?    19.685   8.2241      ?      ? 
1 1 1    5   46  -12 o   38.731   7.3668  522.027  167.421  683.702  264.767  414.312  216.112   43.456   10.636   34.005   10.196 9.450905 14.73362 
1 1 1    5   47  -12 o   24.233   7.0932  100.520  175.838  267.479  235.036 -111.7156  264.995   28.202   10.614   20.263   9.4128 7.938272 14.18641 
1 1 1    5   48  -12 o   43.952   7.3635  718.919  184.316  792.927  265.900  650.469  255.722   46.433   10.195   41.471   10.628 4.962158 14.72698 
1 1 1    5   49  -12 o   14.848   7.1422 -196.3851  179.900   0.0000   0.0000 -196.3851  179.900  ?   ?    14.848   7.1422      ?      ? 
1 1 1    5    0  -13 o  107.069   2.0219  3330.69  124.262  3495.46  170.635  3144.65  181.315  109.919   2.6915  104.219   3.0180 -0.000000 0.000000 
1 1 1    5    1  -13 o  501.203   2.0031 72662.09  568.015 73114.10  734.225 71988.31  896.426  503.154   2.5266  499.252   3.1089 3.901764 4.006153 
1 1 1    5    2  -13 o  384.160   2.5590 42632.32  567.680 42020.34  805.814 43235.30  799.860  381.422   3.6580  386.899   3.5796 -5.476624 5.118041 
1 1 1    5    3  -13 o  612.792   2.6114 108467.10  924.163 107887.40  1312.19 109037.70  1301.80  611.166   3.7175  614.418   3.6686 -3.251465 5.222849 
1 1 1    5    4  -13 o  1042.36   4.0655 313196.81  2402.17 317689.41  3791.19 310183.31  3104.99  1048.54   6.2604  1036.18   5.1885 12.35815 8.130996 
1 1 1    5    5  -13 o  359.855   2.1027 37420.48  411.997 37338.88  713.284 37461.33  504.703  359.551   3.4349  360.158   2.4264 -0.6065674 4.205466 
1 1 1    5    6  -13 o  205.393   1.2481 12165.56  147.713 12425.41  217.386 11942.67  201.331  207.427   1.8146  203.359   1.7142 4.068710 2.496253 
1 1 1    5    7  -13 o  146.990   1.4887  6239.51  126.377   0.0000   0.0000  6239.51  126.377  ?   ?   146.990   1.4887      ?      ? 
1 1 1    5    8  -13 o  173.494   1.2721  8677.74  121.569  8643.50  150.603  8741.77  205.956  173.005   1.5073  173.983   2.0497 -0.9776917 2.544212 
1 1 1    5    9  -13 o  307.257   1.8728 27207.89  315.928 27451.01  539.166 27080.77  389.870  308.294   3.0281  306.220   2.2045 2.073853 3.745544 
1 1 1    5   10  -13 o   98.737   1.5013  2814.75   85.597  2737.18  120.080  2894.88  122.048   97.354   2.1356  100.119   2.1107 -2.765396 3.002672 
1 1 1    5   11  -13 f  594.244   3.6220 102000.60  1243.06   0.0000   0.0000 102000.60  1243.06  ?   ?   594.244   3.6220      ?      ? 
1 1 1    5   12  -13 o  208.868   1.8532 12595.28  223.187 12677.55  325.595 12522.35  306.534  209.510   2.6908  208.225   2.5489 1.284683 3.706443 
1 1 1    5   13  -13 o  435.714   2.4588 54600.40  571.805 55459.58  1032.60 54220.43  686.704  438.151   4.0806  433.276   2.7442 4.875214 4.917522 
1 1 1    5   14  -13 o  353.912   2.1052 36131.20  398.802 36302.84  714.523 36053.54  480.630  354.506   3.4899  353.317   2.3554 1.188782 4.210330 
1 1 1    5   15  -13 o  269.172   2.1033 20890.21  325.478 21310.18  486.224 20549.23  438.116  271.616   3.0995  266.729   2.8440 4.887726 4.206609 
1 1 1    5   16  -13 o  246.374   2.0599 17537.05  292.336 17479.91  428.930 17586.62  399.490  245.996   3.0191  246.751   2.8032 -0.7546844 4.119826 
1 1 1    5   17  -13 o  232.158   1.2583 15578.94  167.488 15676.89  224.121 15455.05  252.062  232.986   1.6656  231.329   1.8867 1.657684 2.516671 
1 1 1    5   18  -13 o  130.492   2.1732  4785.24  140.849  5182.50  290.138  4662.75  161.107  133.926   3.7510  127.057   2.1955 6.869003 4.346313 
1 1 1    5   19  -13 f  560.985   3.5197 91032.72  1137.85 91755.24  1561.74 90215.23  1661.20  563.382   4.7998  558.588   5.1493 4.793518 7.039366 
1 1 1    5   20  -13 o   91.385   2.1963  2412.22  115.920   0.0000   0.0000  2412.22  115.920  ?   ?    91.385   2.1963      ?      ? 
1 1 1    5   21  -13 o  289.386   2.1353 24385.38  305.342 24564.02  351.190 23832.09  618.075  291.617   2.0852  287.154   3.7268 4.463043 4.270518 
1 1 1    5   22  -13 o   67.052   3.6267  1256.14  119.312  1385.98  251.237  1218.34  135.575   69.180   6.2881   64.923   3.6157 4.256912 7.253474 
1 1 1    5   23  -13 o  231.857   2.0854 15524.57  277.620 15439.86  372.501 15630.42  416.383  231.155   2.7902  232.559   3.1001 -1.404434 4.170839 
1 1 1    5   24  -13 o  123.734   2.6796  4429.77  191.294  4666.84  270.895  4193.96  270.169  127.042   3.6920  120.426   3.8845 6.616821 5.359121 
1 1 1    5   25  -13 o  432.968   3.1684 54149.02  766.193 53842.64  966.175 54668.20  1257.70  431.442   3.8775  434.494   5.0120 -3.051819 6.336766 
1 1 1    5   26  -13 o  158.412   1.4168  7248.11  125.904  7259.16  204.007  7241.31  160.012  158.499   2.2286  158.324   1.7499 0.1757202 2.833530 
1 1 1    5   27  -13 o   92.380   2.1527  2467.43  114.836  2481.47  164.143  2453.98  160.717   92.636   3.0680   92.123   3.0207 0.5124969 4.305497 
1 1 1    5   28  -13 o  181.869   1.6680  9541.39  170.392  9480.17  216.707  9640.53  275.772  181.125   2.0716  182.612   2.6148 -1.487473 3.335967 
1 1 1    5   29  -13 f  207.820   1.9025 12562.63  217.518 12738.39  270.348 12239.99  366.291  209.936   2.2297  205.705   3.0832 4.231094 3.804936 
1 1 1    5   30  -13 o  288.305   1.9047 24019.79  306.321 24097.43  503.613 23974.20  385.918  288.624   3.0212  287.987   2.3203 0.6368408 3.809364 
1 1 1    5   31  -13 o   83.838   2.4256  2031.79  117.178  2232.21  168.887  1845.75  162.715   87.825   3.3296   79.851   3.5283 7.974243 4.851289 
1 1 1    5   32  -13 o  167.028   1.9290  7996.31  174.564  8275.35  307.854  7864.08  211.928  169.115   3.1519  164.941   2.2247 4.173416 3.857984 
1 1 1    5   33  -13 o  122.220   1.8935  4325.60  132.767  4369.03  178.265  4271.51  198.955  122.921   2.5111  121.519   2.8348 1.401894 3.787041 
1 1 1    5   34  -13 o  112.706   2.6141  3687.17  153.771  3697.21  182.128  3662.25  286.954  113.050   2.7895  112.362   4.4219 0.6876297 5.228204 
1 1 1    5   35  -13 o  255.860   2.5167 18934.89  371.898   0.0000   0.0000 18934.89  371.898  ?   ?   255.860   2.5167      ?      ? 
1 1 1    5   36  -13 o  111.069   2.2917  3567.81  147.003   0.0000   0.0000  3567.81  147.003  ?   ?   111.069   2.2917      ?      ? 
1 1 1    5   37  -13 o   61.714   4.9686  1108.98  177.091   0.0000   0.0000  1108.98  177.091  ?   ?    61.714   4.9686      ?      ? 
1 1 1    5   38  -13 o   27.322   8.5582  220.770  150.153   0.0000   0.0000  220.770  150.153  ?   ?    27.322   8.5582      ?      ? 
1 1 1    5   39  -13 o   73.218   3.4173  1566.21  144.344  1473.12  203.117  1661.19  205.166   70.999   4.9535   75.438   4.7090 -4.439163 6.834617 
1 1 1    5   40  -13 o   12.912   6.2871 -261.3810  150.602 -261.3810  150.602   0.0000   0.0000   12.912   6.2871  ?   ?       ?      ? 
1 1 1    5   41  -13 o   84.889   3.9133  2105.22  191.857   0.0000   0.0000  2105.22  191.857  ?   ?    84.889   3.9133      ?      ? 
1 1 1    5   42  -13 o   30.081   8.2899  287.634  148.641   0.0000   0.0000  287.634  148.641  ?   ?    30.081   8.2899      ?      ? 
1 1 1    5   43  -13 o   29.165   5.9564  264.610   96.939   0.0000   0.0000  264.610   96.939  ?   ?    29.165   5.9564      ?      ? 
1 1 1    5   44  -13 o   49.728   4.7218  698.111  113.843  889.146  249.154  647.704  127.984   52.887   8.1570   46.568   4.7587 6.319645 9.443588 
1 1 1    5   45  -13 o   46.850   3.6445  648.904   98.612   0.0000   0.0000  648.904   98.612  ?   ?    46.850   3.6445      ?      ? 
1 1 1    5   46  -13 o   14.516   6.3161  -2.1429   98.967   0.0000   0.0000  -2.1429   98.967  ?   ?    14.516   6.3161      ?      ? 
1 1 1    5   47  -13 o   38.529   6.6885  574.542  149.299  374.131  273.992  659.178  178.056   31.548   11.535   45.509   6.7745 -13.96045 13.37694 
1 1 1    5   48  -13 o   54.967   5.2564  1067.87  135.931  832.238  254.377  1162.05  160.817   48.063   9.5007   61.872   4.5004 -13.80844 10.51271 
1 1 1    5   49  -13 o   56.391   5.0276  986.771  163.743   0.0000   0.0000  986.771  163.743  ?   ?    56.391   5.0276      ?      ? 
1 1 1    5    0  -14 o  816.271   4.7143 192366.09  2221.20 197913.91  3198.75 187200.09  3086.73  827.628   6.6930  804.914   6.6410 -0.000000 0.000000 
1 1 1    5    1  -14 o  646.414   3.2165 120584.10  1138.82 121090.30  1950.94 120322.50  1402.57  647.405   5.2177  645.422   3.7627 1.983826 6.432924 
1 1 1    5    2  -14 o  538.901   2.8965 83504.72  854.305 82702.48  1049.37 85081.42  1471.14  535.105   3.3955  542.697   4.6937 -7.592712 5.793092 
1 1 1    5    3  -14 o  142.113   1.6838  5797.62  128.946  5929.60  229.158  5736.47  155.983  143.287   2.7691  140.939   1.9163 2.347900 3.367536 
1 1 1    5    4  -14 o  278.693   1.8391 22490.43  277.720 22260.96  484.448 22602.76  338.946  277.625   3.0214  279.760   2.0978 -2.134857 3.678216 
1 1 1    5    5  -14 o  374.688   2.2188 40756.49  450.570 39942.44  783.621 41158.53  550.708  371.867   3.6487  377.509   2.5259 -5.642029 4.437643 
1 1 1    5    6  -14 f  222.209   1.2480 14255.32  158.958 14293.33  240.119 14225.67  212.084  222.472   1.8688  221.946   1.6545 0.5256195 2.495984 
1 1 1    5    7  -14 o  511.064   2.3651 75391.84  695.964 74843.16  946.259 76038.38  1027.20  509.044   3.2186  513.084   3.4664 -4.040405 4.730281 
1 1 1    5    8  -14 o  253.164   2.0322 18511.18  297.131 18480.37  420.868 18541.80  419.549  252.954   2.8808  253.374   2.8670 -0.4202423 4.064385 
1 1 1    5    9  -14 o  225.248   1.9861 14594.51  256.462 15125.06  389.931 14190.04  340.466  228.839   2.9503  221.657   2.6595 7.182312 3.972108 
1 1 1    5   10  -14 o  454.505   2.6179 59958.13  641.194 58870.97  1127.94 60477.18  779.369  451.421   4.3263  457.589   2.9490 -6.167938 5.235840 
1 1 1    5   11  -14 o  391.206   2.5049 44200.82  565.960   0.0000   0.0000 44200.82  565.960  ?   ?   391.206   2.5049      ?      ? 
1 1 1    5   12  -14 o  188.967   1.8298 10312.54  199.700   0.0000   0.0000 10312.54  199.700  ?   ?   188.967   1.8298      ?      ? 
1 1 1    5   13  -14 o  727.461   4.4298 152901.59  1861.12   0.0000   0.0000 152901.59  1861.12  ?   ?   727.461   4.4298      ?      ? 
1 1 1    5   14  -14 o  345.833   2.3759 34526.31  473.275 34854.25  696.730 34245.34  644.895  347.353   3.4730  344.313   3.2430 3.039490 4.751754 
1 1 1    5   15  -14 o  273.716   1.9935 21500.70  279.891 21338.24  327.039 21945.47  541.113  271.813   2.0833  275.619   3.3993 -3.806702 3.986902 
1 1 1    5   16  -14 o  275.735   1.5029 21956.34  239.273 21841.16  334.385 22077.21  342.529  274.994   2.1054  276.475   2.1451 -1.481110 3.005728 
1 1 1    5   17  -14 o  313.082   1.5314 28305.31  266.683 28289.00  334.737 28333.63  441.249  312.967   1.8519  313.197   2.4394 -0.2298279 3.062703 
1 1 1    5   18  -14 o  279.079   1.8286 22354.85  273.840 22885.20  490.641 22114.89  330.025  281.451   3.0184  276.707   2.0651 4.744690 3.657225 
1 1 1    5   19  -14 o  317.885   2.3077 29189.26  423.684 29189.26  423.684   0.0000   0.0000  317.885   2.3077  ?   ?       ?      ? 
1 1 1    5   20  -14 f  100.411   1.6532  2853.71   88.339  2765.85  105.261  3062.97  162.456   97.856   1.8625  102.965   2.7319 -5.108871 3.306357 
1 1 1    5   21  -14 o  217.023   1.5570 13560.76  179.337 13719.52  326.844 13492.37  214.512  217.914   2.5970  216.132   1.7185 1.781723 3.114087 
1 1 1    5   22  -14 o  100.904   1.5043  2940.62   87.627  3065.99  124.905  2819.12  122.964  103.021   2.0993   98.786   2.1552 4.235603 3.008656 
1 1 1    5   23  -14 o  376.713   2.3542 41112.31  496.504 40662.67  806.165 41387.11  630.211  375.000   3.7223  378.427   2.8835 -3.426300 4.708481 
1 1 1    5   24  -14 o  419.887   2.9539 50793.07  703.075 49907.88  907.198 52124.29  1112.52  415.399   3.7814  424.375   4.5391 -8.976654 5.907841 
1 1 1    5   25  -14 o   53.857   4.0802  839.376  126.914   0.0000   0.0000  839.376  126.914  ?   ?    53.857   4.0802      ?      ? 
1 1 1    5   26  -14 o  112.811   2.3551  3656.75  134.213  3730.55  265.646  3631.46  155.522  113.527   4.0515  112.094   2.4023 1.432678 4.710188 
1 1 1    5   27  -14 o  267.339   1.4690 20660.02  216.402 20676.60  268.531 20629.31  365.493  267.520   1.7380  267.159   2.3688 0.3616333 2.937990 
1 1 1    5   28  -14 o  371.330   2.0167 39972.68  386.872 40095.04  455.215 39654.46  734.103  372.475   2.1161  370.185   3.4336 2.289917 4.033319 
1 1 1    5   29  -14 o  165.843   1.7840  7927.60  168.337  7814.20  219.198  8090.63  262.827  164.417   2.3084  167.268   2.7206 -2.850494 3.567970 
1 1 1    5   30  -14 o   73.571   3.8359  1709.70  126.137  1802.82  141.779  1356.14  276.256   78.939   3.1098   68.204   7.0133 10.73528 7.671814 
1 1 1    5   31  -14 o   76.738   2.7196  1704.62  120.130  1716.20  177.575  1694.85  163.121   76.969   3.9946   76.507   3.6917 0.4624634 5.439287 
1 1 1    5   32  -14 o  127.207   2.5166  4646.69  168.267  4593.32  199.559  4777.97  312.993  126.022   2.7418  128.392   4.2209 -2.370590 5.033293 
1 1 1    5   33  -14 o  109.641   2.3925  3475.81  151.499   0.0000   0.0000  3475.81  151.499  ?   ?   109.641   2.3925      ?      ? 
1 1 1    5   34  -14 o   20.843   8.2829   68.328  149.090   68.328  149.090   0.0000   0.0000   20.843   8.2829  ?   ?       ?      ? 
1 1 1    5   35  -14 o   96.929   2.7433  2718.75  153.573   0.0000   0.0000  2718.75  153.573  ?   ?    96.929   2.7433      ?      ? 
1 1 1    5   36  -14 o  107.172   3.4113  3329.12  211.148   0.0000   0.0000  3329.12  211.148  ?   ?   107.172   3.4113      ?      ? 
1 1 1    5   37  -14 o   44.131   6.5449  606.445  145.185  555.266  286.277  624.166  168.455   42.115   11.463   46.147   6.3205 -4.032429 13.08988 
1 1 1    5   38  -14 o   26.772   6.7621  196.562  120.941   52.263  277.234  230.478  134.405   25.994   10.916   27.550   7.9842 -1.556192 13.52423 
1 1 1    5   39  -14 o   23.622   7.1910   5.7855  176.251 -19.8848  271.159   24.565  231.927   23.975   10.443   23.269   9.8885 0.7056046 14.38198 
1 1 1    5   40  -14 o   40.117   7.8870  521.383  190.178  463.821  270.843  577.366  267.102   37.995   11.419   42.239   10.882 -4.243614 15.77403 
1 1 1    5   41  -14 o   79.761   3.6080  1832.95  159.294  2038.08  272.391  1726.33  196.373   82.855   5.6923   76.668   4.4349 6.186943 7.216017 
1 1 1    5   42  -14 o   79.116   4.1564  1885.20  188.439  2138.43  265.820  1629.39  267.171   84.694   5.4344   73.538   6.2906 11.15529 8.312881 
1 1 1    5   43  -14 o   84.319   3.5177  2148.20  165.615  2014.96  265.844  2232.70  211.718   81.767   5.6294   86.871   4.2199 -5.104218 7.035461 
1 1 1    5   44  -14 o   10.592   5.2118 -220.1048  112.006   0.0000   0.0000 -220.1048  112.006  ?   ?    10.592   5.2118      ?      ? 
1 1 1    5   45  -14 o   43.686   5.5804  583.935  140.796   0.0000   0.0000  583.935  140.796  ?   ?    43.686   5.5804      ?      ? 
1 1 1    5   46  -14 o   48.219   3.6768  690.559  102.393   0.0000   0.0000  690.559  102.393  ?   ?    48.219   3.6768      ?      ? 
1 1 1    5   47  -14 o   28.029   6.8599  276.379  128.070  243.102  256.281  287.456  147.855   27.313   10.858   28.744   8.3869 -1.431061 13.71987 
1 1 1    5   48  -14 o   34.568   6.0524  470.551  103.826  313.442  260.220  500.298  113.230   28.784   11.087   40.352   4.8586 -11.56726 12.10480 
1 1 1    5    0  -15 o  382.954   2.5466 42358.74  562.966 42665.09  806.730 42067.93  785.985  384.302   3.6354  381.605   3.5670 -0.000000 0.000000 
1 1 1    5    1  -15 o  228.029   1.6390 14928.74  190.852 15205.54  371.422 14829.44  222.468  229.451   2.8028  226.607   1.6998 2.844574 3.277978 
1 1 1    5    2  -15 o  608.459   2.4397 106774.90  846.709 107941.80  1307.65 105932.50  1111.07  611.307   3.7038  605.612   3.1766 5.694946 4.879447 
1 1 1    5    3  -15 o  310.702   2.2851 27876.53  409.995 28270.32  585.394 27497.39  574.403  312.855   3.2398  308.549   3.2234 4.306152 4.570166 
1 1 1    5    4  -15 o  684.130   4.1128 136281.50  1432.84 137460.91  1674.05 133050.70  2770.78  689.818   4.2019  678.441   7.0714 11.37708 8.225622 
1 1 1    5    5  -15 o  618.920   3.6402 110658.20  1299.10 111032.70  1893.27 110324.90  1785.84  619.901   5.2882  617.940   5.0039 1.960144 7.280378 
1 1 1    5    6  -15 o  405.418   2.4943 47540.57  582.871 46298.93  844.836 48668.44  805.199  400.356   3.6538  410.480   3.3965 -10.12491 4.988579 
1 1 1    5    7  -15 o  625.024   3.6567 112951.00  1318.19 111337.60  1906.87 114427.70  1824.29  620.736   5.3190  629.312   5.0193 -8.576660 7.313335 
1 1 1    5    8  -15 o  597.966   3.5150 103357.30  1212.24 102442.40  1757.00 104188.40  1674.70  595.430   5.1092  600.502   4.8288 -5.071899 7.030041 
1 1 1    5    9  -15 o   96.655   2.6041  2708.80  126.350  2678.17  250.582  2719.25  146.312   96.279   4.5064   97.031   2.6109 -0.7517090 5.208101 
1 1 1    5   10  -15 o  254.896   2.0067 18670.52  262.421 18559.34  306.775 18973.79  506.669  253.501   2.0953  256.291   3.4230 -2.790436 4.013393 
1 1 1    5   11  -15 o  291.883   1.9444 24528.05  314.298 24884.97  527.098 24331.13  391.515  293.516   3.1094  290.249   2.3356 3.267609 3.888843 
1 1 1    5   12  -15 o  242.650   2.0144 17116.06  252.772 17254.50  297.967 16760.71  477.399  244.424   2.1108  240.875   3.4317 3.549347 4.028844 
1 1 1    5   13  -15 o  259.704   2.1360 19473.36  320.100 19689.39  463.654 19276.62  442.469  261.078   3.0749  258.330   2.9657 2.748352 4.272060 
1 1 1    5   14  -15 o  899.991   4.0860 234146.91  2111.92 233827.70  2839.47 234542.00  3159.50  899.362   5.4666  900.620   6.0742 -1.257935 8.171905 
1 1 1    5   15  -15 o  314.748   1.5733 28622.14  276.386 28647.68  348.698 28578.99  453.307  314.945   1.9170  314.551   2.4953 0.3940430 3.146637 
1 1 1    5   16  -15 o  146.327   1.9894  6156.16  139.148  6237.27  298.029  6133.55  157.352  146.926   3.5122  145.728   1.8696 1.197479 3.978777 
1 1 1    5   17  -15 o  190.131   1.4656 10405.18  148.189 10349.15  177.516 10534.00  269.155  189.298   1.6237  190.965   2.4404 -1.666809 2.931222 
1 1 1    5   18  -15 o  371.518   2.4157 39856.05  466.303 39818.79  550.078 39951.23  879.034  371.265   2.5654  371.772   4.0940 -0.5074768 4.831332 
1 1 1    5   19  -15 f  369.272   1.8149 39372.88  386.361 39746.92  564.782 39043.86  529.698  370.915   2.6365  367.629   2.4948 3.286285 3.629719 
1 1 1    5   20  -15 o  101.117   1.7991  2987.32  102.279  2800.29  161.799  3111.80  131.997   98.445   2.8458  103.788   2.2021 -5.343826 3.598251 
1 1 1    5   21  -15 f   87.684   1.7045  2206.03   85.592  2334.47  131.246  2110.99  112.905   89.887   2.5281   85.481   2.2870 4.406517 3.409062 
1 1 1    5   22  -15 o  270.024   1.2220 21061.50  190.536 21072.12  266.883 21050.46  272.109  270.094   1.7109  269.953   1.7453 0.1404114 2.444010 
1 1 1    5   23  -15 o  157.679   1.6812  7270.18  131.870  7355.59  152.325  7014.67  263.458  159.575   1.6528  155.783   2.9282 3.792389 3.362489 
1 1 1    5   24  -15 o  433.525   2.5149 54447.18  613.436 53968.20  983.583 54752.11  784.762  431.883   3.9433  435.167   3.1225 -3.284149 5.029847 
1 1 1    5   25  -15 o   72.344   2.5623  1554.91  103.481  1327.77  161.640  1712.64  134.704   67.726   4.1324   76.961   3.0306 -9.235046 5.124585 
1 1 1    5   26  -15 o  126.082   2.2185  4553.97  141.813  4689.21  279.769  4507.21  164.514  127.283   3.8058  124.881   2.2810 2.402290 4.436980 
1 1 1    5   27  -15 o  251.612   1.5941 18279.57  231.166 18024.90  315.927 18573.05  339.144  249.734   2.1904  253.490   2.3165 -3.756332 3.188131 
1 1 1    5   28  -15 o  120.619   2.1018  4211.94  145.863  4252.79  198.371  4163.85  215.221  121.265   2.8324  119.972   3.1061 1.292854 4.203647 
1 1 1    5   29  -15 o  200.250   1.6127 11656.63  171.329 11758.29  205.600 11425.64  309.927  201.727   1.7647  198.773   2.6997 2.954193 3.225317 
1 1 1    5   30  -15 o  126.910   2.1165  4646.21  152.224  4592.78  196.589  4726.22  240.562  126.022   2.7010  127.798   3.2593 -1.775711 4.232996 
1 1 1    5   31  -15 o   56.927   4.3376  871.347  130.135  780.253  151.975  1121.73  251.961   51.843   5.0757   62.011   7.0353 -10.16744 8.675122 
1 1 1    5   32  -15 o  110.986   2.2706  3549.79  143.454  3477.35  186.777  3653.98  224.012  109.631   2.9499  112.341   3.4526 -2.710075 4.541182 
1 1 1    5   33  -15 o  124.351   2.3950  4457.80  152.982  4521.14  294.528  4434.40  179.026  124.876   4.0838  123.826   2.5033 1.049660 4.789977 
1 1 1    5   34  -15 o  129.550   1.7930  4849.95  133.969  4944.44  195.420  4766.17  184.015  130.735   2.5882  128.366   2.4821 2.369202 3.585994 
1 1 1    5   35  -15 o  141.574   1.9268  5732.10  141.564  5958.06  269.711  5646.18  166.315  143.408   3.2564  139.739   2.0608 3.668839 3.853688 
1 1 1    5   36  -15 o  110.775   2.8820  3546.45  160.044  3600.79  319.862  3528.30  184.846  111.178   4.9815  110.372   2.8998 0.8060837 5.764024 
1 1 1    5   37  -15 o   96.017   3.1772  2673.60  176.191   0.0000   0.0000  2673.60  176.191  ?   ?    96.017   3.1772      ?      ? 
1 1 1    5   38  -15 o   84.544   3.5369  2077.33  172.698   0.0000   0.0000  2077.33  172.698  ?   ?    84.544   3.5369      ?      ? 
1 1 1    5   39  -15 o   51.829   5.7516  808.416  172.145  801.401  244.514  815.309  242.398   51.587   8.2069   52.070   8.0603 -0.4835854 11.50316 
1 1 1    5   40  -15 o   59.645   5.7054  1083.20  195.835  992.966  278.945  1170.90  275.003   57.041   8.4673   62.250   7.6492 -5.208881 11.41074 
1 1 1    5   41  -15 o   70.360   3.7644  1482.10  147.024  1517.15  185.518  1422.91  241.078   71.771   4.4756   68.949   6.0541 2.822205 7.528812 
1 1 1    5   42  -15 o   42.042   5.1704  527.581  125.545   0.0000   0.0000  527.581  125.545  ?   ?    42.042   5.1704      ?      ? 
1 1 1    5   43  -15 o   25.984   6.9917   76.692  149.052  417.315  267.023 -77.4791  179.645   34.426   11.468   17.541   8.0014 16.88425 13.98346 
1 1 1    5   44  -15 o   26.810   6.8706  178.484  108.725  355.172  266.815  143.303  119.059   31.781   11.417   21.838   7.6475 9.943201 13.74127 
1 1 1    5   45  -15 o   47.517   5.8703  707.667  145.492  871.620  269.160  639.989  172.933   49.927   9.6839   45.107   6.6381 4.819714 11.74065 
1 1 1    5   46  -15 o   60.139   4.8763  1099.81  169.367   0.0000   0.0000  1099.81  169.367  ?   ?    60.139   4.8763      ?      ? 
1 1 1    5   47  -15 o   70.770   3.7190  1496.84  152.005   0.0000   0.0000  1496.84  152.005  ?   ?    70.770   3.7190      ?      ? 
1 1 1    5   48  -15 o   22.121   6.8512 -13.7296  141.952  339.354  301.160 -114.5796  160.952   29.112   11.703   15.130   7.1266 13.98230 13.70232 
1 1 1    5    0  -16 o  216.137   2.0783 13514.50  258.991 13098.70  372.119 13905.15  360.685  212.903   3.0277  219.372   2.8479 -0.000000 0.000000 
1 1 1    5    1  -16 o  167.189   2.1597  8063.13  208.001  8212.83  306.542  7935.40  283.163  168.624   3.1476  165.754   2.9579 2.870468 4.319366 
1 1 1    5    2  -16 f  189.044   2.1208 10332.24  230.474 10214.09  341.824 10430.72  312.081  188.050   3.1473  190.038   2.8434 -1.987701 4.241563 
1 1 1    5    3  -16 f  536.042   3.7606 82695.02  1149.55 85098.09  1783.88 80988.40  1503.31  542.650   5.6919  529.435   4.9165 13.21509 7.521278 
1 1 1    5    4  -16 o  331.812   2.5139 31853.15  478.379 31366.65  717.519 32242.44  641.847  329.521   3.7702  334.102   3.3263 -4.580994 5.027818 
1 1 1    5    5  -16 o  285.873   2.1336 23625.80  351.948 22887.33  503.210 24332.94  492.423  281.494   3.0952  290.251   2.9375 -8.757141 4.267256 
1 1 1    5    6  -16 o  181.138   1.8320  9468.44  191.225  8620.77  266.171 10372.66  274.906  172.765   2.6676  189.510   2.5117 -16.74507 3.663964 
1 1 1    5    7  -16 f  279.034   2.1140 22364.46  303.453 22216.77  355.252 22763.05  583.606  277.354   2.2178  280.714   3.5997 -3.359680 4.228072 
1 1 1    5    8  -16 o  390.341   1.7377 44028.81  387.034 43860.74  594.749 44152.27  509.731  389.690   2.6426  390.993   2.2573 -1.303070 3.475432 
1 1 1    5    9  -16 o  238.489   1.8491 16467.90  241.879 16299.10  411.665 16556.90  298.919  237.546   3.0006  239.432   2.1617 -1.886261 3.698171 
1 1 1    5   10  -16 o  141.305   1.3453  5760.67  109.419  5836.47  162.028  5697.12  148.358  142.158   1.9735  140.452   1.8289 1.706055 2.690655 
1 1 1    5   11  -16 o  209.769   1.3847 12708.54  163.120 12708.42  263.479 12708.62  207.713  209.765   2.1748  209.773   1.7145 -0.7995605E-02 2.769352 
1 1 1    5   12  -16 o  177.529   1.8099  9132.91  180.607  9234.59  230.982  8972.93  289.718  178.810   2.2367  176.249   2.8462 2.561340 3.619873 
1 1 1    5   13  -16 o  412.690   1.6392 49192.56  390.507 49201.47  543.606 49183.06  561.342  412.730   2.2805  412.650   2.3554 0.8010864E-01 3.278498 
1 1 1    5   14  -16 o  142.480   1.7237  5865.85  140.640  5847.93  213.034  5879.68  187.242  142.285   2.5924  142.676   2.2723 -0.3906403 3.447320 
1 1 1    5   15  -16 o  400.842   2.7123 46637.45  552.337 46866.49  643.849 45999.14  1074.85  402.784   2.7678  398.901   4.6655 3.882568 5.424698 
1 1 1    5   16  -16 f  241.704   1.5048 16864.94  209.959 17172.21  302.545 16579.47  291.611  243.826   2.1484  239.582   2.1075 4.243973 3.009533 
1 1 1    5   17  -16 o  446.602   2.4843 57724.57  557.618 57468.93  1105.79 57811.74  645.731  445.854   4.2943  447.349   2.4993 -1.495575 4.968680 
1 1 1    5   18  -16 o  258.465   1.6634 19265.22  202.311 19356.02  441.835 19241.14  227.569  258.821   2.9558  258.109   1.5266 0.7119141 3.326758 
1 1 1    5   19  -16 o  499.418   2.1386 72106.98  607.789 71897.66  943.106 72255.66  794.867  498.767   3.2740  500.069   2.7522 -1.301575 4.277102 
1 1 1    5   20  -16 f  325.960   1.1908 30689.20  224.176 30585.32  316.281 30794.08  317.792  325.405   1.6829  326.514   1.6852 -1.108551 2.381631 
1 1 1    5   21  -16 o  190.337   1.2674 10455.92  139.245 10199.24  193.061 10734.23  201.026  187.905   1.7790  192.769   1.8056 -4.864212 2.534776 
1 1 1    5   22  -16 o  184.513   1.2131  9817.93  127.724  9728.74  167.762  9940.93  196.999  183.522   1.5828  185.504   1.8388 -1.981430 2.426154 
1 1 1    5   23  -16 o  247.748   1.7189 17727.76  238.192 17778.66  389.021 17697.24  301.267  248.009   2.7159  247.487   2.1077 0.5221252 3.437853 
1 1 1    5   24  -16 o   77.298   3.1316  1666.34  115.892  1845.89  252.874  1618.61  130.391   79.779   5.4882   74.818   3.0176 4.960136 6.263106 
1 1 1    5   25  -16 o   96.575   2.8530  2766.02  148.361  2894.50  182.134  2512.69  255.765  100.038   3.1524   93.112   4.7561 6.925514 5.705964 
1 1 1    5   26  -16 o   68.827   3.0054  1383.65  118.450  1246.76  173.289  1503.69  162.279   65.588   4.5747   72.065   3.8990 -6.477570 6.010819 
1 1 1    5   27  -16 o  195.028   2.1929 10993.50  247.005   0.0000   0.0000 10993.50  247.005  ?   ?   195.028   2.1929      ?      ? 
1 1 1    5   28  -16 o  158.122   2.0533  7225.90  187.517  7225.90  187.517   0.0000   0.0000  158.122   2.0533  ?   ?       ?      ? 
1 1 1    5   29  -16 o   58.926   5.5598  1020.76  187.867  953.886  276.928  1077.78  255.707   57.077   8.4007   60.774   7.2851 -3.697170 11.11959 
1 1 1    5   30  -16 o  155.490   1.7433  6982.31  156.057  7088.46  230.857  6892.98  211.773  156.570   2.5530  154.410   2.3747 2.160065 3.486680 
1 1 1    5   31  -16 o  131.312   2.3929  4906.60  164.914  5195.17  309.674  4792.36  194.841  133.896   4.0045  128.728   2.6207 5.167999 4.785856 
1 1 1    5   32  -16 o  245.535   2.3353 17431.62  331.160   0.0000   0.0000 17431.62  331.160  ?   ?   245.535   2.3353      ?      ? 
1 1 1    5   33  -16 o  194.652   2.2040 11034.35  228.325 11139.34  274.754 10800.01  410.473  196.254   2.4240  193.049   3.6816 3.205292 4.407925 
1 1 1    5   34  -16 o  190.448   1.8587 10498.67  202.387 10519.66  268.066 10470.85  308.640  190.697   2.4340  190.199   2.8097 0.4981842 3.717324 
1 1 1    5   35  -16 o  112.001   2.6094  3556.86  140.336  3788.80  302.068  3493.02  158.477  114.137   4.5824  109.866   2.4976 4.271149 5.218839 
1 1 1    5   36  -16 o   34.157   7.1844  356.993  142.253  317.654  277.545  371.010  165.667   33.625   11.682   34.688   8.3663 -1.062286 14.36872 
1 1 1    5   37  -16 o  118.291   2.6292  4048.32  170.261  4128.71  292.921  4007.31  209.236  119.051   4.2602  117.531   3.0825 1.519539 5.258437 
1 1 1    5   38  -16 o  150.014   2.3139  6534.08  188.011  6523.04  229.075  6556.87  329.094  149.984   2.6445  150.043   3.7977 -0.5850220E-01 4.627733 
1 1 1    5   39  -16 o   81.813   2.6367  1944.69  124.163  2046.06  184.953  1861.51  167.524   83.725   3.8249   79.902   3.6302 3.822884 5.273376 
1 1 1    5   40  -16 o   66.722   4.3390  1395.71  157.079  1089.73  251.942  1590.29  200.909   59.988   7.2720   73.455   4.7358 -13.46770 8.678091 
1 1 1    5   41  -16 o   69.516   3.1774  1458.41  124.103  1598.64  163.197  1266.11  191.106   73.781   3.8299   65.252   5.0710 8.529129 6.354775 
1 1 1    5   42  -16 o   42.075   6.2365  659.469  107.123  447.384  281.375  695.420  115.848   35.668   11.767   48.482   4.1374 -12.81394 12.47307 
1 1 1    5   43  -16 o   46.949   6.2744  736.267  147.672  716.343  280.751  743.888  173.632   44.687   10.961   49.210   6.1093 -4.522602 12.54876 
1 1 1    5   44  -16 o   28.589   7.2883  206.909  141.361  471.311  278.270  114.942  164.115   35.325   11.704   21.854   8.6885 13.47093 14.57656 
1 1 1    5   45  -16 o   23.235   6.9921   64.806  153.141  225.011  277.267  -5.5213  183.704   27.490   11.166   18.980   8.4183 8.509781 13.98412 
1 1 1    5   46  -16 o   43.063   6.7390  651.261  155.306  689.022  280.818  634.622  186.409   41.980   11.323   44.145   7.3113 -2.164913 13.47793 
1 1 1    5   47  -16 o   16.585   6.9162   42.977  110.131   0.0000   0.0000   42.977  110.131  ?   ?    16.585   6.9162      ?      ? 
1 1 1    5    0  -17 o  191.521   2.2258 10538.84  245.293 11654.07  362.836  9600.10  332.889  200.805   3.1303  182.236   3.1650 -0.000000 0.000000 
1 1 1    5    1  -17 o  109.436   3.3828  3443.91  213.296  3740.65  314.532  3191.27  290.223  113.779   4.7865  105.092   4.7816 8.686867 6.765682 
1 1 1    5    2  -17 o  370.281   2.6131 39599.90  558.772 40157.84  797.332 39061.43  783.301  372.844   3.7028  367.719   3.6883 5.124420 5.226293 
1 1 1    5    3  -17 o  402.731   2.0450 46867.62  475.111 47299.63  658.069 46397.23  686.658  404.673   2.8157  400.789   2.9665 3.883636 4.089981 
1 1 1    5    4  -17 o  372.691   2.1753 40390.74  406.683 40669.48  471.121 39575.70  805.602  375.256   2.1738  370.126   3.7687 5.130066 4.350647 
1 1 1    5    5  -17 o  473.393   2.7912 64841.12  725.974 65061.84  898.411 64425.81  1232.36  474.589   3.2777  472.197   4.5189 2.391815 5.582424 
1 1 1    5    6  -17 o  352.449   1.6735 35867.54  336.166 35939.01  519.475 35816.05  440.941  352.746   2.5499  352.152   2.1680 0.5943909 3.346959 
1 1 1    5    7  -17 o  456.711   2.0149 60287.69  526.012 59977.06  802.498 60521.68  696.500  455.671   3.0494  457.752   2.6345 -2.081238 4.029811 
1 1 1    5    8  -17 o  235.122   2.2357 15966.97  303.540 16088.76  434.039 15850.39  424.656  235.999   3.1844  234.245   3.1389 1.753647 4.471411 
1 1 1    5    9  -17 o  127.565   1.5468  4709.02  113.493  4810.02  154.634  4591.08  167.096  129.051   2.0747  126.078   2.2948 2.973488 3.093609 
1 1 1    5   10  -17 f  175.412   1.9406  8806.36  181.913  8676.37  218.277  9101.97  329.156  173.321   2.1806  177.503   3.2108 -4.181335 3.881243 
1 1 1    5   11  -17 o  180.794   1.9661  9506.74  193.566  9640.00  237.952  9246.05  332.813  182.690   2.2552  178.899   3.2211 3.791367 3.932129 
1 1 1    5   12  -17 o  338.376   2.1312 33023.03  399.062 33267.01  669.223 32888.41  497.114  339.325   3.4148  337.427   2.5509 1.897339 4.262409 
1 1 1    5   13  -17 o  394.482   2.9673 44887.75  671.123 44261.24  893.790 45697.56  1016.16  391.352   3.9544  397.613   4.4251 -6.260681 5.934522 
1 1 1    5   14  -17 o  120.619   2.4632  4274.37  142.705  4332.42  162.398  4077.62  298.978  122.469   2.2960  118.769   4.3586 3.699959 4.926396 
1 1 1    5   15  -17 o  138.628   1.5191  5589.69  118.672  5369.27  187.887  5735.98  153.068  136.335   2.3862  140.923   1.8807 -4.587860 3.038252 
1 1 1    5   16  -17 o   59.981   3.0259  1041.92   92.790  1036.49  179.164  1043.91  108.471   59.857   5.1826   60.105   3.1248 -0.2481155 6.051749 
1 1 1    5   17  -17 o   43.354   4.4855  600.439   93.443  457.861  174.742  657.539  110.582   39.018   8.0223   47.690   4.0149 -8.671265 8.970906 
1 1 1    5   18  -17 o  154.836   1.8912  6847.84  134.212  7058.10  305.560  6797.58  149.394  156.264   3.3857  153.408   1.6862 2.856186 3.782365 
1 1 1    5   19  -17 o  131.597   1.5060  5001.07  114.437  5093.31  164.001  4913.53  159.759  132.779   2.1386  130.415   2.1211 2.363937 3.012064 
1 1 1    5   20  -17 o  160.540   1.3289  7445.36  121.940  7444.99  186.344  7445.64  161.261  160.532   2.0099  160.548   1.7392 -0.1554871E-01 2.657870 
1 1 1    5   21  -17 o  244.805   1.2428 17311.87  175.643 17328.00  251.898 17296.60  245.037  244.915   1.7808  244.695   1.7339 0.2196350 2.485508 
1 1 1    5   22  -17 o  365.207   1.6806 38534.04  349.168 38601.09  543.042 38486.78  455.905  365.454   2.5729  364.959   2.1629 0.4949036 3.361234 
1 1 1    5   23  -17 o  123.032   1.6771  4372.90  119.170  4372.90  119.170   0.0000   0.0000  123.032   1.6771  ?   ?       ?      ? 
1 1 1    5   24  -17 o  108.576   1.5004  3408.00   92.435  3399.84  144.830  3413.60  120.071  108.458   2.3121  108.693   1.9127 -0.2341919 3.000728 
1 1 1    5   25  -17 o  116.356   1.3714  3911.54   92.076  3927.49  133.230  3896.97  127.396  116.582   1.9787  116.131   1.8994 0.4507370 2.742854 
1 1 1    5   26  -17 o  293.511   1.9400 25151.89  283.567 24437.92  566.517 25390.58  327.554  290.599   3.3755  296.422   1.9133 -5.823029 3.880015 
1 1 1    5   27  -17 o  242.110   1.8423 17124.99  219.277 17287.58  251.759 16614.04  446.302  244.600   1.7821  239.620   3.2249 4.979416 3.684585 
1 1 1    5   28  -17 o   85.843   2.7702  2136.01  137.043  2159.99  188.317  2109.01  199.811   86.365   3.7754   85.321   4.0549 1.043655 5.540371 
1 1 1    5   29  -17 f  273.376   1.9651 21651.41  299.446 21754.65  377.486 21476.17  491.800  274.313   2.3827  272.438   3.1256 1.875092 3.930230 
1 1 1    5   30  -17 o   74.213   3.8847  1545.76  140.299  1500.88  158.932  1704.21  298.626   71.980   3.8231   76.446   6.7638 -4.465530 7.769469 
1 1 1    5   31  -17 o  218.531   2.0381 13860.12  242.461 13687.93  418.754 13946.95  297.379  217.435   3.3346  219.626   2.3445 -2.191238 4.076280 
1 1 1    5   32  -17 o  221.395   1.4562 14168.86  182.705 14164.60  236.567 14175.16  287.617  221.378   1.8503  221.414   2.2492 -0.3608704E-01 2.912449 
1 1 1    5   33  -17 o  141.554   2.7149  5818.98  221.614  5619.23  318.758  6005.86  308.321  139.180   3.9655  143.929   3.7091 -4.749313 5.429804 
1 1 1    5   34  -17 o  270.807   1.3602 21206.92  212.690 21035.98  303.578 21371.71  298.076  269.731   1.9487  271.884   1.8983 -2.152618 2.720484 
1 1 1    5   35  -17 o   73.869   2.9454  1595.85  124.360  1662.20  166.505  1512.13  187.021   75.657   3.8106   72.082   4.4924 3.574463 5.890852 
1 1 1    5   36  -17 o   69.490   3.4290  1407.92  137.080  1244.25  190.115  1585.15  197.836   65.258   5.0442   73.722   4.6464 -8.464020 6.858100 
1 1 1    5   37  -17 o   82.158   4.2258  1981.91  199.923  1908.09  270.642  2070.58  296.606   80.522   5.8197   83.795   6.1289 -3.272781 8.451698 
1 1 1    5   38  -17 o   78.207   2.7930  1788.36  122.725  1798.59  156.702  1772.14  197.369   78.595   3.4522   77.818   4.3915 0.7774124 5.585935 
1 1 1    5   39  -17 o  121.872   1.8253  4312.35  127.469  4302.74  169.894  4324.73  192.811  121.760   2.4159  121.985   2.7368 -0.2243195 3.650589 
1 1 1    5   40  -17 o  156.877   2.7342  7220.23  247.701  7351.43  352.667  7092.48  347.985  158.289   3.8577  155.465   3.8756 2.824265 5.468303 
1 1 1    5   41  -17 o  167.292   2.5177  8239.57  241.205  8385.58  322.692  8054.69  363.104  169.172   3.3027  165.413   3.8008 3.758606 5.035302 
1 1 1    5   42  -17 o   79.886   3.2040  1903.60  119.306  1903.65  261.627  1903.59  134.056   79.120   5.7254   80.652   2.8780 -1.531815 6.408053 
1 1 1    5   43  -17 o   23.539   7.3477 -37.9574  212.318  202.105  285.492 -335.0404  317.593   27.518   11.272   19.560   9.4290 7.958815 14.69541 
1 1 1    5   44  -17 o   37.345   7.2830  468.456  147.211  612.490  290.701  418.781  170.720   39.746   11.805   34.943   8.5332 4.803764 14.56591 
1 1 1    5   45  -17 o   66.602   3.8361  1278.56  137.407  1620.61  254.677  1138.11  163.198   71.893   6.1336   61.311   4.6088 10.58137 7.672201 
1 1 1    5   46  -17 o   59.247   5.7375  1100.04  196.325   0.0000   0.0000  1100.04  196.325  ?   ?    59.247   5.7375      ?      ? 
1 1 1    5   47  -17 o   47.727   6.7801  895.429  170.202  703.710  295.336  990.766  208.265   40.323   11.879   55.132   6.5408 -14.80841 13.56028 
1 1 1    5    0  -18 o   98.410   2.4081  2832.05  135.036  3027.09  182.439  2595.72  200.821  102.236   3.0962   94.584   3.6890 -0.000000 0.000000 
1 1 1    5    1  -18 o  573.714   2.5914 95091.76  858.566 95010.59  1222.39 95170.78  1206.17  573.470   3.6907  573.957   3.6387 -0.4869385 5.182801 
1 1 1    5    2  -18 o  508.219   3.2955 74642.21  967.203 74796.20  1358.98 74484.13  1376.85  508.753   4.6251  507.685   4.6958 1.067993 6.591053 
1 1 1    5    3  -18 o  276.547   2.1331 22258.13  306.659 22478.02  362.862 21708.60  573.632  278.974   2.2521  274.120   3.6233 4.853699 4.266209 
1 1 1    5    4  -18 f  189.062   1.4540 10285.85  156.561 10103.28  204.203 10546.21  243.858  187.037   1.8904  191.088   2.2096 -4.051575 2.907916 
1 1 1    5    5  -18 o  222.755   1.8931 14264.42  236.221 14608.87  386.308 14058.71  298.538  224.886   2.9743  220.624   2.3429 4.261841 3.786283 
1 1 1    5    6  -18 o  215.455   1.9432 13372.27  227.968 13299.88  278.821 13518.24  395.939  214.588   2.2498  216.322   3.1691 -1.734177 3.886497 
1 1 1    5    7  -18 o  327.080   2.0983 30873.28  380.089 31012.33  635.820 30795.96  474.133  327.637   3.3601  326.524   2.5142 1.112946 4.196626 
1 1 1    5    8  -18 o  120.635   1.5643  4210.02  108.740  4087.95  157.855  4320.25  150.009  118.967   2.2974  122.303   2.1237 -3.335518 3.128639 
1 1 1    5    9  -18 o  232.625   1.4804 15650.84  192.142 15711.65  242.469 15548.21  315.013  233.240   1.8000  232.011   2.3509 1.228058 2.960860 
1 1 1    5   10  -18 o  136.498   1.6026  5385.19  123.870  5363.35  195.240  5399.90  160.253  136.263   2.4809  136.733   2.0293 -0.4700623 3.205133 
1 1 1    5   11  -18 o  275.912   1.9556 21887.83  292.095 21696.03  354.970 22290.06  514.045  274.067   2.2426  277.756   3.2044 -3.689392 3.911217 
1 1 1    5   12  -18 o  393.139   2.6163 44774.27  527.982 44903.10  618.798 44429.44  1012.39  394.250   2.7176  392.028   4.4714 2.222046 5.232505 
1 1 1    5   13  -18 o  251.718   1.8510 18407.76  258.913 17921.56  426.295 18691.95  325.910  249.055   2.9637  254.381   2.2183 -5.326431 3.701943 
1 1 1    5   14  -18 o  109.807   2.6506  3522.67  159.138  3366.64  270.086  3605.65  196.958  107.907   4.3338  111.707   3.0529 -3.799736 5.301104 
1 1 1    5   15  -18 o  252.337   2.1066 18393.23  307.013 18393.23  307.013   0.0000   0.0000  252.337   2.1066  ?   ?       ?      ? 
1 1 1    5   16  -18 o  134.176   1.6249  5198.69  125.149  5221.77  187.837  5180.27  167.825  134.440   2.4192  133.911   2.1700 0.5290527 3.249802 
1 1 1    5   17  -18 o   54.346   4.1226  854.201  129.398   0.0000   0.0000  854.201  129.398  ?   ?    54.346   4.1226      ?      ? 
1 1 1    5   18  -18 o  139.803   1.7037  5649.65  137.333  5689.94  189.179  5604.78  199.681  140.333   2.3342  139.273   2.4825 1.059097 3.407480 
1 1 1    5   19  -18 o  180.977   1.3137  9469.06  135.612  9509.32  178.497  9414.10  208.562  181.438   1.7034  180.516   2.0005 0.9216461 2.627455 
1 1 1    5   20  -18 o  197.849   1.4296 11320.27  163.161 11036.81  234.710 11585.35  226.972  195.447   2.0793  200.251   1.9625 -4.803864 2.859192 
1 1 1    5   21  -18 o   64.026   2.7008  1184.94   99.868   0.0000   0.0000  1184.94   99.868  ?   ?    64.026   2.7008      ?      ? 
1 1 1    5   22  -18 f  196.878   1.3227 11189.20  146.064 11240.11  236.962 11158.01  185.493  197.226   2.0803  196.529   1.6342 0.6968384 2.645458 
1 1 1    5   23  -18 o  167.492   1.7887  8004.73  143.830  8299.14  307.890  7922.55  162.670  169.388   3.1472  165.596   1.7009 3.791626 3.577429 
1 1 1    5   24  -18 o  166.444   1.9102  8129.63  144.610  7817.25  326.770  8205.71  161.260  164.358   3.4424  168.529   1.6568 -4.170593 3.820375 
1 1 1    5   25  -18 o  124.309   1.9925  4463.40  142.828  4564.08  208.810  4374.88  195.796  125.621   2.8781  122.997   2.7563 2.623444 3.985030 
1 1 1    5   26  -18 o  104.552   2.6878  3184.27  161.010  3347.28  217.993  2988.59  238.838  107.535   3.5100  101.568   4.0716 5.966850 5.375652 
1 1 1    5   27  -18 o  159.562   1.6793  7369.18  152.344  7411.05  198.986  7309.88  236.811  160.127   2.1517  158.998   2.5788 1.128403 3.358574 
1 1 1    5   28  -18 o  324.789   2.1419 30478.38  385.342 30662.97  644.447 30375.64  480.754  325.468   3.4284  324.110   2.5683 1.357910 4.283712 
1 1 1    5   29  -18 o  154.732   2.7465  6953.88  244.618  7198.93  336.247  6678.38  356.527  157.659   3.6928  151.805   4.0665 5.854355 5.493016 
1 1 1    5   30  -18 o  141.384   2.8267  5793.72  230.776  5931.20  327.428  5658.01  325.314  143.055   3.9630  139.712   4.0316 3.342194 5.653307 
1 1 1    5   31  -18 o   49.992   7.2447  766.326  202.105  769.626  289.196  763.175  282.559   50.079   10.341   49.906   10.149 0.1732368 14.48946 
1 1 1    5   32  -18 o   69.845   5.4920  1433.81  221.247  1450.07  306.191  1416.05  320.050   70.293   7.5421   69.397   7.9854 0.8966599 10.98404 
1 1 1    5   33  -18 o  197.039   2.0134 11152.61  211.449 11470.20  383.870 11014.27  253.350  198.939   3.3410  195.139   2.2480 3.800354 4.026886 
1 1 1    5   34  -18 o   97.092   3.0712  2683.94  158.062  2887.22  292.657  2600.23  187.810   99.504   5.0925   94.681   3.4346 4.823799 6.142467 
1 1 1    5   35  -18 o   58.359   5.5293  996.980  186.366   0.0000   0.0000  996.980  186.366  ?   ?    58.359   5.5293      ?      ? 
1 1 1    5   36  -18 o   26.089   6.5656  150.431  122.874  289.174  208.286   76.373  152.174   31.100   10.117   21.078   8.3708 10.02183 13.13130 
1 1 1    5   37  -18 o   52.179   5.0307  799.459  151.603   0.0000   0.0000  799.459  151.603  ?   ?    52.179   5.0307      ?      ? 
1 1 1    5   38  -18 o   65.046   4.7935  1244.81  180.078   0.0000   0.0000  1244.81  180.078  ?   ?    65.046   4.7935      ?      ? 
1 1 1    5   39  -18 f   26.347   6.4404  189.390  117.536  134.400  148.938  280.177  191.369   22.845   8.4780   29.848   9.6972 -7.003462 12.88073 
1 1 1    5   40  -18 o   76.084   4.0011  1756.70  160.724  1784.35  193.031  1694.21  290.208   77.698   4.3016   74.469   6.7476 3.228767 8.002120 
1 1 1    5   41  -18 o   51.492   5.9347  809.792  155.653  977.053  298.273  747.196  182.469   53.654   9.9934   49.331   6.4045 4.322510 11.86948 
1 1 1    5   42  -18 o   18.094   6.0139 -68.0772  112.684 -109.8447  297.427 -61.0773  121.761   21.809   10.075   14.378   6.5697 7.431082 12.02777 
1 1 1    5   43  -18 o   50.184   6.9132  882.654  192.218  887.778  259.086  876.382  286.679   50.897   9.1502   49.472   10.365 1.425610 13.82633 
1 1 1    5   44  -18 o   87.098   4.2708  2365.81  214.677  2387.30  310.016  2346.01  297.566   87.365   6.1442   86.830   5.9337 0.5343094 8.541637 
1 1 1    5   45  -18 o   30.286   7.6159  280.006  151.188  546.332  300.733  189.928  174.897   36.210   12.171   24.362   9.1583 11.84821 15.23171 
1 1 1    5   46  -18 o   15.627   7.2769 -88.0990  159.953   0.0000   0.0000 -88.0990  159.953  ?   ?    15.627   7.2769      ?      ? 
1 1 1    5    0  -19 o  338.906   2.4522 33179.25  479.668 33415.57  689.554 32957.66  667.680  340.073   3.5117  337.739   3.4238 -0.000000 0.000000 
1 1 1    5    1  -19 o  286.639   1.6350 23729.65  270.394 23695.05  373.913 23767.59  391.481  286.421   2.2604  286.856   2.3630 -0.4352112 3.270014 
1 1 1    5    2  -19 f  252.136   1.5419 18358.04  224.426 18250.01  312.173 18473.61  322.871  251.369   2.1503  252.903   2.2105 -1.533844 3.083842 
1 1 1    5    3  -19 o  154.690   1.9222  6898.00  153.457  6880.58  180.184  6944.00  292.811  154.346   2.0213  155.034   3.2702 -0.6877441 3.844468 
1 1 1    5    4  -19 o   95.971   2.4481  2658.23  134.534  2639.42  178.646  2682.86  204.481   95.582   3.2362   96.359   3.6743 -0.7770538 4.896249 
1 1 1    5    5  -19 o   90.798   3.2787  2290.49  156.910  2608.87  297.233  2167.49  184.751   94.986   5.4182   86.610   3.6935 8.376137 6.557311 
1 1 1    5    6  -19 o  315.849   2.1211 28866.09  365.276 28681.17  629.955 28959.75  448.342  315.063   3.4620  316.634   2.4517 -1.570984 4.242192 
1 1 1    5    7  -19 o  362.621   1.6898 37871.02  347.077 37422.35  447.694 38546.90  549.478  359.947   2.1536  365.295   2.6045 -5.348816 3.379521 
1 1 1    5    8  -19 o  301.999   1.9977 26495.31  330.213 26817.39  407.880 25882.65  562.538  304.698   2.3178  299.300   3.2543 5.398071 3.995348 
1 1 1    5    9  -19 o  293.439   1.6506 24873.06  279.664 24893.98  391.520 24851.26  399.615  293.566   2.3092  293.312   2.3590 0.2539063 3.301106 
1 1 1    5   10  -19 o  157.434   2.5012  7174.42  226.999  6912.58  327.306  7417.08  315.093  154.657   3.6644  160.210   3.4054 -5.552994 5.002407 
1 1 1    5   11  -19 o   81.391   2.1997  1921.82   98.530  1939.76  122.354  1888.71  166.187   81.941   2.5854   80.841   3.5594 1.100830 4.399315 
1 1 1    5   12  -19 f  168.136   2.0018  8255.06  173.182  8362.45  203.787  7975.88  328.571  170.147   2.0738  166.125   3.4246 4.021790 4.003553 
1 1 1    5   13  -19 o  121.430   1.9231  4265.33  133.762  4299.68  178.476  4221.29  202.044  121.993   2.5331  120.867   2.8943 1.125992 3.846296 
1 1 1    5   14  -19 o  197.023   1.8594 11237.97  200.664 11146.19  342.661 11285.87  247.552  196.392   3.0210  197.654   2.1686 -1.262360 3.718782 
1 1 1    5   15  -19 o   91.009   1.8332  2404.23   95.299  2473.86  126.822  2313.91  144.436   92.534   2.3731   89.484   2.7948 3.049995 3.666352 
1 1 1    5   16  -19 o   85.613   2.5796  2121.18  127.429  2031.48  181.149  2209.05  179.290   83.817   3.7421   87.409   3.5515 -3.592468 5.159165 
1 1 1    5   17  -19 o   64.576   4.0147  1170.18  131.837  1289.36  262.925  1130.15  152.378   66.653   6.8301   62.499   4.2215 4.153896 8.029390 
1 1 1    5   18  -19 o  112.529   1.8910  3675.74  121.173  3559.90  186.115  3760.98  159.644  110.974   2.9038  114.083   2.4230 -3.108536 3.781938 
1 1 1    5   19  -19 o   82.788   2.0828  1955.19   97.447  2105.12  157.160  1861.55  124.205   85.324   3.1892   80.252   2.6798 5.071983 4.165619 
1 1 1    5   20  -19 o  391.962   1.7838 44388.33  395.740 44496.27  625.637 44316.34  510.943  392.324   2.7612  391.601   2.2591 0.7227173 3.567596 
1 1 1    5   21  -19 o  179.342   1.7099  9302.84  142.234  9307.09  159.257  9286.09  316.195  179.493   1.5363  179.192   3.0553 0.3014526 3.419776 
1 1 1    5   22  -19 o  187.848   1.1444 10179.85  122.822 10293.23  188.469 10096.16  161.928  188.750   1.7289  186.946   1.4998 1.803802 2.288739 
1 1 1    5   23  -19 o   84.342   2.2807  2107.37  101.903  1931.85  181.480  2188.19  123.150   81.682   3.8469   87.002   2.4509 -5.319633 4.561330 
1 1 1    5   24  -19 f  189.744   1.9224 10409.78  198.377 10415.35  344.436 10407.01  242.667  189.737   3.1432  189.751   2.2143 -0.1353455E-01 3.844857 
1 1 1    5   25  -19 o   32.329   5.4502  316.742  100.217  331.366  146.152  303.764  137.685   33.028   7.7886   31.630   7.6260 1.397699 10.90038 
1 1 1    5   26  -19 o  169.925   1.9912  8321.05  176.755  8422.11  330.987  8280.72  209.061  170.587   3.3595  169.262   2.1386 1.325378 3.982469 
1 1 1    5   27  -19 o  124.657   1.4585  4488.97  104.953  4558.03  151.331  4424.97  145.682  125.579   2.0865  123.735   2.0386 1.844017 2.917096 
1 1 1    5   28  -19 o  150.912   2.1547  6521.45  147.799  6701.41  339.845  6479.47  164.134  152.090   3.8690  149.735   1.8980 2.355469 4.309429 
1 1 1    5   29  -19 o  203.968   2.1622 12177.64  234.117 12397.68  281.792 11687.30  420.658  207.067   2.3563  200.869   3.6260 6.197998 4.324377 
1 1 1    5   30  -19 o  102.116   3.7091  3021.82  218.749  3021.82  218.749   0.0000   0.0000  102.116   3.7091  ?   ?       ?      ? 
1 1 1    5   31  -19 o  135.419   2.5427  5241.98  189.449  5082.29  232.990  5553.57  325.461  132.488   3.0449  138.351   4.0732 -5.862411 5.085486 
1 1 1    5   32  -19 o  126.671   3.1427  4666.92  229.435  4725.42  315.602  4601.35  334.129  127.542   4.2845  125.800   4.5988 1.742218 6.285406 
1 1 1    5   33  -19 o  120.321   3.1787  4220.02  220.397  3920.72  313.069  4514.10  310.325  116.048   4.6711  124.595   4.3125 -8.547096 6.357437 
1 1 1    5   34  -19 o  135.313   2.9609  5334.80  230.725  5422.45  316.081  5234.82  337.567  136.548   4.0080  134.078   4.3593 2.469574 5.921776 
1 1 1    5   35  -19 o   87.358   2.9318  2224.05  147.887  2233.72  207.232  2214.02  211.110   87.560   4.0979   87.155   4.1940 0.4052582 5.863683 
1 1 1    5   36  -19 o   49.684   4.9084  734.825  140.789  706.483  197.414  764.159  200.841   48.692   7.0200   50.675   6.8623 -1.983353 9.816866 
1 1 1    5   37  -19 o  116.429   3.4211  3983.85  229.874  4069.09  332.811  3906.08  317.884  117.592   4.9004  115.267   4.7751 2.325058 6.842178 
1 1 1    5   38  -19 o   95.008   3.5335  2725.56  175.256  2535.17  320.109  2807.06  209.432   92.078   6.0195   97.938   3.7026 -5.860390 7.067042 
1 1 1    5   39  -19 o   45.135   6.6259  680.769  160.281  600.719  277.221  720.966  196.444   41.732   11.247   48.538   7.0076 -6.805653 13.25175 
1 1 1    5   40  -19 o   86.086   3.0709  2211.81  150.846  2288.00  200.719  2112.93  228.661   88.001   3.9492   84.170   4.7038 3.830849 6.141844 
1 1 1    5   41  -19 o   88.932   3.0203  2362.65  154.635  2467.98  213.742  2246.98  223.992   91.150   4.0602   86.715   4.4725 4.434280 6.040594 
1 1 1    5   42  -19 o   95.482   2.7117  2707.47  149.471  2742.53  215.044  2674.70  207.905   96.050   3.8765   94.913   3.7927 1.137215 5.423331 
1 1 1    5   43  -19 o  105.137   3.5589  3354.67  214.198  3444.05  326.676  3287.26  283.694  106.028   5.3347  104.246   4.7120 1.781670 7.117743 
1 1 1    5   44  -19 o   31.457   7.5755  288.827  196.367 -44.4268  264.830  695.807  292.661   21.100   9.6590   41.815   11.673 -20.71493 15.15097 
1 1 1    5   45  -19 o   33.229   8.0950  409.635  190.644  682.483  310.206  244.034  241.669   39.817   12.273   26.641   10.559 13.17674 16.18995 
1 1 1    5   46  -19 o   33.072   6.8812  487.250  161.648  163.506  312.982  605.023  188.774   24.964   11.034   41.180   8.2250 -16.21671 13.76245 
1 1 1    5    0  -20 o   10.487   5.3832 -351.8935  137.185 -229.7721  243.950 -408.3733  165.902   12.985   9.0460   7.9878   5.8383 -0.000000 0.000000 
1 1 1    5    1  -20 o  406.156   2.4321 47646.77  544.055 47601.10  674.432 47731.85  920.598  405.916   2.8768  406.397   3.9222 -0.4809570 4.864180 
1 1 1    5    2  -20 o  227.199   1.8849 14917.88  232.052 14894.42  405.651 14929.30  282.915  227.051   3.0935  227.346   2.1547 -0.2956238 3.769896 
1 1 1    5    3  -20 o  117.129   2.1552  3975.06  128.402  3939.72  249.702  3987.77  149.713  116.760   3.7029  117.498   2.2062 -0.7380371 4.310326 
1 1 1    5    4  -20 o  200.823   1.5211 11649.78  176.239 11663.24  243.840 11635.06  255.014  200.946   2.1011  200.700   2.2000 0.2453003 3.042150 
1 1 1    5    5  -20 o  174.568   1.1816  8782.87  117.946  8931.34  180.641  8672.54  155.721  175.850   1.7786  173.287   1.5560 2.562805 2.363165 
1 1 1    5    6  -20 o  218.996   1.2657 13851.28  160.043 13878.01  229.108 13825.81  223.661  219.202   1.8097  218.790   1.7700 0.4117126 2.531416 
1 1 1    5    7  -20 o  212.530   1.6080 13049.16  197.352 13228.84  278.479 12867.87  279.721  214.000   2.2532  211.059   2.2947 2.941086 3.215994 
1 1 1    5    8  -20 o  264.103   1.8826 20132.62  275.155 20216.99  460.996 20085.93  342.941  264.515   3.0176  263.691   2.2518 0.8237915 3.765193 
1 1 1    5    9  -20 o  352.609   2.1626 35805.53  415.103 36290.77  721.720 35565.66  507.434  354.350   3.5266  350.867   2.5041 3.482574 4.325173 
1 1 1    5   10  -20 f  202.878   1.8875 11821.34  208.256 11684.88  254.033 12101.01  363.667  201.121   2.1870  204.635   3.0771 -3.514343 3.775095 
1 1 1    5   11  -20 o  126.113   1.8866  4591.18  137.078  4653.75  201.640  4537.42  186.911  126.909   2.7511  125.318   2.5825 1.591629 3.773262 
1 1 1    5   12  -20 o  168.811   1.8771  8243.96  178.665  8280.03  229.346  8188.28  284.953  169.292   2.3457  168.329   2.9311 0.9627380 3.754123 
1 1 1    5   13  -20 o  311.413   1.5149 28029.71  267.890 28089.88  348.615 27942.94  418.631  311.833   1.9357  310.992   2.3308 0.8408508 3.029746 
1 1 1    5   14  -20 o   49.952   3.4745  734.081   96.422  769.215  122.475  676.802  156.379   51.568   4.1123   48.336   5.6017 3.231647 6.949092 
1 1 1    5   15  -20 o  160.984   1.8147  7486.41  168.720   0.0000   0.0000  7486.41  168.720  ?   ?   160.984   1.8147      ?      ? 
1 1 1    5   16  -20 o  267.093   1.5238 20606.26  235.064   0.0000   0.0000 20606.26  235.064  ?   ?   267.093   1.5238      ?      ? 
1 1 1    5   17  -20 o  141.521   2.0453  5777.50  119.822  5807.54  308.310  5772.15  130.045  141.684   3.7678  141.358   1.5929 0.3257446 4.090636 
1 1 1    5   18  -20 o  231.996   1.4103 15574.45  183.567 15650.28  233.667 15452.21  296.674  232.751   1.7383  231.242   2.2214 1.508804 2.820693 
1 1 1    5   19  -20 o  422.849   2.4199 51665.56  546.026 51883.94  983.468 51568.24  656.506  423.349   4.0223  422.349   2.6914 1.000214 4.839708 
1 1 1    5   20  -20 o  135.045   2.3582  5343.79  167.733  5109.60  305.257  5445.08  200.757  132.845   3.9786  137.244   2.5327 -4.398666 4.716390 
1 1 1    5   21  -20 o  274.014   1.5917 21703.13  251.869 21829.31  354.125 21573.96  358.305  274.822   2.2311  273.206   2.2708 1.616425 3.183448 
1 1 1    5   22  -20 o  148.119   1.6648  6341.88  140.703  6342.69  216.437  6341.27  185.170  148.116   2.5301  148.123   2.1645 -0.6988525E-02 3.329684 
1 1 1    5   23  -20 o   99.512   1.9789  2855.09  111.443  2907.47  176.914  2820.63  143.490  100.252   3.0555   98.772   2.5154 1.480019 3.957710 
1 1 1    5   24  -20 o   68.859   2.8286  1372.85  112.417  1391.68  162.394  1355.53  155.776   69.309   4.0569   68.409   3.9427 0.8998947 5.657167 
1 1 1    5   25  -20 o  131.979   1.5351  5034.99  116.997  5053.40  164.257  5016.04  166.688  132.225   2.1509  131.733   2.1909 0.4919739 3.070270 
1 1 1    5   26  -20 o  127.564   2.1112  4702.44  153.604  4741.53  237.120  4674.17  201.627  128.002   3.2075  127.126   2.7462 0.8761368 4.222500 
1 1 1    5   27  -20 o  266.886   1.4473 20596.17  218.799 20543.60  344.650 20631.65  283.183  266.576   2.2386  267.195   1.8351 -0.6189270 2.894603 
1 1 1    5   28  -20 o  201.625   1.7123 11763.15  198.875 11648.58  291.219 11863.27  272.242  200.694   2.5125  202.556   2.3272 -1.862518 3.424636 
1 1 1    5   29  -20 o   83.252   3.7134  2008.59  178.543  2008.59  178.543   0.0000   0.0000   83.252   3.7134  ?   ?       ?      ? 
1 1 1    5   30  -20 o  155.697   2.3094  7009.69  193.889  7055.81  342.696  6987.97  235.142  155.988   3.8039  155.406   2.6198 0.5816803 4.618820 
1 1 1    5   31  -20 o   71.421   4.3810  1406.62  171.131  1247.25  206.300  1758.25  306.427   65.402   5.4616   77.439   6.8514 -12.03652 8.761933 
1 1 1    5   32  -20 o   53.779   6.5762  965.053  170.699  1070.74  201.628  697.626  320.732   60.515   5.7690   47.044   11.820 13.47161 13.15234 
1 1 1    5   33  -20 o  136.064   2.8599  5372.36  223.928  5524.05  333.007  5247.15  302.543  137.779   4.1849  134.349   3.8991 3.429657 5.719849 
1 1 1    5   34  -20 f   68.001   4.6759  1393.36  172.479  1281.67  293.335  1452.38  213.236   65.592   7.7434   70.410   5.2437 -4.818657 9.351831 
1 1 1    5   35  -20 o   40.872   6.7849  594.518  143.518  668.027  162.686  336.542  304.767   47.568   5.9218   34.176   12.210 13.39136 13.56981 
1 1 1    5   36  -20 o  105.490   3.2056  3339.30  177.457  3453.34  212.951  3080.12  321.025  108.872   3.3867  102.108   5.4437 6.763222 6.411189 
1 1 1    5   37  -20 o   82.433   4.3240  1997.31  205.862   0.0000   0.0000  1997.31  205.862  ?   ?    82.433   4.3240      ?      ? 
1 1 1    5   38  -20 o   65.714   3.8970  1296.24  147.326  1210.81  212.727  1374.99  204.233   63.503   5.8002   67.924   5.2061 -4.421570 7.793995 
1 1 1    5   39  -20 o   14.501   5.0151 -353.7557  135.129 -184.3342  206.350 -480.9571  178.800   17.036   8.0380   11.966   5.9998 5.069662 10.03028 
1 1 1    5   40  -20 o   99.406   3.1457  2973.93  171.932  2862.73  287.919  3035.56  214.346   97.428   5.1168  101.383   3.6607 -3.954720 6.291467 
1 1 1    5   41  -20 o   23.765   6.7048  123.260  143.612  236.517  207.512   19.152  198.955   27.140   10.020   20.389   8.9114 6.751659 13.40952 
1 1 1    5   42  -20 o   26.629   7.9477  157.316  215.683   16.943  316.410  279.152  294.780   24.064   10.833   29.193   11.632 -5.129202 15.89548 
1 1 1    5   43  -20 o   18.603   6.2502 -156.0317  168.908 -284.3524  318.676 -105.8985  199.188   19.721   9.4911   17.485   8.1351 2.235394 12.50040 
1 1 1    5   44  -20 o   41.523   6.4710  567.344  134.357  726.805  277.815  518.661  153.503   42.910   11.119   40.136   6.6222 2.774418 12.94200 
1 1 1    5   45  -20 o   19.948   6.7330 -176.5044  217.912 -265.4315  317.536 -97.3435  299.593   19.215   9.3032   20.681   9.7358 -1.466251 13.46607 
1 1 1    5    0  -21 o   99.196   3.1522  2807.23  173.712  2664.67  216.766  3063.10  290.411   95.794   3.9331  102.597   4.9270 -0.000000 0.000000 
1 1 1    5    1  -21 o  350.440   2.2231 35443.08  420.345 35610.93  741.963 35363.74  510.103  351.009   3.6600  349.871   2.5244 1.137787 4.446144 
1 1 1    5    2  -21 o  354.635   1.7840 36334.75  365.372 36195.46  518.860 36471.78  514.594  353.960   2.5381  355.310   2.5077 -1.350372 3.567977 
1 1 1    5    3  -21 o  296.182   2.3346 25351.52  399.347 25313.98  566.413 25388.63  563.126  295.963   3.3137  296.401   3.2896 -0.4376831 4.669239 
1 1 1    5    4  -21 o  338.608   1.6090 33082.93  306.574 32951.39  391.304 33292.00  493.333  337.752   2.0060  339.465   2.5163 -1.713470 3.218032 
1 1 1    5    5  -21 o   88.476   2.2521  2260.05  109.898  2269.24  185.497  2255.08  136.416   88.604   3.6249   88.347   2.6736 0.2576065 4.504197 
1 1 1    5    6  -21 o  171.435   1.8299  8519.90  175.413  8375.93  285.240  8607.46  222.451  170.255   2.9008  172.615   2.2314 -2.359497 3.659757 
1 1 1    5    7  -21 o  111.146   2.3542  3592.69  145.263  3653.27  182.696  3488.54  239.523  112.442   2.8133  109.850   3.7754 2.591782 4.708307 
1 1 1    5    8  -21 o  457.653   2.0078 60365.37  518.770 61262.06  828.754 59787.64  665.216  460.409   3.1167  454.897   2.5320 5.512177 4.015586 
1 1 1    5    9  -21 o  162.101   1.3338  7590.78  124.862  7525.46  177.012  7655.47  176.155  161.406   1.8989  162.795   1.8736 -1.388977 2.667578 
1 1 1    5   10  -21 o  236.156   1.8695 16147.39  214.837 16055.11  446.586 16175.18  245.056  235.675   3.2810  236.637   1.7931 -0.9620667 3.738999 
1 1 1    5   11  -21 o  103.161   2.0931  3085.29  124.231  2943.39  181.191  3211.18  170.661  100.911   3.1089  105.411   2.8033 -4.499908 4.186131 
1 1 1    5   12  -21 o  171.872   2.0762  8551.02  194.232  8577.04  237.992  8499.12  336.118  172.290   2.3918  171.454   3.3944 0.8366852 4.152383 
1 1 1    5   13  -21 o   26.108   5.9798  192.294  103.123  176.134  150.536  206.584  141.554   25.495   8.6108   26.722   8.2997 -1.226961 11.95953 
1 1 1    5   14  -21 o   18.410   5.8465 -84.6916  128.447 -106.0582  196.709 -68.8092  169.596   18.810   8.4977   18.010   8.0323 0.7994061 11.69310 
1 1 1    5   15  -21 o  208.982   1.5231 12625.42  183.699 12435.52  263.620 12804.67  256.120  207.451   2.2003  210.514   2.1066 -3.062164 3.046130 
1 1 1    5   16  -21 o   66.611   4.8463  1285.54  186.441  1285.54  186.441   0.0000   0.0000   66.611   4.8463  ?   ?       ?      ? 
1 1 1    5   17  -21 o   96.600   2.4060  2699.79  134.012  2693.50  195.070  2705.41  184.421   96.488   3.5005   96.711   3.3018 -0.2230072 4.812007 
1 1 1    5   18  -21 o   76.206   2.8775  1649.52  115.954  1760.99  215.334  1604.00  137.609   77.945   4.7834   74.466   3.1996 3.478516 5.754908 
1 1 1    5   19  -21 o  380.197   1.7899 41712.27  381.161 42099.91  621.250 41478.26  482.688  381.560   2.8192  378.834   2.2061 2.725983 3.579757 
1 1 1    5   20  -21 o  328.835   1.5627 31254.08  293.744 31257.17  388.634 31249.96  448.628  328.875   2.0461  328.795   2.3625 0.7989502E-01 3.125378 
1 1 1    5   21  -21 o   73.529   3.1617  1567.31  134.253  1544.81  190.137  1589.68  189.588   73.000   4.5098   74.057   4.4326 -1.057426 6.323471 
1 1 1    5   22  -21 o   97.322   2.4275  2741.42  136.442  2730.51  192.985  2752.32  192.932   97.128   3.4403   97.516   3.4256 -0.3881302 4.854949 
1 1 1    5   23  -21 o  115.152   1.8415  3826.92  122.268  3956.46  179.125  3713.92  167.305  116.970   2.6515  113.333   2.5560 3.636444 3.682918 
1 1 1    5   24  -21 o  148.563   1.6250  6252.62  126.765  6686.17  238.411  6081.75  149.676  152.050   2.7149  145.076   1.7864 6.973877 3.249900 
1 1 1    5   25  -21 o  130.574   1.6850  4915.33  126.167  5043.75  191.206  4816.29  167.910  132.072   2.5067  129.076   2.2524 2.995880 3.370011 
1 1 1    5   26  -21 o  268.256   1.4917 20794.95  226.276 20831.75  358.690 20770.62  291.626  268.426   2.3137  268.086   1.8835 0.3398132 2.983433 
1 1 1    5   27  -21 o  269.541   2.0344 20994.37  295.557 20945.13  358.340 21099.15  522.710  269.144   2.3053  269.938   3.3528 -0.7943726 4.068882 
1 1 1    5   28  -21 o  143.409   1.7830  5935.35  141.510  5901.79  176.243  5996.25  237.398  142.874   2.1359  143.944   2.8556 -1.070343 3.566012 
1 1 1    5   29  -21 o  140.219   2.1855  5611.61  141.274  5830.66  319.645  5558.43  157.491  141.778   3.9037  138.660   1.9666 3.117889 4.371066 
1 1 1    5   30  -21 o  147.218   2.7050  6287.35  229.900  6539.26  327.877  6043.71  322.447  150.126   3.7815  144.310   3.8688 5.816406 5.409965 
1 1 1    5   31  -21 o  131.426   2.6381  5088.23  187.235  4801.35  324.360  5231.59  229.294  128.477   4.3714  134.374   2.9545 -5.897369 5.276182 
1 1 1    5   32  -21 o  104.938   2.6027  3199.60  157.688  3179.47  225.514  3218.86  220.576  104.605   3.7328  105.270   3.6280 -0.6640778 5.205408 
1 1 1    5   33  -21 o   58.561   5.1546  988.168  158.279  1091.48  299.629  948.180  186.410   60.305   8.6028   56.817   5.6808 3.488678 10.30922 
1 1 1    5   34  -21 o   41.210   7.1870  515.403  159.879  618.646  290.403  470.500  191.515   43.704   11.390   38.716   8.7686 4.988400 14.37409 
1 1 1    5   35  -21 o  136.625   3.0800  5467.81  242.543  5443.20  332.302  5495.87  354.819  136.357   4.2196  136.893   4.4879 -0.5360870 6.160022 
1 1 1    5   36  -21 o   77.383   3.0722  1766.14  136.805  1884.89  190.383  1639.36  196.716   80.153   4.1127   74.614   4.5649 5.538589 6.144328 
1 1 1    5   37  -21 o   58.744   4.8744  1007.39  155.029  1182.38  280.007  930.042  186.166   61.813   7.8434   55.675   5.7897 6.137959 9.748786 
1 1 1    5   38  -21 o  116.595   2.7113  3902.88  155.237  3811.20  176.911  4209.78  323.676  114.303   2.6799  118.887   4.7140 -4.583305 5.422517 
1 1 1    5   39  -21 o   72.300   4.1265  1567.34  163.638  1507.59  200.660  1685.95  282.740   70.849   4.9039   73.750   6.6380 -2.900833 8.252973 
1 1 1    5   40  -21 o   89.178   4.0726  2368.51  209.757   0.0000   0.0000  2368.51  209.757  ?   ?    89.178   4.0726      ?      ? 
1 1 1    5   41  -21 f   26.475   7.3468  156.983  137.906   98.812  154.823  380.392  303.411   20.877   8.3917   32.074   12.061 -11.19661 14.69355 
1 1 1    5   42  -21 o   19.202   6.6008 -377.0226  219.259 -517.5818  280.288 -155.3777  351.968   16.084   7.9745   22.320   10.521 -6.236038 13.20159 
1 1 1    5   43  -21 o   83.853   4.5920  2139.82  222.387  2139.82  222.387   0.0000   0.0000   83.853   4.5920  ?   ?       ?      ? 
1 1 1    5   44  -21 f   24.334   7.3541  159.285  178.215  176.743  217.395  123.511  311.192   24.103   9.8500   24.565   10.923 -0.4613190 14.70828 
1 1 1    5    0  -22 o  107.296   2.6334  3269.24  154.356  3553.69  269.048  3129.68  188.456  110.650   4.2241  103.941   3.1459 -0.000000 0.000000 
1 1 1    5    1  -22 o  191.287   1.3299 10575.03  135.941 10554.96  243.893 10584.08  163.733  191.144   2.2093  191.429   1.4810 -0.2853546 2.659737 
1 1 1    5    2  -22 o  121.995   1.5965  4309.80  111.674  4210.81  167.303  4389.34  149.977  120.725   2.3995  123.265   2.1067 -2.539726 3.193071 
1 1 1    5    3  -22 o   59.622   2.7412  1027.91   94.367  1026.21  134.885  1029.54  132.071   59.573   3.9204   59.671   3.8323 -0.9853745E-01 5.482307 
1 1 1    5    4  -22 o  187.092   1.3121 10081.40  134.797 10206.83  230.178 10015.93  166.295  187.967   2.1203  186.218   1.5462 1.748596 2.624217 
1 1 1    5    5  -22 o  231.040   1.8360 15382.28  225.769 15316.97  270.709 15531.48  409.169  230.264   2.0356  231.816   3.0562 -1.551422 3.672018 
1 1 1    5    6  -22 o   99.658   1.9726  2892.44  112.412  2680.79  167.500  3065.89  151.630   96.309   3.0114  103.007   2.5488 -6.698135 3.945201 
1 1 1    5    7  -22 o  262.160   1.4607 19859.51  215.971 19834.79  344.714 19875.49  277.098  262.014   2.2780  262.307   1.8291 -0.2925720 2.921437 
1 1 1    5    8  -22 o   90.425   2.3159  2365.85  120.696  2397.69  166.063  2330.20  175.726   91.074   3.1571   89.776   3.3891 1.297928 4.631804 
1 1 1    5    9  -22 o  114.316   2.5473  3782.65  159.345  3767.75  272.931  3790.35  196.268  114.120   4.1410  114.513   2.9676 -0.3933792 5.094574 
1 1 1    5   10  -22 o  190.057   1.7588 10483.94  168.726 10344.46  331.667 10532.64  195.981  189.168   3.0358  190.947   1.7771 -1.778900 3.517681 
1 1 1    5   11  -22 o  128.385   1.6723  4772.75  123.485  4881.12  168.273  4646.27  181.777  129.972   2.2417  126.798   2.4822 3.173958 3.344652 
1 1 1    5   12  -22 o  148.658   1.7539  6385.90  150.521  6415.06  216.169  6358.45  209.717  148.986   2.5122  148.331   2.4480 0.6557770 3.507736 
1 1 1    5   13  -22 o  128.966   2.3487  4833.53  164.436  4741.21  285.068  4879.56  201.302  128.004   3.8560  129.927   2.6827 -1.922409 4.697386 
1 1 1    5   14  -22 o  121.336   1.8944  4257.13  132.628  4224.90  191.342  4286.94  184.002  120.890   2.7405  121.781   2.6161 -0.8903427 3.788748 
1 1 1    5   15  -22 o   72.552   3.8263  1584.48  121.894  1438.83  283.692  1617.46  134.990   70.320   6.9852   74.784   3.1254 -4.463654 7.652572 
1 1 1    5   16  -22 o   55.860   4.8788  914.320  120.347  898.546  283.608  917.784  132.907   55.423   8.8602   56.298   4.0876 -0.8751183 9.757671 
1 1 1    5   17  -22 o  213.745   1.8814 13181.76  217.283 13131.34  263.918 13287.83  382.800  213.159   2.1438  214.332   3.0924 -1.173538 3.762835 
1 1 1    5   18  -22 o  122.184   2.4341  4325.22  157.126  4308.37  287.467  4332.39  187.636  121.961   4.0811  122.407   2.6541 -0.4464722 4.868286 
1 1 1    5   19  -22 o  206.646   2.3107 12343.74  275.777 12343.74  275.777   0.0000   0.0000  206.646   2.3107  ?   ?       ?      ? 
1 1 1    5   20  -22 o  104.238   2.4071  3137.66  144.752  3323.74  210.474  2970.65  199.395  107.164   3.4007  101.312   3.4078 5.852524 4.814271 
1 1 1    5   21  -22 o   72.596   3.0800  1514.88  126.330  1468.85  161.496  1587.44  202.787   71.212   3.9266   73.980   4.7462 -2.767441 6.159925 
1 1 1    5   22  -22 o   80.562   2.4297  1876.22  112.635  1906.07  167.188  1851.41  152.415   81.141   3.5676   79.983   3.2995 1.157326 4.859476 
1 1 1    5   23  -22 o  129.491   2.0665  4855.81  153.396  4807.61  230.882  4893.89  205.243  128.900   3.1013  130.081   2.7319 -1.180511 4.133011 
1 1 1    5   24  -22 o   77.587   2.9908  1761.60  132.544  1605.25  197.098  1890.69  179.085   74.388   4.5877   80.786   3.8383 -6.398460 5.981575 
1 1 1    5   25  -22 o  235.835   1.6518 16076.98  224.600 16009.10  308.516 16153.52  327.608  235.314   2.2701  236.356   2.4000 -1.042465 3.303505 
1 1 1    5   26  -22 o  122.158   1.9013  4326.52  131.805  4264.84  205.775  4369.42  171.636  121.397   2.9350  122.919   2.4177 -1.521805 3.802540 
1 1 1    5   27  -22 o  124.177   2.4721  4413.71  165.166  4322.09  199.078  4616.04  295.848  122.207   2.8206  126.148   4.0607 -3.940376 4.944228 
1 1 1    5   28  -22 o   62.741   4.4486  1023.64  127.885  951.596  140.575  1369.49  308.003   57.248   4.2517   68.235   7.8157 -10.98684 8.897281 
1 1 1    5   29  -22 o  144.161   2.5270  5992.57  192.634  6115.04  353.875  5940.99  229.640  145.077   4.2234  143.245   2.7758 1.832016 5.053940 
1 1 1    5   30  -22 o  154.990   2.1287  6949.22  190.546  6949.22  190.546   0.0000   0.0000  154.990   2.1287  ?   ?       ?      ? 
1 1 1    5   31  -22 o   71.330   3.6079  1403.70  116.361  1624.16  276.456  1356.24  128.278   74.294   6.4430   68.367   3.2488 5.926956 7.215756 
1 1 1    5   32  -22 o   74.421   2.8073  1532.74  107.733  1793.25  212.738  1442.89  124.938   78.334   4.7023   70.507   3.0681 7.827354 5.614692 
1 1 1    5   33  -22 o   83.066   3.5133  2018.03  163.531  2051.46  266.444  1997.83  207.133   83.461   5.5276   82.672   4.3381 0.7883377 7.026670 
1 1 1    5   34  -22 f   73.353   4.1037  1647.11  145.357  1495.66  296.490  1695.03  166.775   70.520   7.2797   76.187   3.7902 -5.667610 8.207327 
1 1 1    5   35  -22 o   20.746   6.3279   3.0600  138.655   45.350  199.057 -36.7972  193.248   21.936   9.2327   19.557   8.6561 2.378580 12.65585 
1 1 1    5   36  -22 o   52.743   6.0419  837.437  184.044  837.437  184.044   0.0000   0.0000   52.743   6.0419  ?   ?       ?      ? 
1 1 1    5   37  -22 o  124.694   2.1965  4553.88  158.036  4470.89  227.135  4631.77  220.027  123.550   3.1831  125.838   3.0275 -2.287636 4.392931 
1 1 1    5   38  -22 o   87.603   3.9637  2332.42  199.731  2345.56  271.274  2316.86  295.158   88.078   5.3328   87.128   5.8656 0.9499130 7.927417 
1 1 1    5   39  -22 o   70.851   3.8022  1526.46  136.445  1529.74  265.347  1525.28  159.090   70.011   6.5624   71.691   3.8423 -1.680000 7.604469 
1 1 1    5   40  -22 f   65.623   5.1831  1479.10  132.427  1218.76  335.087  1527.29  144.162   59.406   9.7665   71.840   3.4746 -12.43315 10.36614 
1 1 1    5   41  -22 o   19.785   6.4054 -60.7162  164.504 -232.6630  287.227   23.218  200.677   19.286   9.2093   20.284   8.9054 -0.9976788 12.81083 
1 1 1    5   42  -22 o   72.834   3.4495  1616.03  141.828  1588.61  181.897  1658.56  226.514   72.473   4.3457   73.195   5.3583 -0.7219772 6.899026 
1 1 1    5   43  -22 o   69.903   3.5278  1521.19  137.081  1551.49  173.524  1470.89  223.576   71.512   4.2014   68.294   5.6683 3.218010 7.055614 
1 1 1    5    0  -23 o  195.988   1.9430 11133.30  205.844 11189.84  250.803 11016.63  360.307  196.787   2.2074  195.188   3.1981 -0.000000 0.000000 
1 1 1    5    1  -23 o  186.496   1.6663 10033.85  160.919 10085.54  305.251 10013.96  189.371  186.804   2.8293  186.189   1.7611 0.6153412 3.332646 
1 1 1    5    2  -23 o  266.852   1.3723 20621.51  200.621 20414.42  342.288 20729.87  247.611  265.812   2.2296  267.892   1.6004 -2.080719 2.744531 
1 1 1    5    3  -23 o  114.062   1.7204  3792.84  111.594  3548.42  170.394  3976.43  147.670  110.808   2.6625  117.316   2.1795 -6.507645 3.440822 
1 1 1    5    4  -23 o  108.948   2.4499  3454.71  134.369  3386.31  264.714  3478.45  155.954  108.181   4.2368  109.715   2.4612 -1.534790 4.899816 
1 1 1    5    5  -23 o   33.285   6.1477  375.553  114.241  436.510  127.806  133.256  254.810   38.807   5.7024   27.764   10.893 11.04331 12.29538 
1 1 1    5    6  -23 o  237.111   1.5822 16244.21  216.621 16271.82  309.957 16217.86  302.864  237.306   2.2616  236.915   2.2134 0.3907471 3.164485 
1 1 1    5    7  -23 f  165.424   1.5366  7877.38  142.477  8028.10  232.363  7786.58  180.362  166.676   2.4138  164.172   1.9022 2.504044 3.073280 
1 1 1    5    8  -23 o  269.273   1.3141 20943.62  204.326 21142.78  292.233 20753.14  285.796  270.525   1.8704  268.022   1.8463 2.502808 2.628162 
1 1 1    5    9  -23 o  158.504   1.4955  7306.44  133.211  7472.16  170.855  7049.52  212.733  160.823   1.8395  156.186   2.3584 4.637131 2.990908 
1 1 1    5   10  -23 o   86.139   3.1631  2107.82  141.686  2056.89  166.331  2242.51  270.491   84.328   3.4152   87.949   5.3252 -3.620750 6.326223 
1 1 1    5   11  -23 o   92.422   2.1872  2472.37  116.253  2444.59  172.017  2495.72  157.725   91.937   3.2396   92.906   2.9395 -0.9689865 4.374437 
1 1 1    5   12  -23 f  118.533   1.9330  4056.07  132.117  4161.44  193.316  3963.73  180.978  119.973   2.7900  117.094   2.6761 2.878937 3.865944 
1 1 1    5   13  -23 o  294.339   1.5309 25071.04  255.011 25209.79  329.750 24864.59  402.235  295.376   1.9330  293.302   2.3745 2.074524 3.061831 
1 1 1    5   14  -23 o  216.424   1.9113 13358.05  198.625 13876.26  425.269 13213.46  224.632  218.999   3.3623  213.850   1.8188 5.149002 3.822695 
1 1 1    5   15  -23 o   70.705   3.9296  1462.02  147.268  1478.37  176.764  1424.91  266.271   71.434   4.2845   69.976   6.5885 1.458237 7.859118 
1 1 1    5   16  -23 o  188.782   2.2892 10301.34  249.586   0.0000   0.0000 10301.34  249.586  ?   ?   188.782   2.2892      ?      ? 
1 1 1    5   17  -23 o   88.726   2.4257  2246.37  118.445  2382.73  203.435  2176.44  145.683   90.707   3.8833   86.746   2.9079 3.961136 4.851369 
1 1 1    5   18  -23 o  268.173   1.6440 20795.96  253.698 20710.97  374.731 20867.87  344.711  267.655   2.4241  268.692   2.2213 -1.036407 3.287988 
1 1 1    5   19  -23 o  135.293   1.5965  5298.98  123.116  5241.25  189.575  5341.08  161.906  134.644   2.4379  135.943   2.0622 -1.298782 3.193062 
1 1 1    5   20  -23 o  273.658   2.1837 21799.31  324.674 22063.92  398.060 21273.39  561.178  276.245   2.4950  271.072   3.5845 5.172821 4.367350 
1 1 1    5   21  -23 o  177.466   2.2348  9076.46  206.979  9027.72  244.626  9199.26  388.317  176.708   2.3970  178.224   3.7726 -1.515930 4.469631 
1 1 1    5   22  -23 o  204.471   2.1361 12172.01  232.639 11900.57  417.570 12294.19  280.143  202.730   3.5664  206.213   2.3522 -3.483337 4.272234 
1 1 1    5   23  -23 o   98.762   2.8791  2739.61  142.983  3006.35  289.848  2653.82  164.374  101.755   4.9321   95.769   2.9718 5.985199 5.758237 
1 1 1    5   24  -23 f  158.904   2.2828  7266.11  168.421  7383.84  375.436  7236.45  188.447  159.587   4.0734  158.221   2.0622 1.366379 4.565646 
1 1 1    5   25  -23 o   39.510   6.9355  535.088  151.613  621.678  173.582  256.494  311.355   46.144   6.5133   32.876   12.247 13.26849 13.87100 
1 1 1    5   26  -23 o  165.516   1.6047  7910.34  151.874  7836.29  200.660  8009.65  232.380  164.627   2.1104  166.405   2.4179 -1.778046 3.209430 
1 1 1    5   27  -23 o   67.657   3.4713  1324.86  132.717  1366.08  212.160  1298.36  170.110   68.467   5.3653   66.848   4.4061 1.619690 6.942672 
1 1 1    5   28  -23 o   72.820   3.2674  1551.63  133.232  1506.81  215.036  1579.57  169.738   71.891   5.1790   73.750   3.9850 -1.858482 6.534752 
1 1 1    5   29  -23 o   96.010   2.8755  2689.56  158.690  2559.87  232.550  2802.59  217.089   93.799   4.2927   98.221   3.8269 -4.421761 5.750906 
1 1 1    5   30  -23 o   76.149   3.0963  1697.82  129.717  1716.79  161.174  1662.95  218.557   76.864   3.6307   75.435   5.0165 1.428490 6.192551 
1 1 1    5   31  -23 o  105.976   2.9869  3248.85  149.424  3229.12  168.170  3322.84  325.675  105.520   2.7595  106.432   5.2982 -0.9116898 5.973751 
1 1 1    5   32  -23 o   92.550   2.8993  2506.99  154.607  2377.92  222.366  2627.77  215.109   90.195   4.2687   94.904   3.9245 -4.708679 5.798630 
1 1 1    5   33  -23 o  104.843   3.3797  3271.15  161.427  3167.46  363.056  3296.70  180.221  103.205   6.0910  106.480   2.9306 -3.275352 6.759322 
1 1 1    5   34  -23 o   29.648   7.3754  263.475  154.232  281.690  192.754  231.061  257.136   29.989   9.7317   29.306   11.085 0.6829891 14.75075 
1 1 1    5   35  -23 o   44.091   6.1330  643.109  137.910  565.783  255.490  674.904  163.828   40.831   10.704   47.350   5.9907 -6.519508 12.26609 
1 1 1    5   36  -23 o   72.741   3.2529  1582.05  133.275  1534.11  211.344  1613.70  171.725   71.572   5.1129   73.910   4.0230 -2.338409 6.505796 
1 1 1    5   37  -23 o   80.909   3.0122  1961.86  139.593  2162.69  193.122  1742.13  202.007   85.463   3.9126   76.355   4.5808 9.107864 6.024342 
1 1 1    5   38  -23 o   84.950   2.9865  2187.97  143.623  2392.17  191.538  1925.69  217.077   89.877   3.6900   80.024   4.6969 9.852844 5.972990 
1 1 1    5   39  -23 o   46.085   6.5413  619.350  138.939  951.108  324.999  545.157  153.692   50.424   11.424   41.746   6.3746 8.678555 13.08254 
1 1 1    5   40  -23 o   41.049   5.2777  551.174  117.933  561.420  193.480  545.117  148.762   40.389   8.5603   41.709   6.1756 -1.319355 10.55542 
1 1 1    5   41  -23 o   64.921   4.0381  1306.14  150.589  1226.80  200.758  1408.22  227.706   62.833   5.5322   67.009   5.8838 -4.176075 8.076147 
1 1 1    5   42  -23 o   43.531   5.4703  604.366  130.429  820.480  223.297  492.449  160.690   49.182   7.8612   37.880   7.6092 11.30227 10.94065 
1 1 1    5    0  -24 o  109.126   2.9263  3459.67  183.309  3427.90  268.800  3487.30  250.627  108.632   4.2997  109.620   3.9705 -0.000000 0.000000 
1 1 1    5    1  -24 o  198.804   1.8083 11472.26  175.180 11331.43  362.817 11515.08  200.042  197.958   3.1734  199.650   1.7349 -1.691437 3.616687 
1 1 1    5    2  -24 o  150.261   1.6231  6521.32  140.543  6476.76  192.130  6572.60  206.122  149.712   2.2220  150.809   2.3665 -1.096893 3.246212 
1 1 1    5    3  -24 o  142.960   2.0095  5905.03  165.917  5905.03  165.917   0.0000   0.0000  142.960   2.0095  ?   ?       ?      ? 
1 1 1    5    4  -24 o  140.267   1.6219  5686.33  126.031  5683.21  210.394  5688.08  157.394  140.222   2.5980  140.311   1.9423 -0.8892822E-01 3.243734 
1 1 1    5    5  -24 o  160.275   1.7290  7428.48  159.954  7614.31  224.404  7236.56  228.059  162.316   2.3938  158.233   2.4955 4.083084 3.458019 
1 1 1    5    6  -24 o  185.108   1.3029  9895.60  139.091  9825.43  191.387  9974.16  202.491  184.415   1.7969  185.801   1.8870 -1.386047 2.605714 
1 1 1    5    7  -24 o  213.942   1.8769 13245.83  220.432 13184.62  374.992 13278.16  272.480  213.529   3.0407  214.355   2.2010 -0.8265686 3.753725 
1 1 1    5    8  -24 o  143.127   1.5996  5915.79  129.009  5899.96  165.135  5940.57  206.668  142.894   2.0010  143.360   2.4961 -0.4662170 3.199115 
1 1 1    5    9  -24 o  168.980   1.3613  8248.95  132.821  8180.80  185.556  8320.56  190.204  168.265   1.9094  169.695   1.9407 -1.429581 2.722543 
1 1 1    5   10  -24 o   49.314   3.5148  728.985   96.690  547.873  142.894  881.945  131.320   43.441   5.6955   55.187   4.1201 -11.74565 7.029508 
1 1 1    5   11  -24 o  114.204   2.4615  3717.05  132.238  3676.60  148.395  3873.07  291.422  112.785   2.2781  115.622   4.3641 -2.837219 4.922937 
1 1 1    5   12  -24 o  215.002   1.3931 13369.21  171.128 13435.91  226.367 13280.24  261.423  215.640   1.8176  214.365   2.1116 1.274750 2.786109 
1 1 1    5   13  -24 o   69.273   3.0893  1400.72  118.330  1354.73  196.654  1426.81  148.151   68.339   4.9825   70.207   3.6538 -1.867691 6.178652 
1 1 1    5   14  -24 o   14.152   4.8057 -236.5135  109.029 -156.3338  174.733 -287.6350  139.523   16.404   7.6279   11.899   5.8476 4.504962 9.611388 
1 1 1    5   15  -24 o  130.999   2.5322  5066.84  164.540  4773.57  327.935  5165.51  190.217  128.331   4.4246  133.668   2.4640 -5.336899 5.064393 
1 1 1    5   16  -24 o   42.335   5.1658  515.937  122.079  448.861  156.833  619.062  194.463   38.607   7.3012   46.062   7.3099 -7.454697 10.33155 
1 1 1    5   17  -24 o  326.697   1.6199 30848.59  301.391 30827.20  394.638 30878.51  466.874  326.590   2.0922  326.805   2.4736 -0.2156677 3.239758 
1 1 1    5   18  -24 o   87.260   2.3743  2197.98  119.157  2264.26  177.891  2144.04  160.478   88.442   3.4826   86.077   3.2281 2.365204 4.748604 
1 1 1    5   19  -24 o  101.541   2.8105  2967.09  162.557  3104.73  254.116  2871.75  211.491  103.497   4.2513   99.585   3.6772 3.912468 5.620909 
1 1 1    5   20  -24 o   77.227   2.7579  1727.29  122.738  1885.84  175.837  1576.65  171.402   80.690   3.7732   73.764   4.0233 6.925850 5.515814 
1 1 1    5   21  -24 o  169.818   1.4640  8325.06  142.792  8434.08  214.092  8237.71  191.646  170.810   2.1702  168.826   1.9655 1.984268 2.927974 
1 1 1    5   22  -24 o   26.335   5.8800  201.576  102.109  140.679  154.266  249.060  136.221   23.950   8.6705   28.719   7.9448 -4.769167 11.75997 
1 1 1    5   23  -24 o  120.664   2.2940  4204.08  159.308  4084.70  215.196  4348.84  236.965  118.785   3.1368  122.544   3.3482 -3.759247 4.587998 
1 1 1    5   24  -24 o   28.856   7.9974  151.855  198.195  255.903  242.461 -57.6750  344.070   30.997   10.910   26.715   11.697 4.282454 15.99475 
1 1 1    5   25  -24 o  128.869   2.1397  4797.58  158.155  4904.08  239.237  4714.89  210.786  130.118   3.1835  127.621   2.8598 2.496910 4.279383 
1 1 1    5   26  -24 o   99.134   2.6420  2849.83  151.117  2820.73  208.678  2881.92  219.130   98.611   3.6641   99.657   3.8072 -1.046028 5.283991 
1 1 1    5   27  -24 o   57.741   5.2780  948.046  168.911  1107.55  290.492  866.567  207.618   61.151   8.2251   54.331   6.6165 6.820118 10.55610 
1 1 1    5   28  -24 o   50.569   4.5884  771.152  130.004  577.687  188.127  947.986  179.859   44.209   7.3680   56.928   5.4705 -12.71818 9.176797 
1 1 1    5   29  -24 o   42.421   4.2902  521.723  103.901  482.332  135.189  578.566  162.400   40.529   5.7755   44.313   6.3456 -3.783474 8.580351 
1 1 1    5   30  -24 o  165.192   2.1605  7799.63  185.876  7641.42  218.654  8211.88  352.953  162.409   2.3311  167.975   3.6382 -5.565750 4.320948 
1 1 1    5   31  -24 o  111.812   2.6419  3721.32  138.422  3777.84  156.224  3514.84  298.590  114.153   2.3696  109.471   4.7227 4.682747 5.283847 
1 1 1    5   32  -24 o  113.159   2.7324  3854.03  122.044  3897.07  131.686  3591.96  324.921  115.982   1.9659  110.335   5.0989 5.646835 5.464786 
1 1 1    5   33  -24 o  135.171   2.3715  5261.50  147.018  5460.07  334.147  5213.83  163.716  136.275   4.2456  134.068   2.1144 2.206573 4.742946 
1 1 1    5   34  -24 o   28.941   7.0153  191.721  153.979   10.505  197.931  469.500  245.057   20.724   8.9748   37.157   10.785 -16.43221 14.03051 
1 1 1    5   35  -24 o   84.229   4.2824  2103.13  208.320   0.0000   0.0000  2103.13  208.320  ?   ?    84.229   4.2824      ?      ? 
1 1 1    5   36  -24 o   74.016   3.0084  1612.08  127.696  1484.79  168.811  1782.35  195.237   70.699   4.1343   77.332   4.3713 -6.633812 6.016750 
1 1 1    5   37  -24 o   35.303   7.2430  460.791  150.895  371.768  297.256  491.694  175.137   32.226   11.974   38.379   8.1530 -6.152164 14.48598 
1 1 1    5   38  -24 o   27.841   6.8923  270.092  153.433 -30.9851  297.127  379.568  179.170   22.749   10.343   32.932   9.1120 -10.18290 13.78460 
1 1 1    5   39  -24 o   40.918   7.9765  631.339  192.391  740.462  301.096  556.044  250.108   43.512   11.719   38.325   10.824 5.187038 15.95292 
1 1 1    5   40  -24 o   76.709   3.3218  1763.10  145.671  2001.71  226.581  1594.99  190.186   80.932   4.8475   72.487   4.5429 8.445038 6.643533 
1 1 1    5   41  -24 o   15.712   5.3182 -181.7499  136.581 -180.6707  202.367 -182.6527  185.098   16.137   7.7123   15.287   7.3249 0.8493576 10.63641 
1 1 1    5    0  -25 o   12.572   6.2894 -387.4975  188.436 -138.4415  260.831 -659.4009  272.532   14.863   10.090   10.281   7.5108 -0.000000 0.000000 
1 1 1    5    1  -25 o  163.825   1.4878  7778.30  130.653  7816.62  157.937  7695.21  232.547  164.488   1.6625  163.162   2.4678 1.326096 2.975538 
1 1 1    5    2  -25 o  291.625   2.0071 24647.11  313.273 24741.70  378.112 24440.03  559.457  292.591   2.2376  290.659   3.3327 1.932404 4.014179 
1 1 1    5    3  -25 o  205.898   1.2687 12259.75  150.484 12084.09  220.014 12414.16  206.282  204.506   1.8628  207.289   1.7231 -2.782654 2.537486 
1 1 1    5    4  -25 o  135.851   1.7395  5335.77  135.276  5342.11  179.816  5327.50  205.333  135.954   2.2901  135.749   2.6190 0.2041779 3.479032 
1 1 1    5    5  -25 o  120.176   1.7693  4130.95  120.584  3955.71  154.954  4400.01  192.005  116.988   2.2934  123.363   2.6949 -6.374557 3.538646 
1 1 1    5    6  -25 o  107.023   1.9742  3309.61  120.488  3297.04  158.194  3326.99  185.942  106.792   2.5649  107.254   3.0018 -0.4616241 3.948314 
1 1 1    5    7  -25 f  145.277   1.5914  6141.70  119.528  6194.42  140.900  6006.36  225.742  146.426   1.6661  144.128   2.7119 2.297348 3.182845 
1 1 1    5    8  -25 o  105.216   2.0755  3200.63  123.235  3206.77  196.497  3196.65  158.219  105.282   3.2316  105.150   2.6053 0.1321869 4.151026 
1 1 1    5    9  -25 o   20.771   5.7536   69.779  102.792  119.916  137.511   6.2810  154.752   22.430   8.1760   19.111   8.0974 3.318613 11.50716 
1 1 1    5   10  -25 o  139.612   2.0139  5669.26  156.217  5757.87  196.614  5517.55  257.268  141.130   2.4122  138.095   3.2257 3.035126 4.027870 
1 1 1    5   11  -25 o  247.837   1.4529 17751.90  205.682 17754.12  271.517 17748.91  315.078  247.870   1.8966  247.805   2.2015 0.6556702E-01 2.905853 
1 1 1    5   12  -25 o  144.697   1.5707  6014.47  127.444  6205.52  208.206  5900.00  161.164  146.507   2.4606  142.886   1.9530 3.621460 3.141463 
1 1 1    5   13  -25 o  123.591   2.1453  4411.62  152.485  4494.76  227.236  4343.52  205.667  124.640   3.1567  122.543   2.9060 2.096825 4.290640 
1 1 1    5   14  -25 o  380.991   2.3439 42023.78  495.133 42067.07  619.150 41946.97  824.667  381.379   2.8110  380.604   3.7516 0.7750549 4.687876 
1 1 1    5   15  -25 o   69.858   2.8591  1408.22  112.148  1437.60  182.093  1390.27  142.349   70.417   4.4774   69.299   3.5567 1.118301 5.718147 
1 1 1    5   16  -25 o  193.901   1.5978 10876.33  175.982 10913.00  229.221 10823.69  274.644  194.317   2.0425  193.484   2.4578 0.8331909 3.195672 
1 1 1    5   17  -25 o   69.051   4.4012  1409.60  136.206  1422.74  151.276  1353.34  313.048   70.090   3.7370   68.012   7.9696 2.077972 8.802301 
1 1 1    5   18  -25 o  126.689   2.2778  4578.08  154.537  4470.34  185.398  4823.36  279.725  124.332   2.5819  129.046   3.7532 -4.713608 4.555516 
1 1 1    5   19  -25 o  156.690   1.6900  7099.77  151.335  7104.67  200.092  7093.22  231.329  156.768   2.2100  156.612   2.5575 0.1553802 3.380073 
1 1 1    5   20  -25 o  125.338   2.1383  4485.06  147.978  4344.87  182.707  4752.37  252.288  122.566   2.5811  128.110   3.4098 -5.543869 4.276530 
1 1 1    5   21  -25 o   18.610   6.0416 -87.8102  129.967 -570.6686  329.078   1.4239  141.467   19.114   9.3044   18.106   7.7093 1.008591 12.08325 
1 1 1    5   22  -25 f   14.613   7.0093 -241.9557  170.490   0.0000   0.0000 -241.9557  170.490  ?   ?    14.613   7.0093      ?      ? 
1 1 1    5   23  -25 o  122.087   2.6969  4212.84  148.172  4499.89  348.222  4149.38  163.734  124.401   4.8467  119.772   2.3670 4.629204 5.393811 
1 1 1    5   24  -25 o   53.440   4.5610  850.969  118.525  807.197  242.967  864.638  135.777   52.324   8.0400   54.555   4.3093 -2.230598 9.122041 
1 1 1    5   25  -25 o   65.029   3.7613  1233.14  141.123  1222.72  194.903  1244.62  204.605   64.754   5.2116   65.305   5.4248 -0.5510254 7.522588 
1 1 1    5   26  -25 o   55.977   4.5415  977.873  128.639  1054.23  153.019  793.857  237.545   60.184   4.4023   51.770   7.9448 8.414314 9.082973 
1 1 1    5   27  -25 o   14.989   5.1686 -367.4267  137.503 -466.1658  177.171 -217.8709  218.048   12.250   6.1167   17.729   8.3334 -5.479223 10.33729 
1 1 1    5   28  -25 o  120.063   2.6114  4127.63  175.220  4450.07  291.321  3944.86  219.327  123.582   4.0816  116.545   3.2585 7.037163 5.222763 
1 1 1    5   29  -25 o  146.369   2.3249  6068.54  161.835  5950.08  182.025  6515.38  353.538  143.324   2.1990  149.414   4.0969 -6.090378 4.649782 
1 1 1    5   30  -25 o   29.063   7.5391  228.201  162.578  235.313  205.336  216.251  266.161   28.646   10.042   29.480   11.247 -0.8337841 15.07821 
1 1 1    5   31  -25 o  157.000   1.9603  7142.23  177.747  7142.23  177.747   0.0000   0.0000  157.000   1.9603  ?   ?       ?      ? 
1 1 1    5   32  -25 o   26.345   7.9540  217.356  131.182  217.356  131.182   0.0000   0.0000   26.345   7.9540  ?   ?       ?      ? 
1 1 1    5   33  -25 o   80.501   2.9905  1980.77  130.274  2135.35  162.495  1702.69  217.954   85.404   3.2944   75.598   4.9919 9.805908 5.981015 
1 1 1    5   34  -25 o  137.693   2.5270  5492.15  183.336  5795.61  340.986  5368.75  217.439  139.815   4.2228  135.571   2.7771 4.243988 5.054083 
1 1 1    5   35  -25 o   43.516   5.2511  572.694  131.972   0.0000   0.0000  572.694  131.972  ?   ?    43.516   5.2511      ?      ? 
1 1 1    5   36  -25 o   37.488   7.6068  550.294  173.512  612.932  200.808  365.722  344.702   42.745   8.4337   32.232   12.662 10.51345 15.21365 
1 1 1    5   37  -25 o   47.363   4.3908  699.668  120.062  681.068  170.172  718.103  169.416   46.678   6.3124   48.048   6.1051 -1.370720 8.781697 
1 1 1    5   38  -25 o   61.510   6.0793  1284.19  181.705  1296.72  212.943  1250.62  348.490   64.687   5.6998   58.333   10.740 6.354435 12.15862 
1 1 1    5   39  -25 o   98.439   2.7525  2913.57  155.746  3029.64  213.140  2780.59  228.140  100.755   3.6628   96.122   4.1095 4.632256 5.504930 
1 1 1    5   40  -25 o   31.308   9.0571  361.859  173.093   0.0000   0.0000  361.859  173.093  ?   ?    31.308   9.0571      ?      ? 
1 1 1    5    0  -26 f   67.682   4.5111  1330.15  170.037  1545.83  271.324  1190.66  218.201   72.123   6.6433   63.241   6.1047 -0.000000 0.000000 
1 1 1    5    1  -26 o  162.366   1.5433  7630.77  141.809  7562.36  223.622  7676.78  183.401  161.742   2.3939  162.990   1.9483 -1.247803 3.086525 
1 1 1    5    2  -26 o   26.650   5.9494  205.466  100.593  188.435  166.124  215.327  126.402   26.439   9.0450   26.861   7.7309 -0.4220886 11.89872 
1 1 1    5    3  -26 o  181.887   1.3474  9558.86  141.447  9535.54  196.337  9584.03  203.954  181.658   1.8714  182.115   1.9391 -0.4570007 2.694846 
1 1 1    5    4  -26 o  129.747   2.4741  4872.86  152.683  4871.33  328.042  4873.28  172.508  129.650   4.3810  129.843   2.3004 -0.1930237 4.948202 
1 1 1    5    5  -26 o  209.623   1.3409 12677.08  154.417 12764.64  263.062 12631.06  190.735  210.153   2.1674  209.094   1.5794 1.059433 2.681834 
1 1 1    5    6  -26 o  124.786   1.9155  4503.62  138.021  4453.56  196.350  4552.52  194.054  124.099   2.7395  125.474   2.6778 -1.375237 3.830905 
1 1 1    5    7  -26 o   65.202   4.1257  1240.57  127.812  1226.82  273.996  1244.40  144.496   64.849   7.3157   65.554   3.8166 -0.7048187 8.251365 
1 1 1    5    8  -26 o   74.544   3.0707  1610.48  132.032  1609.99  191.613  1610.93  182.186   74.526   4.4518   74.561   4.2307 -0.3545380E-01 6.141448 
1 1 1    5    9  -26 o  215.053   1.4477 13375.89  175.513 13411.79  225.127 13320.26  280.256  215.441   1.8093  214.666   2.2605 0.7745819 2.895432 
1 1 1    5   10  -26 o  186.034   2.4553 10022.30  262.030 10058.80  351.146  9976.45  393.613  186.442   3.2611  185.626   3.6715 0.8162994 4.910662 
1 1 1    5   11  -26 o  195.083   1.6370 11026.69  183.326 10757.97  272.887 11247.72  247.493  192.899   2.4494  197.266   2.1723 -4.366898 3.273951 
1 1 1    5   12  -26 o  107.950   2.9531  3400.29  173.194  3306.67  299.040  3447.54  212.453  106.759   4.8500  109.141   3.3705 -2.381828 5.906126 
1 1 1    5   13  -26 o  322.219   2.2026 30004.79  385.285 29935.97  470.256 30145.30  671.984  321.765   2.5305  322.673   3.6059 -0.9083862 4.405214 
1 1 1    5   14  -26 o  108.953   2.8564  3426.24  156.863  3466.64  310.820  3412.44  181.699  109.294   4.9241  108.613   2.8966 0.6811295 5.712894 
1 1 1    5   15  -26 o  337.605   2.2570 32762.48  371.378 33399.20  774.818 32572.58  423.153  339.527   3.9513  335.683   2.1826 3.843506 4.514058 
1 1 1    5   16  -26 o  148.495   2.3870  6362.58  174.137  6423.37  358.284  6343.78  199.255  148.861   4.1674  148.128   2.3291 0.7320862 4.774055 
1 1 1    5   17  -26 o  167.150   2.2706  7998.14  202.572  8319.03  367.820  7858.43  242.695  169.457   3.7583  164.842   2.5492 4.614838 4.541287 
1 1 1    5   18  -26 o  128.164   2.3067  4835.75  151.937  4578.16  287.167  4935.90  179.052  125.676   3.9564  130.651   2.3729 -4.974457 4.613400 
1 1 1    5   19  -26 o   71.111   2.8129  1448.83  114.645  1605.74  175.886  1332.92  151.172   74.411   4.0927   67.811   3.8600 6.599518 5.625790 
1 1 1    5   20  -26 o  218.334   1.5191 13787.80  190.191 13823.63  254.439 13742.43  286.314  218.672   2.0147  217.996   2.2741 0.6761169 3.038163 
1 1 1    5   21  -26 o  122.777   1.8600  4337.49  131.408  4091.83  176.825  4640.51  196.388  118.921   2.5745  126.633   2.6852 -7.711624 3.720051 
1 1 1    5   22  -26 o  146.162   1.9627  6160.78  163.039  6315.10  255.764  6055.15  211.607  147.668   2.9989  144.657   2.5328 3.011597 3.925404 
1 1 1    5   23  -26 o   37.868   7.0981  419.670  131.008  411.257  144.508  458.491  310.427   36.827   7.0509   38.909   12.321 -2.081669 14.19623 
1 1 1    5   24  -26 o  171.979   1.6593  8549.52  163.968  8462.59  220.502  8657.04  245.238  171.020   2.2324  172.939   2.4553 -1.918167 3.318500 
1 1 1    5   25  -26 o   99.755   1.8254  2901.46  102.528  2792.29  162.732  2973.32  132.029   98.154   2.8707  101.356   2.2554 -3.202873 3.650706 
1 1 1    5   26  -26 o   69.836   3.2486  1409.79  129.999  1530.72  199.409  1320.40  171.438   72.387   4.7698   67.286   4.4116 5.100639 6.497172 
1 1 1    5   27  -26 o  133.798   1.8783  5151.11  138.005  5319.82  236.669  5064.19  169.874  135.362   3.0273  132.234   2.2243 3.128052 3.756646 
1 1 1    5   28  -26 o   17.777   5.9852 -237.8550  159.554 -127.8574  185.371 -552.3135  313.424   17.332   7.9880   18.222   8.9153 -0.8906441 11.97042 
1 1 1    5   29  -26 o   77.626   3.3285  1869.37  124.002  1590.33  250.970  1959.49  142.627   73.177   5.9383   82.076   3.0089 -8.898521 6.657068 
1 1 1    5   30  -26 o  150.833   1.9307  6631.36  167.606  6826.12  229.781  6409.92  245.013  153.256   2.5960  148.410   2.8585 4.846222 3.861423 
1 1 1    5   31  -26 o   38.220   7.3232  449.234  151.062  397.371  176.000  594.339  294.391   34.964   8.7397   41.476   11.753 -6.512215 14.64637 
1 1 1    5   32  -26 o   75.068   2.7720  1654.74  119.711  1595.09  161.185  1728.12  178.771   73.614   3.7912   76.522   4.0451 -2.907860 5.544025 
1 1 1    5   33  -26 o   29.540   6.6168  256.195  134.779  459.884  208.955  111.075  176.374   36.619   9.7187   22.460   8.9819 14.15844 13.23358 
1 1 1    5   34  -26 o  158.190   2.3122  7375.14  209.445  7263.90  316.116  7462.18  279.627  156.923   3.4880  159.457   3.0363 -2.534470 4.624441 
1 1 1    5   35  -26 o  109.623   2.8440  3519.49  166.481  3740.24  302.547  3423.61  199.381  111.433   4.7010  107.812   3.2021 3.621056 5.687953 
1 1 1    5   36  -26 o   64.565   3.1802  1239.48  116.968  1347.06  183.837  1166.31  151.615   66.725   4.7705   62.404   4.2067 4.320541 6.360322 
1 1 1    5   37  -26 o   20.794   6.4191   2.7060  150.992  146.083  219.105 -126.9656  208.370   24.028   9.8619   17.561   8.2196 6.467541 12.83821 
1 1 1    5   38  -26 o   67.904   4.9263  1395.97  163.054  1311.91  184.614  1694.14  347.689   65.456   4.8835   70.352   8.5571 -4.896446 9.852557 
1 1 1    5   39  -26 o   35.325   6.7879  478.677  143.722  534.727  192.866  408.685  215.523   38.389   8.8761   32.260   10.272 6.128963 13.57571 
1 1 1    5    0  -27 o  111.061   2.9710  3556.12  185.884  3712.52  297.768  3456.26  237.941  112.993   4.5800  109.130   3.7855 -0.000000 0.000000 
1 1 1    5    1  -27 o   98.168   2.1244  2780.88  118.775  2828.68  184.677  2747.17  155.112   98.871   3.2341   97.464   2.7556 1.407692 4.248874 
1 1 1    5    2  -27 o  229.143   1.3136 15173.00  173.454 15177.69  237.491 15167.64  253.937  229.186   1.7942  229.100   1.9192 0.8633423E-01 2.627247 
1 1 1    5    3  -27 o   77.945   3.1698  1786.32  129.709  1822.92  154.973  1700.69  237.026   79.364   3.3810   76.527   5.3628 2.836433 6.339671 
1 1 1    5    4  -27 o  182.428   1.9493  9600.07  160.629  9585.26  178.250  9664.08  370.521  182.139   1.6945  182.717   3.5111 -0.5780640 3.898652 
1 1 1    5    5  -27 o   50.541   4.0046  767.578  112.128  635.566  176.417  857.050  145.238   46.718   6.5384   54.364   4.6257 -7.646172 8.009228 
1 1 1    5    6  -27 f  141.101   2.2310  5769.99  178.733  5812.77  232.833  5708.61  278.889  141.764   2.8438  140.437   3.4385 1.327637 4.462063 
1 1 1    5    7  -27 o  115.732   2.4560  3919.73  157.769  3717.83  258.547  4039.51  199.145  113.291   3.9515  118.174   2.9179 -4.882393 4.912015 
1 1 1    5    8  -27 o  153.211   1.8001  6789.47  158.697  6813.06  215.589  6761.57  234.461  153.510   2.4317  152.912   2.6549 0.5984344 3.600192 
1 1 1    5    9  -27 o   54.054   4.3005  856.922  132.869  791.879  198.025  910.184  179.193   52.139   6.5762   55.968   5.5436 -3.829407 8.601036 
1 1 1    5   10  -27 o  191.140   1.5429 10565.79  168.490 10597.24  222.746 10523.73  257.595  191.486   2.0141  190.794   2.3377 0.6928711 3.085700 
1 1 1    5   11  -27 o   58.364   3.2348  986.629  108.663  1104.22  156.860  878.127  150.672   61.713   4.4010   55.015   4.7420 6.697395 6.469597 
1 1 1    5   12  -27 o  239.360   2.4725 16566.25  341.799 16566.25  341.799   0.0000   0.0000  239.360   2.4725  ?   ?       ?      ? 
1 1 1    5   13  -27 f  230.822   1.8861 15360.69  240.807 15578.40  404.857 15241.50  299.556  232.033   3.0211  229.611   2.2589 2.421387 3.772244 
1 1 1    5   14  -27 f  286.193   2.1105 23545.17  318.439 24080.15  588.555 23323.74  378.648  288.361   3.5340  284.026   2.3083 4.334412 4.221060 
1 1 1    5   15  -27 o   84.420   2.9372  2086.30  141.810  2289.02  194.271  1855.07  207.481   88.882   3.7845   79.959   4.4929 8.922691 5.874393 
1 1 1    5   16  -27 o  209.430   2.0408 12718.02  242.276 12830.28  314.641 12554.51  379.721  210.611   2.5867  208.250   3.1571 2.360229 4.081503 
1 1 1    5   17  -27 f   85.669   3.5390  2131.50  175.024  2052.51  243.719  2215.62  251.507   84.030   5.0219   87.309   4.9878 -3.278831 7.077981 
1 1 1    5   18  -27 o  195.803   2.2977 11143.49  233.608 11012.86  439.091 11195.07  275.896  194.873   3.9014  196.734   2.4282 -1.860748 4.595303 
1 1 1    5   19  -27 o   95.261   2.7749  2650.69  145.487  2693.98  181.051  2571.80  244.427   96.435   3.2508   94.087   4.4982 2.348000 5.549864 
1 1 1    5   20  -27 o   61.664   4.5693  1099.66  152.822  1074.96  185.580  1151.70  269.367   60.737   5.2905   62.591   7.4516 -1.853954 9.138646 
1 1 1    5   21  -27 o   24.205   6.7163   93.304  143.936 -50.0049  226.061  191.015  186.664   21.444   9.4324   26.966   9.5636 -5.522644 13.43255 
1 1 1    5   22  -27 o  123.553   2.7527  4460.52  188.901  4532.44  237.734  4337.34  311.129  125.016   3.2926  122.090   4.4124 2.925934 5.505488 
1 1 1    5   23  -27 o  170.355   1.7117  8409.72  168.053  8274.11  244.669  8530.84  231.227  169.038   2.5062  171.672   2.3321 -2.634079 3.423400 
1 1 1    5   24  -27 o   41.356   6.1514  448.698  130.162  343.979  150.725  755.863  258.141   33.351   7.9394   49.361   9.3982 -16.00983 12.30286 
1 1 1    5   25  -27 o   66.777   4.5319  1302.71  174.779  1302.71  174.779   0.0000   0.0000   66.777   4.5319  ?   ?       ?      ? 
1 1 1    5   26  -27 o   88.669   2.6408  2268.34  133.269  2421.50  209.700  2164.57  172.609   91.099   3.9856   86.239   3.4656 4.860100 5.281614 
1 1 1    5   27  -27 o   78.991   2.5765  1816.29  117.343  1972.13  169.812  1673.86  162.337   82.242   3.5751   75.740   3.7112 6.502281 5.153069 
1 1 1    5   28  -27 f   63.046   3.9647  1165.14  142.768  947.458  191.589  1436.95  214.087   56.421   5.8795   69.672   5.3204 -13.25055 7.929445 
1 1 1    5   29  -27 o   29.254   5.9022  287.400  109.728  362.571  136.100  147.794  185.476   33.968   7.1630   24.539   9.3826 9.428642 11.80432 
1 1 1    5   30  -27 o   35.187   6.0327  392.984  127.238  603.227  189.258  219.583  171.877   43.577   7.8065   26.796   9.1995 16.78134 12.06534 
1 1 1    5   31  -27 o  116.632   1.8814  4038.48  120.314  4209.27  150.243  3733.17  200.880  120.330   2.1619  112.935   3.0798 7.395767 3.762856 
1 1 1    5   32  -27 o   37.032   6.7196  492.864  144.579  559.788  179.399  368.856  244.206   41.519   7.7670   32.544   10.967 8.975044 13.43912 
1 1 1    5   33  -27 o  147.006   2.1486  6329.77  181.967  6568.63  268.804  6127.72  247.229  149.499   3.1132  144.513   2.9621 4.985138 4.297280 
1 1 1    5   34  -27 o   57.807   7.0320  1150.40  228.243  985.889  307.155  1353.24  341.072   52.447   10.506   63.166   9.3492 -10.71892 14.06391 
1 1 1    5   35  -27 o   85.345   4.8582  2306.26  225.663  2340.95  388.526  2288.60  277.216   84.482   7.9629   86.208   5.5678 -1.725784 9.716395 
1 1 1    5   36  -27 o   13.660   6.7376 -347.8744  191.000   0.0000   0.0000 -347.8744  191.000  ?   ?    13.660   6.7376      ?      ? 
1 1 1    5   37  -27 o   34.412   6.5154  408.072  134.121  608.381  213.072  276.620  172.608   41.075   9.2092   27.749   9.2191 13.32634 13.03076 
1 1 1    5   38  -27 o   53.243   5.5193  966.500  168.445  994.177  228.144  933.330  249.753   54.656   7.2274   51.829   8.3436 2.827396 11.03865 
1 1 1    5    0  -28 o  106.310   3.5100  3278.37  214.976  3278.37  214.976   0.0000   0.0000  106.310   3.5100  106.310   3.5100 -0.000000 0.000000 
1 1 1    5    1  -28 o  144.335   1.7838  5999.67  143.567  6115.23  237.179  5932.83  180.363  145.404   2.8243  143.266   2.1798 2.137817 3.567695 
1 1 1    5    2  -28 o   40.564   5.4016  514.735  119.346  607.826  155.700  382.130  185.830   45.716   5.8970   35.412   9.0517 10.30434 10.80313 
1 1 1    5    3  -28 o  134.794   1.8645  5219.11  143.171  5462.09  223.750  5050.66  186.303  137.419   2.8192  132.169   2.4406 5.249893 3.728910 
1 1 1    5    4  -28 o   18.809   6.1381 -118.0238  139.110 -49.7773  157.921 -354.3954  293.898   17.705   7.8311   19.914   9.4540 -2.209196 12.27619 
1 1 1    5    5  -28 o   37.818   5.9535  439.091  127.233  520.261  177.364  353.039  182.620   41.554   7.6730   34.081   9.1049 7.472988 11.90694 
1 1 1    5    6  -28 o   21.752   6.9281 -129.7664  148.447   37.663  324.184 -174.1872  166.982   27.946   11.774   15.557   7.3062 12.38897 13.85624 
1 1 1    5    7  -28 o  149.794   2.3436  6488.35  193.148  6515.82  327.708  6473.73  239.090  149.984   3.7832  149.605   2.7671 0.3793335 4.687156 
1 1 1    5    8  -28 o   62.850   5.1357  1147.21  186.418   0.0000   0.0000  1147.21  186.418  ?   ?    62.850   5.1357      ?      ? 
1 1 1    5    9  -28 o   92.225   2.8021  2469.17  148.882  2542.33  205.399  2388.18  216.109   93.680   3.7963   90.770   4.1224 2.910309 5.604119 
1 1 1    5   10  -28 o   68.500   3.3329  1368.25  131.175  1448.46  180.188  1277.81  191.330   70.667   4.4149   66.333   4.9942 4.334099 6.665858 
1 1 1    5   11  -28 o  234.561   1.6601 15908.70  224.889 15848.74  318.926 15967.99  317.163  234.120   2.3587  235.002   2.3368 -0.8819580 3.320244 
1 1 1    5   12  -28 o  113.258   2.2593  3753.65  138.300  3597.31  240.317  3831.07  169.110  111.425   3.7344  115.091   2.5441 -3.666664 4.518649 
1 1 1    5   13  -28 o  133.847   2.7007  5231.19  187.802  5102.70  351.471  5282.53  222.179  132.580   4.5901  135.115   2.8472 -2.534714 5.401475 
1 1 1    5   14  -28 o  210.717   1.6866 12842.17  205.226 13124.24  290.500 12561.13  289.968  213.031   2.3611  208.404   2.4091 4.626495 3.373245 
1 1 1    5   15  -28 o  147.923   2.0563  6327.88  174.433  6379.65  263.258  6287.37  232.893  148.442   3.0707  147.404   2.7357 1.037994 4.112571 
1 1 1    5   16  -28 o   30.784   7.1739  273.884  149.827  329.866  192.770  188.467  238.118   32.993   9.5620   28.576   10.697 4.417143 14.34783 
1 1 1    5   17  -28 o  195.139   2.5704 11019.01  289.688 11019.01  289.688   0.0000   0.0000  195.139   2.5704  ?   ?       ?      ? 
1 1 1    5   18  -28 o   65.722   4.0586  1220.72  151.488  1511.16  242.116  1033.86  194.197   71.929   5.8282   59.515   5.6497 12.41373 8.117103 
1 1 1    5   19  -28 o  152.954   2.3363  6732.16  195.388  6939.73  337.944  6627.93  239.470  154.617   3.7844  151.292   2.7406 3.325378 4.672589 
1 1 1    5   20  -28 o   88.523   3.3599  2273.18  171.779  2273.18  171.779   0.0000   0.0000   88.523   3.3599  ?   ?       ?      ? 
1 1 1    5   21  -28 o  209.062   1.4109 12641.79  170.159 12682.73  246.817 12604.70  234.906  209.376   2.0411  208.748   1.9484 0.6279602 2.821787 
1 1 1    5   22  -28 o   96.920   2.2917  2754.37  123.994  2614.96  200.419  2840.82  157.824   94.844   3.6588   98.996   2.7604 -4.152626 4.583323 
1 1 1    5   23  -28 o   29.291   6.6551  261.930  132.529  131.929  220.702  335.241  165.738   25.787   10.131   32.796   8.6323 -7.009451 13.31017 
1 1 1    5   24  -28 o   69.619   4.5772  1506.55  129.394  1337.72  327.265  1537.84  140.873   66.526   8.5177   72.713   3.3545 -6.186485 9.154448 
1 1 1    5   25  -28 o   81.277   2.3166  1918.26  108.250  1878.03  145.611  1967.96  161.850   80.353   3.1377   82.201   3.4092 -1.847946 4.633295 
1 1 1    5   26  -28 f   44.141   4.6828  629.730  108.299  809.932  145.366  404.944  162.355   52.449   4.7988   35.832   8.0427 16.61740 9.365542 
1 1 1    5   27  -28 o   14.115   4.8412 -261.2943  112.065 -150.9431  189.279 -320.8540  139.056   16.948   7.9001   11.283   5.5982 5.664791 9.682484 
1 1 1    5   28  -28 o   60.624   4.7931  1129.90  164.870  1348.89  231.815  905.754  234.531   66.971   5.9934   54.278   7.4815 12.69247 9.586137 
1 1 1    5   29  -28 o   81.202   4.2636  1978.82  194.606  2078.55  316.342  1918.10  246.839   82.427   6.6451   79.978   5.3439 2.449089 8.527296 
1 1 1    5   30  -28 o   13.123   6.3769 -237.9389  152.790 -237.9389  152.790   0.0000   0.0000   13.123   6.3769  ?   ?       ?      ? 
1 1 1    5   31  -28 o   34.171   5.8363  391.734  114.311  435.298  158.669  344.724  164.828   36.408   7.7818   31.935   8.7003 4.473034 11.67270 
1 1 1    5   32  -28 o   17.218   5.8584 -204.0776  146.169 -203.2076  170.056 -206.5382  286.003   14.551   6.9850   19.885   9.4071 -5.334238 11.71679 
1 1 1    5   33  -28 o   22.922   6.3967  103.084  143.609  254.126  178.583 -173.3640  241.600   27.397   9.3781   18.447   8.7020 8.949886 12.79346 
1 1 1    5   34  -28 o   57.765   3.6798  1017.18  122.504  1110.14  179.220  935.654  167.834   60.267   5.1490   55.263   5.2585 5.004147 7.359616 
1 1 1    5   35  -28 o   49.489   5.1989  753.251  148.597   0.0000   0.0000  753.251  148.597  ?   ?    49.489   5.1989      ?      ? 
1 1 1    5   36  -28 o   48.181   7.0802  854.204  188.359  926.144  293.374  803.752  245.685   49.232   10.629   47.130   9.3561 2.101845 14.16034 
1 1 1    5   37  -28 o   72.991   4.5736  1713.19  190.910  1599.31  250.175  1871.98  295.403   70.520   6.1425   75.462   6.7780 -4.941818 9.147234 
1 1 1    5    0  -29 o  130.439   3.1314  4927.14  235.593   0.0000   0.0000  4927.14  235.593  130.439   3.1314  130.439   3.1314 -0.000000 0.000000 
1 1 1    5    1  -29 o   76.810   2.9506  1794.13  118.343  1927.44  143.120  1505.93  210.433   81.613   3.0364   72.006   5.0601 9.606956 5.901196 
1 1 1    5    2  -29 o  110.304   3.0079  3497.25  158.068  3582.47  340.772  3473.89  178.424  111.026   5.3144  109.582   2.8192 1.444466 6.015866 
1 1 1    5    3  -29 o  115.993   2.8732  3861.63  186.343  4050.70  307.726  3752.15  234.156  118.163   4.5092  113.824   3.5619 4.338928 5.746302 
1 1 1    5    4  -29 o  116.672   2.0016  3938.24  134.222  3939.41  181.143  3936.81  199.872  116.702   2.6876  116.642   2.9670 0.5973816E-01 4.003237 
1 1 1    5    5  -29 o   75.771   3.4693  1592.77  144.929  1916.05  253.601  1435.98  176.611   81.180   5.4090   70.363   4.3460 10.81717 6.938679 
1 1 1    5    6  -29 o   27.268   6.4528  165.122  115.563  330.828  208.849   91.998  138.737   33.283   10.033   21.252   8.1174 12.03073 12.90568 
1 1 1    5    7  -29 o  125.322   2.8446  4628.08  162.388  4676.53  181.253  4430.98  365.557  127.164   2.4679  123.480   5.1259 3.684052 5.689101 
1 1 1    5    8  -29 o  196.079   1.4639 11169.50  156.098 11280.58  191.433 10949.09  269.660  197.577   1.6776  194.582   2.3995 2.995483 2.927839 
1 1 1    5    9  -29 o  153.467   1.5644  6767.41  136.239  7031.52  215.455  6591.45  175.860  155.930   2.3924  151.004   2.0165 4.926498 3.128890 
1 1 1    5   10  -29 o   74.286   3.5802  1596.54  148.502  1634.53  244.682  1574.39  186.850   74.921   5.6548   73.651   4.3927 1.269577 7.160451 
1 1 1    5   11  -29 o  117.827   3.2491  4061.82  200.625  3961.01  369.934  4103.83  238.791  116.640   5.4915  119.015   3.4740 -2.375717 6.498110 
1 1 1    5   12  -29 o   27.900   9.4362  215.990  180.783   0.0000   0.0000  215.990  180.783  ?   ?    27.900   9.4362      ?      ? 
1 1 1    5   13  -29 o  149.828   2.0103  6496.88  173.530  6515.48  254.588  6480.74  237.154  150.016   2.9384  149.640   2.7441 0.3758698 4.020506 
1 1 1    5   14  -29 f  189.082   2.5449 10331.69  272.978 10549.45  430.374 10185.11  353.093  190.675   3.9081  187.490   3.2608 3.184875 5.089818 
1 1 1    5   15  -29 o   34.814   7.5502  350.810  167.495  474.747  255.692  257.651  221.681   39.171   10.902   30.458   10.448 8.712862 15.10040 
1 1 1    5   16  -29 o  131.495   2.6334  4979.69  161.277  5083.23  358.204  4953.37  180.619  132.154   4.6932  130.836   2.3903 1.318039 5.266806 
1 1 1    5   17  -29 o   19.667   6.2061 -87.2430  139.753  -3.6869  226.525 -138.5899  177.576   22.511   9.6742   16.824   7.7765 5.686735 12.41221 
1 1 1    5   18  -29 o   42.383   6.9660  518.496  149.050  647.812  303.190  477.283  171.161   45.257   11.559   39.508   7.7782 5.749138 13.93194 
1 1 1    5   19  -29 o   95.731   2.5695  2646.99  128.928  2700.16  240.383  2625.52  152.758   96.281   4.3230   95.181   2.7789 1.099174 5.139070 
1 1 1    5   20  -29 o   72.548   3.0700  1529.06  128.395  1645.21  188.244  1428.01  175.573   75.115   4.3392   69.981   4.3440 5.134445 6.139977 
1 1 1    5   21  -29 o   67.965   3.2281  1341.34  126.298  1237.72  170.558  1467.14  187.927   65.082   4.5376   70.847   4.5928 -5.765282 6.456287 
1 1 1    5   22  -29 f   55.614   4.3721  916.772  139.804  1024.04  199.191  812.633  196.268   58.895   5.8561   52.333   6.4936 6.561424 8.744168 
1 1 1    5   23  -29 o   93.629   2.5888  2557.95  139.696  2579.71  191.924  2533.44  203.725   94.084   3.5321   93.173   3.7859 0.9107437 5.177688 
1 1 1    5   24  -29 o   88.519   2.4550  2280.02  122.328  2260.55  156.123  2310.98  196.878   88.129   3.0673   88.910   3.8341 -0.7813263 4.910071 
1 1 1    5   25  -29 o  118.410   2.5595  4095.11  174.481  4162.30  258.084  4038.56  236.794  119.250   3.7473  117.570   3.4873 1.680321 5.118939 
1 1 1    5   26  -29 o  103.720   2.2991  3161.60  134.699  3051.12  211.889  3236.52  174.496  102.055   3.5949  105.384   2.8670 -3.328712 4.598159 
1 1 1    5   27  -29 f   16.024   5.2254 -94.1177  110.654 -211.6331  192.907 -36.4909  135.087   15.966   7.6028   16.081   7.1706 -0.1148491 10.45083 
1 1 1    5   28  -29 o  100.444   2.3965  2901.95  135.193  3220.46  222.977  2716.79  170.005  104.555   3.6926   96.333   3.0556 8.222847 4.792912 
1 1 1    5   29  -29 o   22.714   8.8003  131.755  164.698  131.755  164.698   0.0000   0.0000   22.714   8.8003  ?   ?       ?      ? 
1 1 1    5   30  -29 o   51.416   4.4124  829.485  124.155  859.554  155.077  775.805  207.204   53.332   5.0347   49.501   7.2477 3.830822 8.824853 
1 1 1    5   31  -29 o   36.709   6.4181  447.105  127.964  409.027  154.188  531.372  229.375   35.016   7.8216   38.402   10.178 -3.385254 12.83626 
1 1 1    5   32  -29 o   16.953   5.5822 -129.9711  131.509 -202.8205  172.773 -29.6256  202.774   14.627   7.0266   19.278   8.6758 -4.650600 11.16436 
1 1 1    5   33  -29 o   96.906   3.9347  2868.28  205.231  2806.05  248.245  3002.66  364.791   96.412   4.4583   97.401   6.4848 -0.9887695 7.869493 
1 1 1    5   34  -29 o   17.342   7.6658  -1.5102  151.085  -1.5102  151.085   0.0000   0.0000   17.342   7.6658  ?   ?       ?      ? 
1 1 1    5   35  -29 o   37.848   7.3676  569.464  173.207  720.334  240.215  406.078  249.980   44.007   9.7114   31.688   11.082 12.31954 14.73521 
1 1 1    5   36  -29 o   34.411   8.0706  343.092  132.230  876.358  392.007  274.627  140.462   41.298   13.896   27.523   8.2127 13.77508 16.14112 
1 1 1    5    0  -30 o   21.435   8.8522  163.447  177.038  147.524  301.163  171.855  218.842   21.931   13.180   20.939   11.821 -0.000000 0.000000 
1 1 1    5    1  -30 o   92.451   3.0608  2478.33  159.680  2489.90  254.765  2470.84  204.928   92.580   4.7647   92.321   3.8434 0.2590256 6.121601 
1 1 1    5    2  -30 o   72.078   3.4298  1461.03  125.861  1613.18  250.570  1409.68  145.555   74.408   5.8308   69.748   3.6133 4.659355 6.859604 
1 1 1    5    3  -30 f   40.078   5.7490  489.673  126.246  514.683  159.407  447.591  206.772   41.976   6.5754   38.179   9.4323 3.796379 11.49802 
1 1 1    5    4  -30 o   90.521   3.9670  2384.99  207.261  2350.62  287.149  2422.38  299.461   89.851   5.5335   91.191   5.6859 -1.340096 7.934063 
1 1 1    5    5  -30 o  116.580   2.7341  3905.38  150.246  4002.53  328.714  3879.72  168.924  117.352   4.8500  115.809   2.5256 1.542992 5.468197 
1 1 1    5    6  -30 o  103.931   3.1043  3062.58  171.051  2956.54  203.107  3321.28  317.224  101.013   3.4815  106.849   5.1406 -5.836266 6.208539 
1 1 1    5    7  -30 o   53.736   4.5265  832.488  137.347  1109.14  206.766  614.019  183.742   61.677   5.8046   45.795   6.9471 15.88151 9.052914 
1 1 1    5    8  -30 o   69.782   4.7078  1410.89  148.790  1402.49  165.177  1447.02  342.629   69.516   4.1141   70.048   8.4692 -0.5320816 9.415560 
1 1 1    5    9  -30 o   72.888   2.9847  1553.94  124.655  1672.63  170.477  1417.56  182.740   75.931   3.8874   69.845   4.5302 6.086449 5.969445 
1 1 1    5   10  -30 f   75.515   4.7028  1584.41  188.859  1891.18  354.944  1463.27  223.054   80.180   7.6650   70.850   5.4511 9.329697 9.405637 
1 1 1    5   11  -30 o   58.924   4.4780  1009.30  152.389   0.0000   0.0000  1009.30  152.389  ?   ?    58.924   4.4780      ?      ? 
1 1 1    5   12  -30 o  147.526   1.9198  6342.93  158.226  6472.28  200.956  6131.94  256.657  149.569   2.3263  145.483   3.0546 4.085144 3.839594 
1 1 1    5   13  -30 o  161.097   3.0217  7519.63  281.140   0.0000   0.0000  7519.63  281.140  ?   ?   161.097   3.0217      ?      ? 
1 1 1    5   14  -30 o   72.031   3.2580  1508.90  132.070  1502.18  168.650  1519.56  212.369   71.891   4.0619   72.172   5.0949 -0.2810516 6.515912 
1 1 1    5   15  -30 o   78.444   3.0312  1786.38  135.389  1764.77  176.727  1817.07  210.648   77.920   3.9270   78.968   4.6187 -1.048004 6.062491 
1 1 1    5   16  -30 o   11.307   5.7359 -697.4697  192.808 -697.4697  192.808   0.0000   0.0000   11.307   5.7359  ?   ?       ?      ? 
1 1 1    5   17  -30 o  143.557   1.6399  5968.10  135.457  5976.82  183.901  5957.75  200.276  143.689   2.2160  143.426   2.4178 0.2630005 3.279704 
1 1 1    5   18  -30 o   43.305   6.8132  599.898  168.047  697.398  220.161  463.802  260.112   48.319   7.8892   38.290   11.110 10.02975 13.62635 
1 1 1    5   19  -30 o  173.165   2.2729  8755.70  216.801  8856.16  269.740  8572.38  364.383  174.742   2.6728  171.587   3.6770 3.155319 4.545737 
1 1 1    5   20  -30 o   41.228   6.4784  545.549  147.438  580.038  188.242  490.814  237.144   43.340   7.8076   39.117   10.340 4.223171 12.95675 
1 1 1    5   21  -30 o  137.859   2.6718  5398.65  160.538  5779.90  392.583  5322.10  175.920  140.223   4.8476  135.496   2.2480 4.726669 5.343501 
1 1 1    5   22  -30 o   77.885   3.1497  1790.03  136.910  1748.09  222.964  1815.41  173.464   76.974   5.0154   78.796   3.8117 -1.822067 6.299436 
1 1 1    5   23  -30 o   39.782   5.8347  502.309  129.138  500.277  174.136  504.793  192.500   39.845   7.8463   39.719   8.6377 0.1263504 11.66938 
1 1 1    5   24  -30 o   76.163   2.9836  1701.07  130.733  1628.89  175.923  1790.10  195.371   74.410   4.0936   77.916   4.3416 -3.505913 5.967131 
1 1 1    5   25  -30 o   32.735   6.6062  354.448  131.108  372.864  187.846  336.956  183.076   33.524   9.3495   31.947   9.3357 1.576340 13.21241 
1 1 1    5   26  -30 o   43.741   4.8012  551.535  116.673  456.484  143.033  740.533  201.693   38.622   6.4123   48.860   7.1475 -10.23733 9.602321 
1 1 1    5   27  -30 o   51.286   4.9965  786.940  128.868  894.398  260.365  752.073  148.309   52.600   8.5706   49.972   5.1388 2.628647 9.993064 
1 1 1    5   28  -30 o   29.737   6.8164  282.115  130.918  215.962  164.204  397.540  216.898   25.951   8.9871   33.522   10.251 -7.571524 13.63270 
1 1 1    5   29  -30 o  114.778   3.0211  3951.80  199.016  4074.59  269.703  3805.00  294.884  116.991   3.9916  112.564   4.5359 4.427223 6.042132 
1 1 1    5   30  -30 o   78.843   2.9191  1849.01  132.529  2056.46  194.703  1669.92  180.904   82.986   4.0624   74.701   4.1931 8.285400 5.838278 
1 1 1    5   31  -30 o   41.701   6.3635  638.109  132.958  677.468  153.415  519.338  266.502   46.799   5.6760   36.603   11.391 10.19655 12.72706 
1 1 1    5   32  -30 o   75.017   4.8362  1786.38  206.813  1937.84  323.696  1681.90  268.840   77.194   7.2605   72.841   6.3905 4.353058 9.672318 
1 1 1    5   33  -30 o   18.275   5.9959 -110.5612  155.725   7.6736  212.408 -247.9692  228.983   20.047   8.9614   16.503   7.9684 3.543842 11.99172 
1 1 1    5   34  -30 o   69.124   3.7872  1495.15  127.417  1496.55  146.081  1490.70  260.524   70.675   3.5788   67.572   6.6757 3.103355 7.574465 
1 1 1    5    0  -31 o   39.411   9.8905  604.463  206.207  652.728  287.984  553.681  295.400   41.843   13.494   36.979   14.464 -0.000000 0.000000 
1 1 1    5    1  -31 o   26.681   7.1802  155.545  152.970  201.005  193.231   79.225  250.367   27.589   9.7362   25.773   10.556 1.816288 14.36039 
1 1 1    5    2  -31 o  107.387   3.1549  3358.63  175.447  3367.70  206.794  3335.32  331.445  107.799   3.3215  106.974   5.3647 0.8249435 6.309732 
1 1 1    5    3  -31 o   65.771   3.8312  1255.19  145.532  1255.19  145.532   0.0000   0.0000   65.771   3.8312  ?   ?       ?      ? 
1 1 1    5    4  -31 o  147.034   2.1117  6309.47  164.331  6140.53  297.894  6383.36  197.021  145.520   3.5445  148.548   2.2965 -3.028351 4.223410 
1 1 1    5    5  -31 o   86.101   2.4709  2130.15  122.266  2355.56  184.356  1953.16  163.361   90.126   3.5418   82.077   3.4462 8.049095 4.941732 
1 1 1    5    6  -31 o   40.924   6.4083  516.700  147.550  477.049  210.296  555.145  207.076   39.290   9.3947   42.558   8.7181 -3.267975 12.81658 
1 1 1    5    7  -31 o   15.888   5.3325 -229.4687  128.723 -152.3003  201.301 -282.8517  167.428   17.992   8.3035   13.784   6.6929 4.207952 10.66504 
1 1 1    5    8  -31 o  191.366   1.4266 10588.79  157.525 10642.80  227.959 10539.42  217.928  191.828   2.0576  190.905   1.9766 0.9223938 2.853158 
1 1 1    5    9  -31 o   11.406   4.0616 -539.2188  122.549 -528.4426  174.072 -549.8084  172.557   11.536   5.8027   11.275   5.6847 0.2612019 8.123288 
1 1 1    5   10  -31 o   57.780   5.8520  1044.48  168.052  910.072  309.147  1100.86  200.218   54.210   10.250   61.350   5.6507 -7.140224 11.70406 
1 1 1    5   11  -31 o   49.746   6.6477  728.873  147.711  798.556  342.566  712.958  163.712   50.147   11.990   49.345   5.7445 0.8023148 13.29535 
1 1 1    5   12  -31 o   40.232   5.4808  495.270  122.708  508.055  172.476  482.166  174.615   40.808   7.5977   39.656   7.9014 1.151508 10.96164 
1 1 1    5   13  -31 o  109.587   2.8090  3540.28  174.868  3818.05  233.305  3184.19  264.161  114.645   3.5236  104.529   4.3757 10.11561 5.618030 
1 1 1    5   14  -31 f   45.728   7.3525  613.829  172.149  769.307  337.874  559.315  200.065   48.904   12.043   42.552   8.4388 6.351147 14.70495 
1 1 1    5   15  -31 o  103.904   2.7839  3131.11  167.058  3131.11  167.058   0.0000   0.0000  103.904   2.7839  ?   ?       ?      ? 
1 1 1    5   16  -31 o  101.148   3.6060  3000.13  163.951  3002.39  378.647  2999.61  181.885  100.673   6.5123  101.622   3.0990 -0.9485550 7.212070 
1 1 1    5   17  -31 o   78.804   3.3661  1815.24  143.374  1805.71  174.278  1835.20  252.192   78.691   3.8347   78.917   5.5332 -0.2259598 6.732111 
1 1 1    5   18  -31 o  156.476   1.6148  7097.11  145.864  7115.19  209.650  7080.15  203.073  156.660   2.3171  156.292   2.2497 0.3686523 3.229613 
1 1 1    5   19  -31 o   53.459   5.2392  913.944  141.702  986.550  172.308  762.249  249.061   57.825   5.1595   49.092   9.1201 8.733093 10.47834 
1 1 1    5   20  -31 o  112.231   2.3499  3671.93  146.672  3681.39  242.684  3666.49  184.100  112.193   3.7453  112.268   2.8393 -0.7482910E-01 4.699895 
1 1 1    5   21  -31 o   78.089   3.8088  1689.68  141.174  2039.68  316.306  1602.61  157.759   82.196   6.6630   73.982   3.6922 8.213860 7.617614 
1 1 1    5   22  -31 o   55.428   4.9418  968.394  146.145  844.163  250.749  1032.31  179.851   52.012   8.3473   58.844   5.2920 -6.832020 9.883512 
1 1 1    5   23  -31 o   81.006   3.0855  1936.08  130.689  1927.98  154.913  1956.08  243.402   81.132   3.3060   80.880   5.2107 0.2520294 6.171000 
1 1 1    5   24  -31 o   97.420   3.3925  2941.50  169.152  2582.74  313.099  3089.37  201.012   92.268   5.8755  102.571   3.3932 -10.30319 6.784932 
1 1 1    5   25  -31 o   63.656   4.0148  1233.86  145.610  1247.86  191.842  1214.83  223.645   64.358   5.1612   62.954   6.1510 1.403988 8.029522 
1 1 1    5   26  -31 o   35.510   6.4351  419.007  130.186  506.039  209.840  364.544  165.995   38.209   9.5387   32.812   8.6403 5.397087 12.87015 
1 1 1    5   27  -31 o   42.478   6.0729  639.997  142.359  777.925  185.238  441.000  222.498   49.964   6.4193   34.992   10.311 14.97198 12.14580 
1 1 1    5   28  -31 o   55.033   5.3750  926.197  170.837  926.197  170.837   0.0000   0.0000   55.033   5.3750  ?   ?       ?      ? 
1 1 1    5   29  -31 o   80.289   2.8782  1935.30  131.150  1969.04  171.408  1887.65  203.690   81.412   3.6455   79.167   4.4549 2.244865 5.756415 
1 1 1    5   30  -31 o   31.896   7.3844  361.520  138.143  354.774  153.332  390.597  318.343   32.024   8.2420   31.767   12.255 0.2569981 14.76888 
1 1 1    5   31  -31 o   58.578   4.0706  1079.87  136.395  1130.46  184.042  1018.22  203.154   60.476   5.2692   56.679   6.2061 3.797581 8.141278 
1 1 1    5   32  -31 o   30.350   6.8446  344.818  132.943  333.777  168.708  362.905  215.932   30.141   9.0022   30.558   10.313 -0.4170990 13.68926 
1 1 1    5   33  -31 o   66.661   5.1121  1387.93  196.812  1387.93  196.812   0.0000   0.0000   66.661   5.1121  ?   ?       ?      ? 
1 1 1    5    0  -32 o   42.328   8.4189  725.037  162.930  800.786  187.404  490.519  329.745   51.204   6.6461   33.451   15.471 -0.000000 0.000000 
1 1 1    5    1  -32 o   35.790   7.4264  383.995  151.705  376.855  177.871  403.051  290.576   34.909   8.8193   36.670   11.951 -1.761467 14.85281 
1 1 1    5    2  -32 o   70.275   3.6605  1435.95  146.862  1403.74  192.638  1480.66  226.941   69.391   4.8068   71.160   5.5220 -1.768555 7.321000 
1 1 1    5    3  -32 o   20.936   6.0923   32.224  123.382 -72.5502  186.538  113.712  164.508   18.748   8.3881   23.124   8.8375 -4.375593 12.18451 
1 1 1    5    4  -32 o   34.969   6.7696  365.702  138.332  451.376  222.775  311.939  176.477   38.044   10.005   31.893   9.1215 6.151186 13.53915 
1 1 1    5    5  -32 o   67.313   2.8044  1317.58  108.955  1258.00  153.480  1378.12  154.699   65.769   4.0406   68.856   3.8901 -3.086266 5.608856 
1 1 1    5    6  -32 o  100.034   3.4058  2960.06  158.406  2988.81  178.037  2850.83  347.023  101.526   3.0363   98.542   6.0975 2.983704 6.811658 
1 1 1    5    7  -32 o   77.238   3.4835  1723.98  154.562  1559.70  206.198  1934.67  233.508   73.090   4.8848   81.387   4.9678 -8.297707 6.967032 
1 1 1    5    8  -32 o   26.090   6.6115  179.292  119.098  192.431  140.122  145.094  226.060   25.677   8.2938   26.503   10.298 -0.8263569 13.22293 
1 1 1    5    9  -32 o   91.805   2.5738  2459.34  135.941  2635.81  189.221  2271.09  195.428   95.254   3.4395   88.356   3.8297 6.898529 5.147521 
1 1 1    5   10  -32 o   98.067   3.6087  2770.00  189.618  2938.58  343.014  2695.81  227.548   99.942   5.9426   96.191   4.0959 3.750389 7.217442 
1 1 1    5   11  -32 o  119.906   2.3379  4209.36  160.180  4442.91  215.282  3919.72  239.745  123.722   3.0128  116.089   3.5758 7.633408 4.675840 
1 1 1    5   12  -32 o   86.317   3.3993  2185.80  168.595  2459.91  240.127  1919.31  236.767   91.731   4.5325   80.904   5.0672 10.82740 6.798530 
1 1 1    5   13  -32 o   65.960   4.9839  1311.04  187.025  1406.41  250.304  1190.51  281.405   68.915   6.2888   63.005   7.7334 5.909798 9.967704 
1 1 1    5   14  -32 o   33.765   7.2477  367.608  155.985  432.072  196.145  256.691  257.285   36.911   9.2263   30.619   11.180 6.291809 14.49550 
1 1 1    5   15  -32 o  112.740   3.5116  3704.45  228.645  3704.45  228.645   0.0000   0.0000  112.740   3.5116  ?   ?       ?      ? 
1 1 1    5   16  -32 o   62.003   4.4212  1143.63  151.883  1138.29  189.767  1153.16  253.348   62.075   5.2932   61.931   7.0831 0.1433029 8.842398 
1 1 1    5   17  -32 o   46.456   5.2286  667.955  134.823  793.097  190.453  542.247  190.884   51.462   6.4079   41.449   8.2639 10.01362 10.45718 
1 1 1    5   18  -32 o   63.255   4.4465  1208.13  159.754  1156.07  246.003  1246.09  210.079   61.830   6.8890   64.680   5.6237 -2.850262 8.892966 
1 1 1    5   19  -32 o   18.067   5.5580 -69.7390  113.596   97.280  175.376 -190.4595  149.100   22.370   8.9527   13.763   6.5891 8.607165 11.11606 
1 1 1    5   20  -32 o  126.382   2.0078  4661.79  146.266  4720.75  201.447  4596.05  212.717  127.271   2.7406  125.494   2.9349 1.776665 4.015548 
1 1 1    5   21  -32 f   85.937   2.9746  2154.09  144.488  2044.31  184.216  2329.58  232.921   83.306   3.8288   88.568   4.5535 -5.262016 5.949292 
1 1 1    5   22  -32 o   41.149   6.1398  560.171  141.137  554.544  205.551  565.191  194.133   40.781   8.9711   41.517   8.3851 -0.7366180 12.27963 
1 1 1    5   23  -32 o   67.553   4.1723  1409.39  154.604  1338.03  258.411  1449.17  192.945   65.585   6.8221   69.521   4.8054 -3.936371 8.344673 
1 1 1    5   24  -32 o   76.369   3.2290  1722.91  135.774  1829.40  232.388  1667.72  167.298   77.742   5.1757   74.995   3.8625 2.747101 6.458099 
1 1 1    5   25  -32 o   62.621   3.6583  1191.65  131.925  1301.89  187.765  1084.17  185.398   65.610   4.9551   59.631   5.3833 5.979221 7.316626 
1 1 1    5   26  -32 o   48.323   4.0072  718.198  111.659  666.657  156.137  772.147  159.744   46.469   5.8177   50.177   5.5123 -3.707653 8.014458 
1 1 1    5   27  -32 f   12.741   4.4556 -333.3098  120.028 -238.2390  149.706 -504.4084  200.834   12.756   6.2237   12.726   6.3778 0.2929211E-01 8.911277 
1 1 1    5   28  -32 o   51.557   5.5448  902.547  154.543  762.057  238.277  1004.56  203.042   46.595   9.1809   56.519   6.2202 -9.924011 11.08960 
1 1 1    5   29  -32 o   41.559   7.5462  649.830  177.437  707.339  293.719  616.782  222.658   41.914   11.692   41.204   9.5441 0.7104073 15.09245 
1 1 1    5   30  -32 o   21.351   6.6656   45.775  162.311  105.035  207.489 -47.6729  260.555   22.137   9.3776   20.565   9.4752 1.572676 13.33114 
1 1 1    5   31  -32 o   52.060   7.1140  983.516  178.754  1109.92  365.772  943.854  204.888   50.364   12.605   53.756   6.5993 -3.392307 14.22791 
1 1 1    5    0  -33 o   40.388   8.2873  533.250  170.824  533.250  170.824   0.0000   0.0000   40.388   8.2873   40.388   8.2873 -0.000000 0.000000 
1 1 1    5    1  -33 o   78.205   4.1698  1608.56  147.968  2126.64  359.709  1503.03  162.339   84.566   7.3650   71.844   3.9125 12.72195 8.339684 
1 1 1    5    2  -33 o  135.361   2.3572  5266.50  155.558  5217.66  177.159  5430.93  325.071  134.225   2.2853  136.497   4.1235 -2.272552 4.714449 
1 1 1    5    3  -33 o   38.424   7.5635  378.167  149.473  301.142  167.721  675.499  329.528   31.183   8.8833   45.665   12.244 -14.48213 15.12696 
1 1 1    5    4  -33 o  109.787   2.0268  3498.97  128.438  3388.53  182.570  3607.18  180.721  108.061   2.9253  111.514   2.8060 -3.453636 4.053573 
1 1 1    5    5  -33 o   66.423   4.7887  1291.22  183.704  1291.22  183.704   0.0000   0.0000   66.423   4.7887  ?   ?       ?      ? 
1 1 1    5    6  -33 f   30.306   7.3589  263.395  157.585  323.404  219.200  199.206  226.706   32.511   10.360   28.102   10.454 4.408947 14.71773 
1 1 1    5    7  -33 o   23.279   6.7662   70.783  133.807   62.591  157.715   91.827  252.778   20.799   8.4311   25.759   10.585 -4.960146 13.53234 
1 1 1    5    8  -33 o  106.945   3.5513  3332.53  193.470  3304.85  225.336  3410.19  377.375  106.513   3.6631  107.378   6.0852 -0.8655243 7.102622 
1 1 1    5    9  -33 o   51.890   5.5822  828.799  161.304  733.201  236.683  911.711  220.421   48.487   8.7751   55.294   6.9022 -6.807232 11.16435 
1 1 1    5   10  -33 o  150.627   2.8441  6622.83  245.261  6670.38  372.737  6586.52  325.703  150.991   4.2743  150.263   3.7531 0.7278137 5.688165 
1 1 1    5   11  -33 o   60.210   4.0775  1073.66  138.232  1072.78  221.293  1074.22  177.016   60.021   6.3838   60.399   5.0746 -0.3776131 8.155005 
1 1 1    5   12  -33 o   50.709   4.7739  757.734  138.363  928.662  209.799  626.163  184.067   55.751   6.5158   45.667   6.9790 10.08434 9.547873 
1 1 1    5   13  -33 o   23.425   6.9046   65.503  154.978   66.978  213.642   63.865  225.155   23.233   9.6559   23.616   9.8721 -0.3838100 13.80926 
1 1 1    5   14  -33 o  125.165   2.3753  4591.24  168.658  4467.11  262.527  4678.47  220.083  123.587   3.6780  126.743   3.0066 -3.155922 4.750542 
1 1 1    5   15  -33 o   39.436   5.9964  500.042  126.156  462.209  225.491  517.280  152.207   37.400   10.171   41.472   6.3547 -4.072437 11.99276 
1 1 1    5   16  -33 o   26.064   6.7456  188.292  130.703  176.686  169.366  205.381  205.518   25.084   9.0844   27.043   9.9743 -1.959387 13.49123 
1 1 1    5   17  -33 o   83.266   3.4308  2058.56  164.924  2131.63  236.803  1989.73  229.828   84.705   4.8405   81.826   4.8632 2.878654 6.861602 
1 1 1    5   18  -33 o   59.649   4.1803  1063.44  137.332  1118.01  234.183  1034.83  169.545   60.415   6.7116   58.884   4.9854 1.530357 8.360637 
1 1 1    5   19  -33 o   63.271   4.3810  1214.73  159.526  1085.83  217.602  1364.51  234.560   59.592   6.3225   66.951   6.0662 -7.358932 8.762023 
1 1 1    5   20  -33 o   13.569   4.7426 -397.1376  137.104 -313.9810  188.344 -490.8729  199.966   14.174   6.9296   12.963   6.4767 1.210686 9.485124 
1 1 1    5   21  -33 o   52.555   6.2970  842.013  156.921  779.773  177.420  1065.63  336.297   50.372   6.0986   54.739   11.019 -4.367401 12.59399 
1 1 1    5   22  -33 o   40.215   6.5816  561.615  149.995  609.547  205.237  506.661  219.756   42.557   8.6452   37.874   9.9262 4.683693 13.16316 
1 1 1    5   23  -33 o   26.523   6.8725  219.731  133.137  252.272  224.509  202.080  165.348   27.834   10.393   25.212   8.9947 2.621937 13.74497 
1 1 1    5   24  -33 o   25.795   6.6797  206.654  122.582  228.152  224.766  197.553  146.247   26.903   10.319   24.687   8.4853 2.215418 13.35937 
1 1 1    5   25  -33 o   27.466   6.2583  265.405  113.496  300.027  138.008  193.064  199.489   29.732   7.9018   25.200   9.7071 4.532270 12.51659 
1 1 1    5   26  -33 o   15.553   5.2492 -166.0723  125.149 -158.9497  155.595 -179.1235  210.621   14.289   6.8107   16.817   7.9895 -2.527845 10.49849 
1 1 1    5   27  -33 o   18.132   5.9780 -106.4611  152.620 -106.0230  205.599 -106.9987  227.775   17.671   8.2360   18.593   8.6668 -0.9220867 11.95592 
1 1 1    5   28  -33 o   21.336   6.3640   37.889  131.725  239.938  226.441 -65.4551  161.946   26.410   10.295   16.263   7.4846 10.14684 12.72795 
1 1 1    5   29  -33 o   24.464   7.0801  159.163  176.999 -103.5036  288.548  317.620  224.116   20.350   9.5723   28.577   10.435 -8.226213 14.16010 
1 1 1    5    0  -34 o   17.988   10.961   95.750  214.351   95.750  214.351   0.0000   0.0000   17.988   10.961   17.988   10.961 -0.000000 0.000000 
1 1 1    5    1  -34 o   60.872   4.1381  1087.85  143.894  1034.85  188.204  1162.43  223.249   59.191   5.5054   62.553   6.1796 -3.361313 8.276227 
1 1 1    5    2  -34 o   12.943   4.6163 -476.9345  129.818 -444.8719  152.996 -559.3656  245.316   10.933   5.4912   14.954   7.4222 -4.020682 9.232676 
1 1 1    5    3  -34 o   42.793   6.3892  584.125  152.804  643.203  210.585  518.429  222.067   45.383   8.3417   40.203   9.6799 5.179523 12.77832 
1 1 1    5    4  -34 o   16.042   5.3650 -219.8260  135.077 -385.3415  211.164 -105.1923  175.735   14.911   7.2998   17.174   7.8642 -2.263586 10.73004 
1 1 1    5    5  -34 o   76.273   3.8571  1717.80  168.850  1699.26  226.039  1741.22  253.975   75.903   5.1563   76.643   5.7376 -0.7406006 7.714164 
1 1 1    5    6  -34 o   27.276   7.0395  137.653  149.464   2.5989  187.723  371.524  247.032   20.351   8.7767   34.200   11.009 -13.84930 14.07910 
1 1 1    5    7  -34 o   75.588   4.6719  1711.66  203.932  1695.66  285.842  1728.25  291.034   75.240   6.5780   75.935   6.6361 -0.6954041 9.343879 
1 1 1    5    8  -34 o   19.114   6.1415 -108.3636  150.303 -27.4183  203.214 -206.1257  223.328   20.319   8.9403   17.908   8.4227 2.411455 12.28296 
1 1 1    5    9  -34 o  131.720   2.8404  4983.03  179.877  5276.14  385.149  4901.27  203.426  133.610   4.9912  129.830   2.7130 3.780014 5.680877 
1 1 1    5   10  -34 o   18.884   6.4680 -381.7957  195.115 -284.5713  342.873 -428.3576  237.280   22.067   10.396   15.701   7.6976 6.366069 12.93593 
1 1 1    5   11  -34 o   85.436   3.0557  2170.00  139.496  2093.29  247.442  2205.73  168.893   83.994   5.1008   86.879   3.3660 -2.885292 6.111333 
1 1 1    5   12  -34 o   56.174   5.3234  951.815  171.013  1105.48  265.369  842.667  223.646   59.918   7.6685   52.431   7.3857 7.486835 10.64678 
1 1 1    5   13  -34 o   23.308   6.6706   88.669  136.243   37.139  172.012  175.422  223.186   20.249   8.5557   26.368   10.236 -6.119415 13.34114 
1 1 1    5   14  -34 o   18.393   6.2987 -276.3442  133.445  -8.4341  328.056 -329.4637  146.076   25.212   11.213   11.575   5.7421 13.63667 12.59738 
1 1 1    5   15  -34 o   92.167   2.6808  2504.20  142.575  2562.52  199.098  2442.81  204.264   93.316   3.6943   91.019   3.8857 2.296173 5.361572 
1 1 1    5   16  -34 o   20.150   6.5468 -101.3081  171.643 -41.5662  214.599 -207.3923  285.965   20.035   8.9780   20.264   9.5310 -0.2291698 13.09367 
1 1 1    5   17  -34 o   95.203   2.7831  2679.34  152.935  2794.90  220.632  2572.46  212.180   97.179   3.9311   93.226   3.9408 3.952942 5.566245 
1 1 1    5   18  -34 f   22.694   6.7652   79.474  151.547   74.588  214.789   84.317  213.852   22.582   9.5521   22.807   9.5829 -0.2250900 13.53049 
1 1 1    5   19  -34 o   58.517   5.4265  1094.55  170.318  1091.99  299.432  1095.78  207.080   57.368   9.0374   59.666   6.0093 -2.298363 10.85296 
1 1 1    5   20  -34 o   42.689   6.1147  626.046  147.870  408.114  210.214  839.497  208.042   33.828   10.036   51.550   6.9878 -17.72226 12.22940 
1 1 1    5   21  -34 o   67.307   5.0440  1315.16  161.794  1221.55  180.940  1688.61  361.396   63.498   4.9339   71.115   8.7991 -7.616249 10.08799 
1 1 1    5   22  -34 o   17.397   5.7145 -106.9447  137.621 -109.0234  203.698 -105.1991  186.666   17.772   8.2546   17.022   7.9048 0.7500191 11.42908 
1 1 1    5   23  -34 o   39.638   6.3036  521.168  138.393  698.830  226.478  415.297  174.831   44.792   9.0658   34.484   8.7610 10.30876 12.60723 
1 1 1    5   24  -34 o   44.125   6.6212  733.828  148.340  582.261  286.959  789.100  173.290   38.041   11.817   50.209   5.9760 -12.16828 13.24245 
1 1 1    5   25  -34 o   78.460   3.7938  1842.04  171.913   0.0000   0.0000  1842.04  171.913  ?   ?    78.460   3.7938      ?      ? 
1 1 1    5   26  -34 o   96.849   3.0612  2815.71  156.641  2769.90  186.751  2924.43  287.684   96.476   3.3517   97.222   5.1235 -0.7464828 6.122391 
1 1 1    5   27  -34 o   63.143   4.8371  1336.24  171.231  1511.79  229.600  1116.24  257.030   69.037   5.7585   57.249   7.7737 11.78739 9.674207 
1 1 1    5    0  -35 o   94.710   4.2811  2687.17  228.267  2566.62  350.123  2776.29  301.043   92.547   6.6286   96.873   5.4195 -0.000000 0.000000 
1 1 1    5    1  -35 o   12.480   4.4281 -541.5392  138.535 -432.2443  177.986 -709.5189  220.654   12.471   6.2115   12.489   6.3127 -0.1863575E-01 8.856256 
1 1 1    5    2  -35 f   89.188   3.0339  2342.83  156.146  2373.24  217.366  2310.40  224.451   89.825   4.1899   88.550   4.3888 1.275620 6.067729 
1 1 1    5    3  -35 o   18.363   9.0400 -864.3548  194.230 -985.3760  237.233 -618.2886  338.276  ?   ?    18.363   9.0400      ?      ? 
1 1 1    5    4  -35 o   22.236   7.0332 -188.0890  149.800 -291.0127  166.911  238.095  339.645   13.400   6.5454   31.073   12.451 -17.67313 14.06631 
1 1 1    5    5  -35 o   44.762   5.7231  597.371  136.800  534.230  165.423  733.968  243.311   41.928   6.8313   47.595   9.1843 -5.666218 11.44627 
1 1 1    5    6  -35 o  111.581   2.4387  3629.57  155.012  3554.67  202.245  3736.22  241.340  110.307   3.1746  112.855   3.7027 -2.547592 4.877322 
1 1 1    5    7  -35 f   62.812   5.5751  1129.55  169.597  1054.61  190.849  1410.90  369.810   59.338   5.5689   66.286   9.6598 -6.948071 11.15011 
1 1 1    5    8  -35 f  129.335   2.7510  4901.73  198.145  4846.16  248.675  4998.35  327.923  128.648   3.3469  130.023   4.3668 -1.375519 5.501915 
1 1 1    5    9  -35 o   85.964   3.3805  2194.71  166.487  2173.89  221.490  2221.76  252.429   85.649   4.4776   86.279   5.0658 -0.6298294 6.761063 
1 1 1    5   10  -35 o   43.654   7.4132  661.365  183.979  594.098  282.389  710.974  242.511   41.024   11.471   46.284   9.3933 -5.260361 14.82637 
1 1 1    5   11  -35 o   15.716   5.3346 -186.8996  122.719 -229.1299  235.266 -171.1143  143.838   17.786   8.4482   13.645   6.5161 4.140793 10.66915 
1 1 1    5   12  -35 o   26.070   6.6521  146.340  138.220  -6.0357  178.767  372.833  217.949   19.170   8.4110   32.971   10.308 -13.80107 13.30426 
1 1 1    5   13  -35 o   27.471   6.0138  233.703  117.673   71.549  169.140  385.812  163.817   20.869   8.6257   34.073   8.3822 -13.20398 12.02765 
1 1 1    5   14  -35 o   23.835   6.5431   79.968  133.948  309.062  222.408 -50.4257  167.793   30.241   10.460   17.429   7.8635 12.81176 13.08612 
1 1 1    5   15  -35 o   21.997   6.4146   90.695  132.193   68.031  191.954  111.141  182.317   21.520   9.0626   22.473   9.0806 -0.9525356 12.82917 
1 1 1    5   16  -35 o   86.933   3.1641  2208.77  150.960  2093.86  184.544  2441.17  262.451   84.032   3.8025   89.834   5.0585 -5.802475 6.328297 
1 1 1    5   17  -35 o   65.531   4.5035  1373.32  152.391  1428.68  182.109  1244.00  278.345   68.954   4.5729   62.108   7.7598 6.845661 9.006989 
1 1 1    5   18  -35 o   55.315   4.9862  952.554  145.950  922.964  174.011  1022.76  268.029   54.890   5.4890   55.741   8.3258 -0.8503494 9.972374 
1 1 1    5   19  -35 o   17.102   5.9482 -438.3828  194.758 -314.1806  309.111 -520.1458  250.801   19.270   9.2928   14.934   7.4276 4.336784 11.89642 
1 1 1    5   20  -35 o   41.821   6.0872  603.291  141.542  633.555  191.673  566.996  209.908   43.519   7.9177   40.123   9.2481 3.396202 12.17445 
1 1 1    5   21  -35 o   15.723   5.3410 -217.4595  140.686 -222.0806  192.093 -212.1132  206.620   15.294   7.3628   16.152   7.7390 -0.8572540 10.68193 
1 1 1    5   22  -35 o   47.122   6.2432  775.969  164.770  901.681  230.848  645.414  235.254   52.288   7.6443   41.957   9.8730 10.33140 12.48645 
1 1 1    5   23  -35 o   66.111   4.5366  1376.38  147.901  1432.88  299.241  1358.12  170.135   65.307   7.9337   66.916   4.4023 -1.609398 9.073254 
1 1 1    5   24  -35 o   36.369   5.7158  466.576  124.318  261.271  173.158  684.966  178.591   26.860   9.2330   45.877   6.7403 -19.01637 11.43157 
1 1 1    5   25  -35 o   59.976   3.9789  1161.06  133.350  1264.59  174.334  1015.07  207.021   64.050   4.7127   55.901   6.4123 8.149632 7.957827 
1 1 1    5    0  -36 o   44.851   7.6116  753.657  170.076  457.657  243.530  1035.48  237.626   32.273   13.235   57.428   7.5219 -0.000000 0.000000 
1 1 1    5    1  -36 o   87.017   4.0765  2294.48  175.839  2282.32  352.637  2298.51  202.858   85.822   7.1145   88.213   3.9818 -2.390945 8.152941 
1 1 1    5    2  -36 o   12.139   4.3229 -497.9240  124.826 -358.0207  195.539 -594.1490  162.167   14.103   6.9289   10.174   5.1711 3.928627 8.645835 
1 1 1    5    3  -36 o   59.223   5.4462  1007.99  153.324  940.579  171.337  1278.94  343.514   55.926   5.3046   62.520   9.5136 -6.593231 10.89250 
1 1 1    5    4  -36 o   58.309   4.7112  1035.01  155.399  989.301  198.910  1106.60  248.950   56.998   6.0424   59.621   7.2299 -2.622883 9.422420 
1 1 1    5    5  -36 o   65.490   4.9695  1372.39  177.356  1487.97  224.152  1178.88  290.027   70.167   5.5313   60.814   8.2575 9.352818 9.938936 
1 1 1    5    6  -36 o   16.161   5.5473 -264.7439  148.382 -454.4836  284.121 -193.5849  173.996   17.254   8.4516   15.068   7.1876 2.185938 11.09465 
1 1 1    5    7  -36 o   95.106   3.7572  2769.39  164.332  2798.37  184.457  2657.89  361.795   97.608   3.2721   92.605   6.7646 5.002647 7.514434 
1 1 1    5    8  -36 o   15.175   5.1361 -241.8065  133.083 -465.2054  214.551 -102.1020  169.667   13.918   6.9137   16.432   7.5973 -2.513708 10.27223 
1 1 1    5    9  -36 o   49.843   6.1421  773.045  164.413  971.506  289.559  678.618  199.733   53.355   9.7562   46.331   7.4644 7.024426 12.28422 
1 1 1    5   10  -36 o   36.395   7.9814  471.553  183.686  395.267  239.614  580.274  286.053   33.309   10.852   39.481   11.706 -6.172825 15.96277 
1 1 1    5   11  -36 o   53.787   6.0052  1004.25  160.885  1095.52  195.076  810.125  284.488   59.886   5.6402   47.688   10.604 12.19811 12.01045 
1 1 1    5   12  -36 o   36.583   7.6490  497.335  156.179  515.317  172.289  414.445  369.899   39.524   7.8246   33.642   13.146 5.881725 15.29798 
1 1 1    5   13  -36 o   33.779   6.9566  403.170  144.607  350.405  200.039  460.924  209.284   31.514   9.8792   36.044   9.7969 -4.530365 13.91322 
1 1 1    5   14  -36 o   28.984   7.2894  288.968  147.654  307.866  173.015  238.305  283.284   29.808   9.1622   28.161   11.340 1.646795 14.57885 
1 1 1    5   15  -36 o   22.680   6.6013  113.777  129.095  100.237  247.710  118.826  151.260   23.863   10.182   21.496   8.4043 2.367447 13.20251 
1 1 1    5   16  -36 o   11.948   6.0399 -674.6507  134.418 -719.9869  179.853 -617.2828  202.316  ?   ?    11.948   6.0399      ?      ? 
1 1 1    5   17  -36 o   34.353   7.5767  408.308  155.037  557.355  288.212  347.617  183.913   37.497   11.872   31.210   9.4168 6.286846 15.15333 
1 1 1    5   18  -36 o   30.447   7.8839  293.849  144.672  447.376  370.816  266.284  157.124   33.219   13.106   27.676   8.7662 5.543133 15.76786 
1 1 1    5   19  -36 o   43.472   4.9798  641.082  115.062  728.544  148.674  510.460  181.692   48.604   5.2964   38.339   8.4346 10.26424 9.959621 
1 1 1    5   20  -36 o   40.634   5.7336  613.064  127.565  770.149  164.600  376.815  201.859   49.585   5.7476   31.683   9.9227 17.90237 11.46716 
1 1 1    5   21  -36 o   51.702   4.5485  879.168  131.123  737.517  200.783  984.505  173.143   47.157   7.3721   56.247   5.3299 -9.090061 9.097059 
1 1 1    5   22  -36 o   25.240   5.4888  176.831  119.836 -145.6560  180.509  430.972  160.243   15.587   7.4025   34.893   8.1063 -19.30669 10.97766 
1 1 1    5   23  -36 o   27.424   6.3881  285.625  140.860   13.933  233.058  441.996  176.809   20.381   9.2245   34.467   8.8396 -14.08607 12.77619 
1 1 1    5    0  -37 o   10.572   5.5055 -795.9862  220.827 -848.4659  290.023 -723.5891  340.642   9.5691   7.0601   11.575   8.4497 -0.000000 0.000000 
1 1 1    5    1  -37 o   33.894   6.6965  405.862  132.145  361.416  237.742  425.734  158.964   31.939   10.821   35.848   7.8918 -3.908175 13.39310 
1 1 1    5    2  -37 o   22.819   6.8019   80.071  155.216  142.065  214.593   12.052  224.778   24.322   9.8432   21.317   9.3902 3.005322 13.60385 
1 1 1    5    3  -37 o   17.636   5.8277 -172.4504  147.937 -289.3868  198.673 -26.9220  221.635   14.930   7.2587   20.342   9.1193 -5.412568 11.65549 
1 1 1    5    4  -37 o   75.970   4.7403  1800.21  178.430  1813.24  356.875  1795.87  206.030   74.602   8.2828   77.338   4.6127 -2.735413 9.480596 
1 1 1    5    5  -37 o   34.719   7.1392  333.262  138.058  220.224  158.014  697.910  283.806   25.976   8.8218   43.462   11.227 -17.48525 14.27842 
1 1 1    5    6  -37 o   56.705   4.3307  1023.80  130.498  1080.33  159.721  910.305  226.330   59.953   4.6128   53.457   7.3309 6.496204 8.661410 
1 1 1    5    7  -37 o   25.089   6.8190  181.139  146.803 -17.4693  268.633  265.707  175.294   22.184   9.9846   27.995   9.2901 -5.810795 13.63809 
1 1 1    5    8  -37 o   23.175   7.0047   0.9404  171.221  264.302  273.759 -168.2732  219.437   28.760   11.289   17.591   8.2965 11.16924 14.00949 
1 1 1    5    9  -37 o   31.680   6.3571  349.900  124.810  261.458  178.506  434.489  174.574   27.740   9.3766   35.619   8.5866 -7.879303 12.71420 
1 1 1    5   10  -37 o   16.851   5.4826 -98.0307  122.102  -9.0469  186.609 -164.6489  161.463   19.078   8.4721   14.623   6.9612 4.454790 10.96511 
1 1 1    5   11  -37 o   17.564   6.0016 -329.3234  178.663 -475.1659  233.307 -122.5266  277.816   14.542   7.2213   20.587   9.5879 -6.044974 12.00315 
1 1 1    5   12  -37 o   14.913   5.3965 -673.0763  176.878 -698.4842  203.467 -594.4724  357.875   11.465   5.8236   18.361   9.0871 -6.896135 10.79300 
1 1 1    5   13  -37 o   42.254   5.7473  635.688  122.096  688.842  145.285  507.884  225.279   47.381   5.3092   37.127   10.195 10.25391 11.49451 
1 1 1    5   14  -37 o   55.512   3.9589  988.071  119.755  1091.07  152.381  821.705  193.666   60.155   4.3861   50.868   6.5920 9.286564 7.917850 
1 1 1    5   15  -37 o   16.401   5.6530 -320.5570  170.702 -336.7031  226.384 -299.2787  259.885   15.473   7.5716   17.329   8.3963 -1.855800 11.30603 
1 1 1    5   16  -37 o   54.565   4.6447  953.012  141.931  945.398  228.540  957.792  181.085   53.704   7.3684   55.426   5.6570 -1.722588 9.289491 
1 1 1    5   17  -37 o   36.732   5.5085  463.473  112.128  433.322  181.630  482.040  142.531   34.605   9.0022   38.859   6.3508 -4.253906 11.01693 
1 1 1    5   18  -37 o   51.019   6.0378  911.641  172.303  957.562  234.846  858.103  253.576   53.473   7.6044   48.564   9.3804 4.908455 12.07554 
1 1 1    5   19  -37 o   38.982   5.3441  533.829  113.627  448.026  180.671  589.975  146.149   34.893   8.9285   43.070   5.8754 -8.176781 10.68819 
1 1 1    5   20  -37 o   45.854   5.6950  729.118  130.250  745.168  246.346  722.890  153.453   43.944   9.9391   47.764   5.5628 -3.819447 11.38990 
1 1 1    5    0  -38 o   12.867   6.5234 -392.0824  216.460 -391.6712  275.536 -392.7452  349.839   11.805   8.4735   13.928   9.9207 -0.000000 0.000000 
1 1 1    5    1  -38 o   35.631   6.2847  489.193  141.540  628.565  173.820  214.911  243.843   44.552   6.7554   26.710   10.600 17.84137 12.56940 
1 1 1    5    2  -38 o   23.440   6.9170  108.455  154.899  177.288  237.416   57.438  204.395   25.510   10.343   21.369   9.1868 4.141039 13.83398 
1 1 1    5    3  -38 o   38.917   6.0387  518.840  131.949  513.000  183.692  525.066  189.659   38.750   8.4464   39.083   8.6326 -0.3335686 12.07740 
1 1 1    5    4  -38 o   51.570   5.5382  795.130  151.564  1075.28  290.106  689.958  177.752   56.393   8.9073   46.747   6.5838 9.646179 11.07639 
1 1 1    5    5  -38 f   20.195   6.3462 -130.7231  159.004  189.922  245.181 -363.4639  208.887   25.941   10.513   14.449   7.1111 11.49288 12.69249 
1 1 1    5    6  -38 o   37.958   6.3270  498.088  138.887  671.299  206.021  353.792  188.041   44.490   8.3240   31.427   9.5307 13.06249 12.65400 
1 1 1    5    7  -38 o   52.762   5.5173  889.971  158.552  987.539  278.097  842.983  192.991   53.859   8.9403   51.665   6.4678 2.194153 11.03456 
1 1 1    5    8  -38 o   16.146   5.3690 -142.4509  128.722 -77.3646  185.761 -202.5717  178.534   17.414   8.0148   14.878   7.1460 2.535312 10.73794 
1 1 1    5    9  -38 o   26.996   6.6563  262.956  130.872  317.296  148.655   75.718  275.939   30.255   8.2707   23.737   10.432 6.518179 13.31251 
1 1 1    5   10  -38 o   20.599   6.9077 -208.2048  169.682  159.181  366.577 -308.3862  191.424   27.091   11.960   14.108   6.9159 12.98331 13.81533 
1 1 1    5   11  -38 o   76.712   3.5826  1812.29  157.017  1850.52  209.094  1762.86  237.772   78.010   4.6410   75.414   5.4591 2.595276 7.165222 
1 1 1    5   12  -38 o   23.420   6.6514  148.947  141.901  219.144  185.745   50.552  219.910   25.509   9.4676   21.332   9.3450 4.177021 13.30286 
1 1 1    5   13  -38 o   20.004   6.4658 -30.0921  146.744 -60.7970  171.152   55.123  285.125   16.844   7.7308   23.163   10.366 -6.318521 12.93161 
1 1 1    5   14  -38 o   19.346   6.1212 -70.8635  140.204  163.917  230.815 -208.1425  176.496   24.195   10.045   14.497   6.9989 9.697606 12.24243 
1 1 1    5   15  -38 o   16.165   5.3962 -128.5368  130.638 -105.2960  196.348 -146.9968  174.991   17.023   7.9715   15.308   7.2753 1.715573 10.79235 
1 1 1    5   16  -38 o   34.354   6.3654  455.160  129.994  357.390  205.802  520.063  167.679   30.112   10.069   38.596   7.7907 -8.484592 12.73075 
1 1 1    5    0  -39 o  154.490   2.8200  6894.67  223.270  7369.32  434.477  6724.35  260.264  157.303   4.7925  151.677   2.9736 -0.000000 0.000000 
1 1 1    5    1  -39 o  ?   ?  -947.4454  164.981   0.0000   0.0000 -947.4454  164.981  ?   ?   ?   ?       ?      ? 
1 1 1    5    2  -39 o   31.552   7.2637  372.714  148.017  383.500  252.453  367.063  182.718   31.398   11.123   31.706   9.3441 -0.3081970 14.52732 
1 1 1    5    3  -39 o   17.578   6.1509 -439.1474  203.515 -500.9919  248.292 -312.5330  355.266   14.789   7.3613   20.368   9.8562 -5.578897 12.30176 
1 1 1    5    4  -39 o   24.286   9.1908  189.417  176.817   0.0000   0.0000  189.417  176.817  ?   ?    24.286   9.1908      ?      ? 
1 1 1    5    5  -39 o   43.879   5.3074  664.433  125.730  770.484  166.061  521.975  192.466   49.537   5.8043   38.220   8.8873 11.31691 10.61480 
1 1 1    5    6  -39 o   27.609   6.8905  260.022  138.385  172.135  181.859  380.913  213.288   23.671   9.2261   31.547   10.237 -7.876003 13.78099 
1 1 1    5    7  -39 o   16.495   5.6027 -265.0283  159.794 -74.3276  222.777 -467.1150  229.331   18.796   8.6959   14.194   7.0669 4.602026 11.20539 
1 1 1    5    8  -39 o   21.241   6.4808   73.852  143.043   61.372  186.981   91.461  222.113   20.328   8.7630   22.154   9.5506 -1.826530 12.96165 
1 1 1    5    9  -39 o   17.837   6.0710 -154.2771  149.795 -145.0269  316.256 -156.9526  170.084   20.755   9.8398   14.920   7.1138 5.835114 12.14203 
1 1 1    5   10  -39 o   14.302   5.0646 -414.1726  152.999 -357.0652  179.293 -567.1691  293.466   12.777   6.3425   15.826   7.8977 -3.048855 10.12921 
1 1 1    5   11  -39 o   41.498   6.8245  653.222  160.719  603.393  227.187  703.144  227.396   39.495   9.9613   43.500   9.3309 -4.005440 13.64893 
1 1 1    5   12  -39 o   51.326   5.1499  889.036  151.480  773.804  212.924  1007.13  215.552   47.442   7.7710   55.210   6.7601 -7.767479 10.29984 
1 1 1    5    0  -40 o   31.345   13.151  477.258  239.174   0.0000   0.0000  477.258  239.174   31.345   13.151   31.345   13.151 -0.000000 0.000000 
1 1 1    5    1  -40 o  122.480   2.6926  4534.28  189.901  4414.08  276.970  4640.91  260.873  120.712   3.9728  124.248   3.6354 -3.535774 5.385114 
1 1 1    5    2  -40 o   18.912   6.2084 -100.7104  147.896 -195.3779  177.848  111.521  266.289   14.609   7.0458   23.216   10.224 -8.607769 12.41672 
1 1 1    5    3  -40 o   17.287   5.7651 -122.2011  139.756 -17.4628  238.193 -177.1879  172.586   19.974   9.1496   14.601   7.0163 5.372698 11.53014 
1 1 1    6    0    0 o  569.830   3.4167 93837.29  1123.53 89785.60  1587.09 97907.59  1590.73  557.488   4.9301  582.172   4.7318 -0.000000 0.000000 
1 1 1    6    1    0 o  363.069   1.6222 38073.65  340.125 38173.89  480.346 37972.85  481.676  363.549   2.2879  362.590   2.3003 -0.000000 0.000000 
1 1 1    6    2    0 o  566.691   2.9265 93024.38  901.839 93522.23  1104.74 92029.80  1561.43  569.011   3.3619  564.372   4.7912 -0.000000 0.000000 
1 1 1    6    3    0 o  333.210   2.1417 32076.67  412.038 31642.67  583.345 32508.79  582.075  330.958   3.0525  335.461   3.0049 -0.000000 0.000000 
1 1 1    6    4    0 o  212.276   1.3599 12988.15  157.284 12931.77  192.583 13101.09  272.567  211.596   1.5761  212.956   2.2167 -0.000000 0.000000 
1 1 1    6    5    0 o   36.734   3.8229  408.966   75.016  483.974  113.393  350.590  100.036   39.970   5.1465   33.498   5.6544 -0.000000 0.000000 
1 1 1    6    6    0 o   29.257   5.0665  286.132   73.499  277.957   96.994  297.158  112.637   28.997   6.6504   29.518   7.6453 -0.000000 0.000000 
1 1 1    6    7    0 o  114.413   1.3814  3778.16   82.928  3770.56   98.499  3796.65  153.682  114.237   1.4935  114.588   2.3243 -0.000000 0.000000 
1 1 1    6    8    0 o  690.103   2.8961 137568.91  1154.19 137104.30  1630.77 138035.30  1633.79  688.935   4.0989  691.271   4.0926 -0.000000 0.000000 
1 1 1    6    9    0 o  951.735   4.8085 262017.50  2496.63 262564.31  3065.72 260940.91  4302.00  953.320   5.5685  950.150   7.8408 -0.000000 0.000000 
1 1 1    6   10    0 o  235.237   1.4856 16009.09  189.547 16056.98  231.477 15911.62  330.227  235.784   1.7000  234.690   2.4369 -0.000000 0.000000 
1 1 1    6   11    0 o  560.380   2.3868 90704.91  772.392 90163.06  1094.51 91242.47  1090.16  558.712   3.3922  562.048   3.3587 -0.000000 0.000000 
1 1 1    6   12    0 o  299.490   1.4111 25908.02  244.024 25576.71  345.798 26236.68  344.411  297.582   2.0122  301.399   1.9788 -0.000000 0.000000 
1 1 1    6   13    0 o  779.371   3.2631 175449.70  1468.64 176477.00  2084.22 174436.41  2069.80  781.637   4.6173  777.105   4.6121 -0.000000 0.000000 
1 1 1    6   14    0 o  698.667   3.6333 141019.41  1379.95 140991.50  2397.12 141033.20  1687.63  698.571   5.9424  698.762   4.1821 -0.000000 0.000000 
1 1 1    6   15    0 o  559.283   2.3843 90341.61  770.086 90824.69  1093.73 89866.69  1084.46  560.765   3.3774  557.800   3.3666 -0.000000 0.000000 
1 1 1    6   16    0 o  551.824   2.3597 87949.78  751.966 88141.16  1068.31 87761.85  1058.64  552.419   3.3487  551.229   3.3256 -0.000000 0.000000 
1 1 1    6   17    0 f  307.810   1.7974 27428.29  300.371 27188.17  521.954 27547.19  367.282  306.786   2.9465  308.833   2.0594 -0.000000 0.000000 
1 1 1    6   18    0 o  196.372   1.4436 11130.06  154.940 11169.17  266.402 11110.07  190.467  196.620   2.3467  196.122   1.6818 -0.000000 0.000000 
1 1 1    6   19    0 o  117.307   2.0680  3954.73  138.614  3796.48  182.429  4170.90  213.210  114.556   2.7610  120.057   3.0795 -0.000000 0.000000 
1 1 1    6   20    0 o  200.499   1.8108 11628.94  209.063 11821.31  286.837 11410.93  305.350  202.276   2.4561  198.723   2.6616 -0.000000 0.000000 
1 1 1    6   21    0 o  104.005   2.2605  2973.91  131.579  2492.31  163.905  3846.81  220.665   92.744   3.0676  115.266   3.3210 -0.000000 0.000000 
1 1 1    6   22    0 o   73.454   3.2583  1580.58  133.551  1593.91  171.460  1560.01  212.950   73.956   4.0419   72.953   5.1118 -0.000000 0.000000 
1 1 1    6   23    0 o  372.338   2.5024 40204.03  535.284 35662.89  758.921 44699.64  755.107  351.320   3.7413  393.355   3.3244 -0.000000 0.000000 
1 1 1    6   24    0 o  199.957   2.4875 11552.80  287.163 11552.80  287.163   0.0000   0.0000  199.957   2.4875  199.957   2.4875 -0.000000 0.000000 
1 1 1    6   25    0 o  340.572   3.2643 33512.65  641.945 33512.65  641.945   0.0000   0.0000  340.572   3.2643  340.572   3.2643 -0.000000 0.000000 
1 1 1    6   26    0 o  226.142   1.9236 14824.19  250.359 15688.38  347.737 13894.14  360.743  233.017   2.5846  219.268   2.8497 -0.000000 0.000000 
1 1 1    6   27    0 o  259.086   2.0184 19407.92  301.733 18634.54  427.669 20174.43  425.766  253.939   2.9169  264.234   2.7907 -0.000000 0.000000 
1 1 1    6   28    0 o  216.497   2.5965 13544.87  324.555   0.0000   0.0000 13544.87  324.555  216.497   2.5965  216.497   2.5965 -0.000000 0.000000 
1 1 1    6   29    0 o  172.445   2.7562  8597.26  274.343   0.0000   0.0000  8597.26  274.343  172.445   2.7562  172.445   2.7562 -0.000000 0.000000 
1 1 1    6   30    0 o   98.817   3.7587  2834.44  213.807   0.0000   0.0000  2834.44  213.807   98.817   3.7587   98.817   3.7587 -0.000000 0.000000 
1 1 1    6   31    0 o   32.869   11.522  411.214  198.193   0.0000   0.0000  411.214  198.193   32.869   11.522   32.869   11.522 -0.000000 0.000000 
1 1 1    6   32    0 o  119.557   2.0454  4132.71  141.142   0.0000   0.0000  4132.71  141.142  119.557   2.0454  119.557   2.0454 -0.000000 0.000000 
1 1 1    6   33    0 o  188.975   2.0832 10320.23  227.297   0.0000   0.0000 10320.23  227.297  188.975   2.0832  188.975   2.0832 -0.000000 0.000000 
1 1 1    6   34    0 o  413.418   2.7160 49396.62  648.421   0.0000   0.0000 49396.62  648.421  413.418   2.7160  413.418   2.7160 -0.000000 0.000000 
1 1 1    6   35    0 o  201.372   2.0346 11718.27  236.578   0.0000   0.0000 11718.27  236.578  201.372   2.0346  201.372   2.0346 -0.000000 0.000000 
1 1 1    6   36    0 o  284.962   2.1988 23465.06  361.823   0.0000   0.0000 23465.06  361.823  284.962   2.1988  284.962   2.1988 -0.000000 0.000000 
1 1 1    6   37    0 o   28.352   11.133  321.795  174.726   0.0000   0.0000  321.795  174.726   28.352   11.133   28.352   11.133 -0.000000 0.000000 
1 1 1    6   38    0 o   11.215   8.0576 -422.8633  251.797   0.0000   0.0000 -422.8633  251.797   11.215   8.0576   11.215   8.0576 -0.000000 0.000000 
1 1 1    6   39    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   40    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   41    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   42    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   43    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   44    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   45    0 o   23.858   12.616  260.386  232.711   0.0000   0.0000  260.386  232.711   23.858   12.616   23.858   12.616 -0.000000 0.000000 
1 1 1    6   46    0 o   29.813   10.191  346.912  157.553   0.0000   0.0000  346.912  157.553   29.813   10.191   29.813   10.191 -0.000000 0.000000 
1 1 1    6   47    0 o   69.403   4.4975  1430.64  178.539   0.0000   0.0000  1430.64  178.539   69.403   4.4975   69.403   4.4975 -0.000000 0.000000 
1 1 1    6   48    0 o   65.567   4.7344  1286.39  177.136   0.0000   0.0000  1286.39  177.136   65.567   4.7344   65.567   4.7344 -0.000000 0.000000 
1 1 1    6   49    0 o   18.335   10.297  153.897  164.898   0.0000   0.0000  153.897  164.898   18.335   10.297   18.335   10.297 -0.000000 0.000000 
1 1 1    6   50    0 o   65.758   4.5823  1297.11  172.085   0.0000   0.0000  1297.11  172.085   65.758   4.5823   65.758   4.5823 -0.000000 0.000000 
1 1 1    6   51    0 o   85.337   3.8578  2158.38  189.250   0.0000   0.0000  2158.38  189.250   85.337   3.8578   85.337   3.8578 -0.000000 0.000000 
1 1 1    6    0   -1 f  273.851   1.6101 21530.80  240.319 21269.48  293.802 22059.11  417.749  271.368   1.8748  276.335   2.6181 -0.000000 0.000000 
1 1 1    6    1   -1 o  370.065   1.9093 39812.23  352.010 40066.34  406.334 39047.91  704.709  372.468   1.8889  367.663   3.3187 4.805176 3.818644 
1 1 1    6    2   -1 o  207.318   1.3369 12344.50  138.482 12549.56  278.536 12277.16  159.606  208.450   2.3136  206.186   1.3403 2.263763 2.673816 
1 1 1    6    3   -1 o   47.793   1.6450  660.707   42.258  657.020   74.938  662.426   51.169   47.694   2.7205   47.893   1.8499 -0.1986465 3.289902 
1 1 1    6    4   -1 o   77.781   1.5695  1744.67   68.486  1736.35   86.957  1758.27  111.141   77.538   1.9418   78.024   2.4664 -0.4852448 3.139057 
1 1 1    6    5   -1 o  206.344   0.9099 12296.13  108.430 12188.25  153.335 12404.03  153.350  205.439   1.2923  207.249   1.2812 -1.810638 1.819756 
1 1 1    6    6   -1 o  195.377   0.9022 11023.11  101.805 10969.06  143.327 11078.14  144.631  194.893   1.2733  195.860   1.2786 -0.9666595 1.804489 
1 1 1    6    7   -1 o  613.769   2.1248 108810.10  753.210 108843.00  1065.36 108777.20  1065.04  613.862   3.0050  613.676   3.0050 0.1856079 4.249678 
1 1 1    6    8   -1 o  106.861   1.4880  3326.90   82.244  3232.71  154.969  3363.83   97.038  105.796   2.5362  107.926   1.5568 -2.129799 2.975913 
1 1 1    6    9   -1 o  524.645   1.7224 79619.08  516.381 78634.19  787.282 80362.71  684.088  521.787   2.6125  527.502   2.2454 -5.714722 3.444857 
1 1 1    6   10   -1 o  131.273   1.1878  4989.16   79.540  4949.80  154.048  5003.47   92.878  130.917   2.0374  131.629   1.2217 -0.7116241 2.375623 
1 1 1    6   11   -1 o  147.235   0.8952  6256.46   72.069  6248.45   88.619  6272.10  123.848  147.097   1.0431  147.374   1.4551 -0.2766418 1.790343 
1 1 1    6   12   -1 o  122.614   0.9116  4337.35   64.485  4258.19   88.780  4425.76   93.821  121.431   1.2659  123.797   1.3122 -2.366058 1.823299 
1 1 1    6   13   -1 o  445.185   1.3707 57235.38  352.435 57222.06  498.627 57248.66  498.210  445.134   1.9395  445.237   1.9375 -0.1034851 2.741465 
1 1 1    6   14   -1 o  341.851   1.4266 33750.72  276.169 33737.89  435.677 33759.35  357.073  341.794   2.2071  341.907   1.8083 -0.1130371 2.853237 
1 1 1    6   15   -1 o  100.243   1.3575  2902.14   78.565  2910.07  109.739  2893.79  112.529  100.383   1.8928  100.102   1.9464 0.2813339 2.715021 
1 1 1    6   16   -1 o  624.697   2.0226 112601.00  722.550 111958.40  955.682 113458.60  1103.96  622.624   2.6577  626.770   3.0497 -4.146362 4.045253 
1 1 1    6   17   -1 o  395.325   1.7344 45134.80  395.991 45033.72  560.751 45235.35  559.284  394.883   2.4588  395.767   2.4469 -0.8832397 3.468801 
1 1 1    6   18   -1 o  124.226   1.2142  4455.30   87.104  4548.97  124.386  4365.16  122.016  125.507   1.7160  122.945   1.7184 2.561790 2.428486 
1 1 1    6   19   -1 f  289.109   2.0110 24138.78  335.781   0.0000   0.0000 24138.78  335.781  ?   ?   289.109   2.0110      ?      ? 
1 1 1    6   20   -1 o  199.753   1.8144 11523.25  209.319 11523.25  209.319   0.0000   0.0000  199.753   1.8144  ?   ?       ?      ? 
1 1 1    6   21   -1 o  676.974   3.6584 132381.41  1359.78 132260.41  1679.66 132611.41  2316.29  676.599   4.2984  677.349   5.9210 -0.7492065 7.316721 
1 1 1    6   22   -1 o  416.852   2.3332 50278.95  533.129 50461.98  658.112 49929.55  909.299  417.980   2.7262  415.725   3.7872 2.254700 4.666358 
1 1 1    6   23   -1 o  300.896   1.8426 26076.34  301.380 26373.04  525.216 25930.69  367.994  302.157   3.0097  299.636   2.1265 2.520386 3.685118 
1 1 1    6   24   -1 o  711.968   4.0723 146481.91  1674.51   0.0000   0.0000 146481.91  1674.51  ?   ?   711.968   4.0723      ?      ? 
1 1 1    6   25   -1 o  172.103   1.7228  8553.26  171.182  8228.07  239.988  8890.09  244.243  168.773   2.4621  175.433   2.4106 -6.659470 3.445689 
1 1 1    6   26   -1 o  145.131   1.7907  6091.75  149.304  6155.24  201.663  6014.72  222.110  145.972   2.3921  144.290   2.6653 1.682007 3.581310 
1 1 1    6   27   -1 o  122.529   2.2449  4358.13  158.150  4014.31  228.258  4675.57  219.327  117.855   3.3534  127.203   2.9854 -9.347862 4.489807 
1 1 1    6   28   -1 o  289.027   2.0337 24136.94  339.446 23871.72  476.413 24410.42  483.770  287.415   2.8700  290.638   2.8820 -3.223938 4.067351 
1 1 1    6   29   -1 o  202.788   1.9031 11882.79  222.698 11855.03  308.380 11913.06  321.944  202.543   2.6362  203.032   2.7456 -0.4889526 3.806278 
1 1 1    6   30   -1 o  169.525   1.9713  8308.77  192.876  8363.41  268.396  8250.41  277.360  170.105   2.7320  168.945   2.8426 1.159424 3.942564 
1 1 1    6   31   -1 o  114.745   2.3530  3765.14  154.908  3242.12  207.788  4419.50  232.420  105.872   3.3983  123.618   3.2554 -17.74612 4.705939 
1 1 1    6   32   -1 o   75.422   3.8064  1646.56  165.807   0.0000   0.0000  1646.56  165.807  ?   ?    75.422   3.8064      ?      ? 
1 1 1    6   33   -1 o   90.022   3.3337  2344.85  173.323   0.0000   0.0000  2344.85  173.323  ?   ?    90.022   3.3337      ?      ? 
1 1 1    6   34   -1 o  302.354   2.1564 26422.52  376.549   0.0000   0.0000 26422.52  376.549  ?   ?   302.354   2.1564      ?      ? 
1 1 1    6   35   -1 o   90.181   3.5302  2354.24  183.866   0.0000   0.0000  2354.24  183.866  ?   ?    90.181   3.5302      ?      ? 
1 1 1    6   36   -1 o  198.509   2.1079 11464.14  239.514 11955.37  322.267 10857.96  357.992  203.314   2.7445  193.704   3.2000 9.609772 4.215707 
1 1 1    6   37   -1 o  171.210   2.1975  8473.80  217.293  8473.80  217.293   0.0000   0.0000  171.210   2.1975  ?   ?       ?      ? 
1 1 1    6   38   -1 o  138.972   2.4419  5585.28  195.990  5585.28  195.990   0.0000   0.0000  138.972   2.4419  ?   ?       ?      ? 
1 1 1    6   39   -1 o   79.990   5.8653  1865.59  270.966  1865.59  270.966   0.0000   0.0000   79.990   5.8653  ?   ?       ?      ? 
1 1 1    6   40   -1 o   63.345   5.2357  1169.20  191.545  1169.20  191.545   0.0000   0.0000   63.345   5.2357  ?   ?       ?      ? 
1 1 1    6   41   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   42   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   43   -1 o   59.625   5.3465  1044.81  184.113   0.0000   0.0000  1044.81  184.113  ?   ?    59.625   5.3465      ?      ? 
1 1 1    6   44   -1 o  106.953   3.1163  3328.59  192.492   0.0000   0.0000  3328.59  192.492  ?   ?   106.953   3.1163      ?      ? 
1 1 1    6   45   -1 o   57.485   5.0678  979.179  168.251   0.0000   0.0000  979.179  168.251  ?   ?    57.485   5.0678      ?      ? 
1 1 1    6   46   -1 o  109.464   2.8011  3495.68  177.087   0.0000   0.0000  3495.68  177.087  ?   ?   109.464   2.8011      ?      ? 
1 1 1    6   47   -1 f   47.979   6.2025  706.095  171.871   0.0000   0.0000  706.095  171.871  ?   ?    47.979   6.2025      ?      ? 
1 1 1    6   48   -1 o   60.218   4.6644  1152.00  158.539  1356.18  218.744  926.059  230.102   66.521   5.6936   53.914   7.3899 12.60756 9.328849 
1 1 1    6   49   -1 o   47.592   6.2502  707.794  171.797   0.0000   0.0000  707.794  171.797  ?   ?    47.592   6.2502      ?      ? 
1 1 1    6   50   -1 o   40.124   7.3367  598.435  184.941  911.396  271.254  326.584  252.811   50.469   9.6579   29.779   11.047 20.69039 14.67334 
1 1 1    6   51   -1 o   86.697   3.7991  2332.41  189.796  2532.38  279.314  2160.88  258.694   90.143   5.3651   83.251   5.3803 6.891495 7.598163 
1 1 1    6    0   -2 o   75.186   1.8743  1635.54   81.275  1635.54   81.275   0.0000   0.0000   75.186   1.8743   75.186   1.8743 -0.000000 0.000000 
1 1 1    6    1   -2 o  358.961   1.7894 36986.39  322.007 37679.16  644.711 36756.12  371.688  361.170   3.0908  356.752   1.8040 4.417847 3.578715 
1 1 1    6    2   -2 o  621.622   3.0244 112084.80  935.187 110781.70  1880.02 112513.30  1078.02  619.126   5.2577  624.118   2.9907 -4.992432 6.048810 
1 1 1    6    3   -2 o  353.527   1.2937 36094.43  264.136 36169.78  374.075 36019.50  373.017  353.895   1.8302  353.159   1.8288 0.7359314 2.587328 
1 1 1    6    4   -2 o   69.652   1.6097  1429.29   56.761  1342.55  109.668  1461.03   66.337   68.177   2.7852   71.127   1.6149 -2.949951 3.219482 
1 1 1    6    5   -2 o  132.732   1.1820  5111.80   79.561  5038.10  155.239  5138.06   92.654  132.078   2.0351  133.387   1.2027 -1.308914 2.363933 
1 1 1    6    6   -2 o  517.436   1.9876 77201.74  582.039 77984.27  922.231 76683.70  750.356  519.600   3.0732  515.271   2.5214 4.329163 3.975158 
1 1 1    6    7   -2 o  262.219   1.5106 19856.86  228.772   0.0000   0.0000 19856.86  228.772  ?   ?   262.219   1.5106      ?      ? 
1 1 1    6    8   -2 o  209.527   1.4172 12752.28  160.180 12887.40  194.976 12471.75  280.940  211.247   1.5981  207.805   2.3408 3.441925 2.834337 
1 1 1    6    9   -2 o  460.298   1.5291 61158.48  402.626 61416.04  613.898 60964.09  533.356  461.144   2.3050  459.451   2.0100 1.693237 3.058291 
1 1 1    6   10   -2 o  201.097   0.9730 11619.54  107.133 11862.59  184.428 11495.75  131.617  202.675   1.5756  199.519   1.1422 3.155991 1.946038 
1 1 1    6   11   -2 o  426.294   1.5247 52482.23  375.393 52197.63  530.594 52767.45  531.179  425.136   2.1610  427.451   2.1516 -2.314392 3.049483 
1 1 1    6   12   -2 o  454.177   1.7935 59596.69  460.919 59688.73  595.198 59458.80  728.494  454.621   2.2669  453.734   2.7800 0.8866577 3.587048 
1 1 1    6   13   -2 o  487.435   1.5983 68572.80  445.525 68923.75  680.174 68309.09  589.619  488.524   2.4107  486.347   2.0991 2.177612 3.196560 
1 1 1    6   14   -2 o  109.783   1.1706  3474.85   74.112  3381.36  101.614  3581.11  108.329  108.208   1.6260  111.358   1.6844 -3.150101 2.341126 
1 1 1    6   15   -2 o  251.557   1.5043 18293.13  187.847 18239.64  379.656 18310.46  216.161  251.308   2.6158  251.805   1.4864 -0.4966583 3.008571 
1 1 1    6   16   -2 o  143.846   1.0973  5975.84   91.144  6003.05  127.959  5947.82  129.856  144.178   1.5367  143.513   1.5667 0.6649017 2.194527 
1 1 1    6   17   -2 o  357.498   1.2485 36905.83  255.020 36890.85  336.842 36925.94  390.349  357.414   1.6318  357.581   1.8901 -0.1671448 2.497083 
1 1 1    6   18   -2 o  478.275   2.1028 66073.05  580.747 65641.55  826.912 66493.02  815.800  476.733   3.0033  479.816   2.9439 -3.083588 4.205520 
1 1 1    6   19   -2 o  428.062   2.3190 52818.76  544.597 52585.45  671.517 53267.08  930.851  426.699   2.7249  429.425   3.7532 -2.726593 4.638097 
1 1 1    6   20   -2 o  188.232   1.5530 10211.89  159.213 10170.49  194.843 10295.09  276.199  187.662   1.7977  188.801   2.5330 -1.139008 3.106091 
1 1 1    6   21   -2 o  265.071   1.8942 20294.89  289.932 20229.94  413.654 20357.61  406.492  264.653   2.7063  265.488   2.6511 -0.8348694 3.788431 
1 1 1    6   22   -2 o  219.626   1.3422 13932.03  170.238 13813.31  241.848 14048.62  239.672  218.699   1.9147  220.554   1.8816 -1.855255 2.684494 
1 1 1    6   23   -2 o  339.125   2.3617 33218.25  462.498 32866.27  648.083 33583.54  660.229  337.295   3.3269  340.954   3.3528 -3.659576 4.723301 
1 1 1    6   24   -2 f  362.701   2.4343 37998.29  509.933   0.0000   0.0000 37998.29  509.933  ?   ?   362.701   2.4343      ?      ? 
1 1 1    6   25   -2 o  174.422   1.7609  8806.01  176.954  8469.48  256.284  9112.61  244.623  171.228   2.5916  177.615   2.3847 -6.386948 3.521780 
1 1 1    6   26   -2 o  316.154   2.2341 28878.54  407.642 27447.62  572.296 30352.22  580.783  308.202   3.2151  324.107   3.1027 -15.90460 4.468101 
1 1 1    6   27   -2 o   98.034   2.6593  2776.77  150.566   0.0000   0.0000  2776.77  150.566  ?   ?    98.034   2.6593      ?      ? 
1 1 1    6   28   -2 o  201.261   1.8839 11715.00  218.760 12012.45  305.098 11400.27  313.834  203.896   2.5909  198.626   2.7358 5.270233 3.767884 
1 1 1    6   29   -2 o  468.051   3.1474 63425.17  848.299 63824.23  1158.15 62963.26  1246.01  469.679   4.2695  466.423   4.6255 3.255829 6.294749 
1 1 1    6   30   -2 o  105.127   2.4802  3168.26  148.837  3023.49  194.285  3373.92  231.560  102.256   3.2898  107.999   3.7124 -5.743729 4.960325 
1 1 1    6   31   -2 o  163.796   1.9732  7751.90  186.661   0.0000   0.0000  7751.90  186.661  ?   ?   163.796   1.9732      ?      ? 
1 1 1    6   32   -2 o  161.521   1.9117  7538.27  178.332   0.0000   0.0000  7538.27  178.332  ?   ?   161.521   1.9117      ?      ? 
1 1 1    6   33   -2 o  188.303   1.5640 10243.81  170.092   0.0000   0.0000 10243.81  170.092  ?   ?   188.303   1.5640      ?      ? 
1 1 1    6   34   -2 o  240.719   2.0097 16722.55  277.798 16431.97  371.913 17089.28  417.811  238.376   2.7014  243.061   2.9763 -4.684647 4.019471 
1 1 1    6   35   -2 o   57.536   5.7001  962.091  189.413  962.091  189.413   0.0000   0.0000   57.536   5.7001  ?   ?       ?      ? 
1 1 1    6   36   -2 o   89.333   4.1475  2312.69  213.984  2312.69  213.984   0.0000   0.0000   89.333   4.1475  ?   ?       ?      ? 
1 1 1    6   37   -2 o   64.207   5.6538  1198.96  209.655  1198.96  209.655   0.0000   0.0000   64.207   5.6538  ?   ?       ?      ? 
1 1 1    6   38   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   39   -2 o  186.328   2.0516 10037.59  220.779 10037.59  220.779   0.0000   0.0000  186.328   2.0516  ?   ?       ?      ? 
1 1 1    6   40   -2 o   23.537   8.8932  121.641  165.387  121.641  165.387   0.0000   0.0000   23.537   8.8932  ?   ?       ?      ? 
1 1 1    6   41   -2 o  100.553   2.8362  2847.64  153.883  2695.60  184.701  3192.67  278.241   96.403   3.3173  104.703   4.6012 -8.300003 5.672408 
1 1 1    6   42   -2 o   47.031   6.4113  662.838  169.625  518.887  225.153  851.780  257.949   40.673   9.7177   53.389   8.3656 -12.71521 12.82256 
1 1 1    6   43   -2 o   94.681   3.4466  2608.05  188.468   0.0000   0.0000  2608.05  188.468  ?   ?    94.681   3.4466      ?      ? 
1 1 1    6   44   -2 o   54.763   6.2251  892.927  196.888   0.0000   0.0000  892.927  196.888  ?   ?    54.763   6.2251      ?      ? 
1 1 1    6   45   -2 o   67.811   4.4964  1355.54  176.097   0.0000   0.0000  1355.54  176.097  ?   ?    67.811   4.4964      ?      ? 
1 1 1    6   46   -2 o   25.129   8.7192  190.209  154.598   0.0000   0.0000  190.209  154.598  ?   ?    25.129   8.7192      ?      ? 
1 1 1    6   47   -2 o   64.168   4.6057  1230.23  170.688   0.0000   0.0000  1230.23  170.688  ?   ?    64.168   4.6057      ?      ? 
1 1 1    6   48   -2 o   61.716   4.5452  1143.15  162.008   0.0000   0.0000  1143.15  162.008  ?   ?    61.716   4.5452      ?      ? 
1 1 1    6   49   -2 o   89.303   3.4837  2362.07  179.678   0.0000   0.0000  2362.07  179.678  ?   ?    89.303   3.4837      ?      ? 
1 1 1    6   50   -2 o   76.432   4.1459  1756.18  183.013   0.0000   0.0000  1756.18  183.013  ?   ?    76.432   4.1459      ?      ? 
1 1 1    6   51   -2 o   53.141   5.9937  896.787  183.956   0.0000   0.0000  896.787  183.956  ?   ?    53.141   5.9937      ?      ? 
1 1 1    6    0   -3 o  595.837   3.5608 102584.20  1225.12 101756.10  1734.63 103408.40  1730.53  593.435   5.0620  598.239   5.0094 -0.000000 0.000000 
1 1 1    6    1   -3 o  423.046   2.0811 51618.07  441.533 51847.30  880.458 51541.05  510.344  423.646   3.5985  422.446   2.0917 1.199799 4.162270 
1 1 1    6    2   -3 o  193.110   1.2641 10787.90  122.102 10806.16  141.055 10733.31  243.874  193.441   1.2626  192.779   2.1904 0.6622162 2.528219 
1 1 1    6    3   -3 o  441.014   1.7888 56135.95  446.229 55983.89  575.216 56365.75  707.142  440.273   2.2622  441.755   2.7717 -1.482697 3.577635 
1 1 1    6    4   -3 f  325.646   1.7472 30551.46  283.293 30477.06  326.195 30779.82  571.468  324.855   1.7386  326.436   3.0312 -1.580994 3.494374 
1 1 1    6    5   -3 o  343.209   1.8807 34175.94  321.118 34326.71  370.232 33718.09  645.187  344.761   1.8594  341.656   3.2697 3.104126 3.761436 
1 1 1    6    6   -3 o  337.079   1.3788 32754.96  263.387 33120.14  415.671 32509.98  340.458  338.643   2.1253  335.516   1.7570 3.127472 2.757516 
1 1 1    6    7   -3 o  469.574   2.2835 63618.74  496.065 63812.02  1108.14 63570.31  554.756  469.983   4.0825  469.166   2.0473 0.8168030 4.567096 
1 1 1    6    8   -3 o  117.200   1.2823  3994.76   74.973  3911.35  149.725  4022.67   86.614  116.375   2.2277  118.024   1.2707 -1.649231 2.564582 
1 1 1    6    9   -3 o  249.652   1.5917 18055.36  214.480 17844.22  376.772 18156.58  260.875  248.564   2.6246  250.740   1.8015 -2.176071 3.183317 
1 1 1    6   10   -3 o  748.556   2.5723 161847.20  1112.06 160823.50  1567.27 162885.20  1578.18  746.172   3.6368  750.940   3.6389 -4.767639 5.144670 
1 1 1    6   11   -3 o  558.427   2.2171 89908.28  700.797 90861.02  1109.99 89276.80  903.680  560.873   3.4266  555.981   2.8143 4.891602 4.434193 
1 1 1    6   12   -3 o  641.659   2.1916 118914.90  812.190 119028.20  1147.08 118801.00  1150.15  641.966   3.0938  641.353   3.1051 0.6132202 4.383292 
1 1 1    6   13   -3 o  353.101   1.4226 36008.72  284.464 36017.67  367.835 35995.41  448.691  353.158   1.8034  353.044   2.2006 0.1137085 2.845141 
1 1 1    6   14   -3 o  302.587   1.0994 26448.63  190.090 26385.86  290.623 26495.57  251.300  302.272   1.6647  302.902   1.4365 -0.6294250 2.198839 
1 1 1    6   15   -3 o  167.934   1.3509  8173.71  109.282  8091.34  230.220  8197.66  124.161  167.384   2.3815  168.485   1.2760 -1.101593 2.701758 
1 1 1    6   16   -3 o  412.415   1.7829 49121.93  424.652 49055.16  603.613 49187.36  597.530  412.137   2.5359  412.693   2.5070 -0.5554810 3.565897 
1 1 1    6   17   -3 o  235.102   1.2483 15962.05  169.501 15950.51  239.335 15973.67  240.090  235.016   1.7633  235.187   1.7676 -0.1705475 2.496689 
1 1 1    6   18   -3 o  661.696   4.2983 126527.40  1642.60 126377.40  2329.68 126675.80  2316.35  661.304   6.0997  662.088   6.0576 -0.7832642 8.596598 
1 1 1    6   19   -3 o  395.076   1.8517 45076.84  422.486 45534.28  600.063 44627.18  594.942  397.063   2.6167  393.088   2.6206 3.975006 3.703316 
1 1 1    6   20   -3 o  450.408   1.8377 58619.36  467.442 58461.45  743.003 58722.79  601.363  449.898   2.8595  450.918   2.3092 -1.019928 3.675457 
1 1 1    6   21   -3 o  132.546   1.6043  5073.60  122.813   0.0000   0.0000  5073.60  122.813  ?   ?   132.546   1.6043      ?      ? 
1 1 1    6   22   -3 o  468.608   2.9790 63448.25  806.227 62972.46  1138.88 63926.21  1141.48  466.846   4.2239  470.370   4.2019 -3.523438 5.957976 
1 1 1    6   23   -3 o  353.581   2.2865 36109.17  466.914   0.0000   0.0000 36109.17  466.914  ?   ?   353.581   2.2865      ?      ? 
1 1 1    6   24   -3 o  351.729   2.5246 35735.29  512.855   0.0000   0.0000 35735.29  512.855  ?   ?   351.729   2.5246      ?      ? 
1 1 1    6   25   -3 o  329.003   2.1554 31281.97  409.439 31800.81  575.409 30749.84  582.728  331.770   3.0030  326.237   3.0928 5.533142 4.310823 
1 1 1    6   26   -3 o  229.292   1.8031 15185.25  238.780   0.0000   0.0000 15185.25  238.780  ?   ?   229.292   1.8031      ?      ? 
1 1 1    6   27   -3 o  414.891   2.2475 50005.62  512.673 48890.27  865.351 50608.82  636.379  411.258   3.6433  418.524   2.6328 -7.266754 4.494984 
1 1 1    6   28   -3 o  184.388   1.9866  9823.88  210.575  9813.79  284.372  9836.12  313.326  184.289   2.6718  184.486   2.9407 -0.1969147 3.973162 
1 1 1    6   29   -3 o   96.596   1.9098  2705.43  103.693  2657.55  166.309  2735.88  132.630   95.886   3.0032   97.306   2.3600 -1.420715 3.819504 
1 1 1    6   30   -3 o  240.916   1.5654 16765.70  217.805   0.0000   0.0000 16765.70  217.805  ?   ?   240.916   1.5654      ?      ? 
1 1 1    6   31   -3 o  104.457   2.6724  3154.20  161.224   0.0000   0.0000  3154.20  161.224  ?   ?   104.457   2.6724      ?      ? 
1 1 1    6   32   -3 o   41.059   4.4629  463.840  102.249  595.803  174.395  394.715  126.219   45.255   6.6724   36.863   5.9285 8.391640 8.925715 
1 1 1    6   33   -3 o  195.303   1.7569 11050.48  197.710 10568.36  285.361 11495.56  274.182  191.188   2.5843  199.417   2.3806 -8.228958 3.513712 
1 1 1    6   34   -3 o   90.048   2.4479  2351.08  126.173  2315.26  190.855  2378.89  168.162   89.423   3.6955   90.673   3.2112 -1.249619 4.895713 
1 1 1    6   35   -3 o  129.174   1.8819  4765.91  138.678  5192.00  217.019  4471.84  180.290  133.984   2.8045  124.364   2.5101 9.619583 3.763780 
1 1 1    6   36   -3 o   47.910   5.8471  667.548  161.789  667.548  161.789   0.0000   0.0000   47.910   5.8471  ?   ?       ?      ? 
1 1 1    6   37   -3 o   44.824   6.3217  585.434  163.656  585.434  163.656   0.0000   0.0000   44.824   6.3217  ?   ?       ?      ? 
1 1 1    6   38   -3 o   69.567   4.7791  1411.93  190.809  1398.75  255.396  1428.58  287.060   69.243   6.3864   69.892   7.1115 -0.6492081 9.558228 
1 1 1    6   39   -3 o  152.416   2.6058  6721.50  229.383   0.0000   0.0000  6721.50  229.383  ?   ?   152.416   2.6058      ?      ? 
1 1 1    6   40   -3 o   58.951   5.7192  1014.72  194.723   0.0000   0.0000  1014.72  194.723  ?   ?    58.951   5.7192      ?      ? 
1 1 1    6   41   -3 o   61.192   5.4143  1094.30  191.349   0.0000   0.0000  1094.30  191.349  ?   ?    61.192   5.4143      ?      ? 
1 1 1    6   42   -3 o   27.531   7.6072  132.612  179.162   26.032  243.545  258.317  264.496   23.873   10.139   31.188   11.344 -7.314459 15.21437 
1 1 1    6   43   -3 o   59.607   4.8915  1033.87  166.488  879.839  217.499  1251.84  258.733   54.363   6.9273   64.851   6.9080 -10.48740 9.783034 
1 1 1    6   44   -3 f   36.263   9.1026  420.398  190.351   0.0000   0.0000  420.398  190.351  ?   ?    36.263   9.1026      ?      ? 
1 1 1    6   45   -3 o   57.069   5.4202  969.688  178.647   0.0000   0.0000  969.688  178.647  ?   ?    57.069   5.4202      ?      ? 
1 1 1    6   46   -3 o   48.773   5.5897  716.000  157.454   0.0000   0.0000  716.000  157.454  ?   ?    48.773   5.5897      ?      ? 
1 1 1    6   47   -3 o   44.948   6.4297  623.433  166.911   0.0000   0.0000  623.433  166.911  ?   ?    44.948   6.4297      ?      ? 
1 1 1    6   48   -3 o   34.448   8.0450  397.696  157.158   0.0000   0.0000  397.696  157.158  ?   ?    34.448   8.0450      ?      ? 
1 1 1    6   49   -3 o   54.163   5.3603  899.091  167.678   0.0000   0.0000  899.091  167.678  ?   ?    54.163   5.3603      ?      ? 
1 1 1    6   50   -3 o   62.505   5.2113  1202.17  188.124   0.0000   0.0000  1202.17  188.124  ?   ?    62.505   5.2113      ?      ? 
1 1 1    6   51   -3 o   38.232   8.8210  527.794  190.808   0.0000   0.0000  527.794  190.808  ?   ?    38.232   8.8210      ?      ? 
1 1 1    6    0   -4 o  574.579   3.0405 95475.64  949.945 95082.41  1647.68 95671.42  1162.62  573.649   4.9741  575.508   3.4982 -0.000000 0.000000 
1 1 1    6    1   -4 o  105.817   1.0060  3230.81   60.890  3254.08   92.935  3213.30   80.600  106.151   1.5159  105.484   1.3230 0.6664124 2.012034 
1 1 1    6    2   -4 o  397.687   1.5873 45680.50  357.338 45693.41  461.688 45661.21  564.329  397.763   2.0097  397.611   2.4575 0.1514587 3.174617 
1 1 1    6    3   -4 o  225.914   1.3197 14678.66  150.056 14863.71  298.200 14615.92  173.642  226.858   2.2760  224.970   1.3364 1.888306 2.639336 
1 1 1    6    4   -4 o  479.434   1.9257 66351.72  522.443 66580.09  826.728 66199.88  674.106  480.111   2.9815  478.757   2.4380 1.353485 3.851371 
1 1 1    6    5   -4 o  160.725   0.8588  7459.07   79.705  7516.17  113.744  7403.98  111.723  161.329   1.2208  160.120   1.2081 1.208527 1.717504 
1 1 1    6    6   -4 o  601.980   2.3192 104790.30  790.376 104081.70  1245.89 105267.60  1022.46  600.258   3.5938  603.701   2.9325 -3.443115 4.638442 
1 1 1    6    7   -4 o  189.437   1.0761 10366.85  117.684 10231.16  168.248 10496.83  164.671  188.223   1.5477  190.651   1.4955 -2.428482 2.152211 
1 1 1    6    8   -4 o  327.551   1.4683 30983.76  277.774   0.0000   0.0000 30983.76  277.774  ?   ?   327.551   1.4683      ?      ? 
1 1 1    6    9   -4 o  258.817   0.9867 19387.09  145.870 19049.30  222.398 19642.13  193.244  256.833   1.4993  260.801   1.2830 -3.967468 1.973303 
1 1 1    6   10   -4 o  299.017   1.7624 25706.29  287.052 25476.43  350.914 26171.17  499.046  297.012   2.0457  301.023   2.8705 -4.010803 3.524853 
1 1 1    6   11   -4 o  580.902   1.8940 97536.53  629.350 98035.89  835.383 96881.14  957.042  582.628   2.4826  579.176   2.8611 3.451782 3.788049 
1 1 1    6   12   -4 o  826.889   3.1555 197314.70  1479.18 196488.20  1914.75 198537.91  2329.45  824.769   4.0197  829.008   4.8653 -4.239197 6.311032 
1 1 1    6   13   -4 o  457.906   1.8182 60562.01  469.252 60526.35  750.438 60584.91  601.311  457.790   2.8383  458.022   2.2731 -0.2319946 3.636385 
1 1 1    6   14   -4 o  649.853   2.6670 121980.00  1000.93 122176.70  1410.58 121780.40  1420.52  650.381   3.7553  649.325   3.7879 1.056824 5.333905 
1 1 1    6   15   -4 o  452.958   1.6217 59258.04  424.200 59911.02  598.236 58597.71  601.596  455.468   2.2742  450.447   2.3125 5.020447 3.243380 
1 1 1    6   16   -4 o  707.386   2.8086 144497.41  1122.38 144734.59  1784.13 144342.09  1443.88  707.846   4.3642  706.925   3.5365 0.9215088 5.617184 
1 1 1    6   17   -4 o  451.829   1.9737 58969.60  514.959 59547.90  723.807 58376.85  732.801  454.073   2.7600  449.585   2.8222 4.488403 3.947475 
1 1 1    6   18   -4 o  381.992   2.3407 42143.89  516.393 42463.48  733.727 41830.22  726.901  383.427   3.3133  380.557   3.3073 2.869629 4.681486 
1 1 1    6   19   -4 o  370.091   1.5482 39516.35  324.521 39761.12  512.466 39352.49  419.309  371.043   2.3914  369.139   1.9668 1.903961 3.096314 
1 1 1    6   20   -4 o  723.763   2.7742 151226.20  1137.91 151847.59  1792.78 150807.00  1472.55  724.981   4.2817  722.546   3.5287 2.435120 5.548419 
1 1 1    6   21   -4 o  134.231   1.8429  5264.83  123.724  5082.60  245.246  5327.04  143.295  132.648   3.2012  135.814   1.8268 -3.165756 3.685800 
1 1 1    6   22   -4 o  152.982   2.0304  6761.09  179.061  6775.43  246.007  6744.94  261.131  153.156   2.7812  152.809   2.9589 0.3476105 4.060758 
1 1 1    6   23   -4 o  396.617   2.6021 45437.45  596.036   0.0000   0.0000 45437.45  596.036  ?   ?   396.617   2.6021      ?      ? 
1 1 1    6   24   -4 o  158.490   1.6476  7205.95  144.482  7426.74  243.678  7086.25  179.423  160.343   2.6314  156.636   1.9834 3.707809 3.295112 
1 1 1    6   25   -4 o  255.058   1.8384 18863.10  247.172 18965.60  294.938 18621.28  453.032  256.246   1.9929  253.870   3.0898 2.376190 3.676767 
1 1 1    6   26   -4 o  468.972   2.9308 63547.42  793.810   0.0000   0.0000 63547.42  793.810  ?   ?   468.972   2.9308      ?      ? 
1 1 1    6   27   -4 o  198.561   1.9183 11392.50  217.086 11395.39  284.845 11388.49  335.300  198.601   2.4834  198.522   2.9244 0.7885742E-01 3.836588 
1 1 1    6   28   -4 o   78.587   1.7115  1768.56   75.725  1853.92  122.814  1716.21   96.183   80.098   2.6549   77.075   2.1607 3.023567 3.423016 
1 1 1    6   29   -4 o  222.768   1.8751 14336.01  241.244   0.0000   0.0000 14336.01  241.244  ?   ?   222.768   1.8751      ?      ? 
1 1 1    6   30   -4 o  315.075   2.1347 28700.41  388.436 28803.20  551.422 28599.17  547.266  315.634   3.0249  314.516   3.0128 1.118347 4.269328 
1 1 1    6   31   -4 o  276.995   1.9231 22168.79  307.650   0.0000   0.0000 22168.79  307.650  ?   ?   276.995   1.9231      ?      ? 
1 1 1    6   32   -4 o  188.673   1.4818 10306.35  152.758 10228.05  262.237 10346.56  187.936  188.106   2.4138  189.239   1.7195 -1.132843 2.963679 
1 1 1    6   33   -4 o   97.391   2.2545  2745.97  126.151  2726.33  187.906  2762.09  170.214   97.064   3.3519   97.718   3.0160 -0.6539001 4.509071 
1 1 1    6   34   -4 o  209.260   1.7569 12655.47  212.247 12497.11  295.298 12824.71  305.276  207.909   2.4592  210.611   2.5097 -2.702271 3.513780 
1 1 1    6   35   -4 o   80.923   2.7638  1938.56  126.139  1643.52  190.726  2167.95  168.171   75.297   4.3858   86.548   3.3644 -11.25091 5.527581 
1 1 1    6   36   -4 o  187.787   2.2093 10193.74  239.605   0.0000   0.0000 10193.74  239.605  ?   ?   187.787   2.2093      ?      ? 
1 1 1    6   37   -4 o  201.547   1.6875 11737.88  196.432   0.0000   0.0000 11737.88  196.432  ?   ?   201.547   1.6875      ?      ? 
1 1 1    6   38   -4 o  154.865   2.6371  6938.02  235.863   0.0000   0.0000  6938.02  235.863  ?   ?   154.865   2.6371      ?      ? 
1 1 1    6   39   -4 o  175.880   2.3556  8947.50  239.276   0.0000   0.0000  8947.50  239.276  ?   ?   175.880   2.3556      ?      ? 
1 1 1    6   40   -4 o   13.538   6.7032 -447.2389  195.552   0.0000   0.0000 -447.2389  195.552  ?   ?    13.538   6.7032      ?      ? 
1 1 1    6   41   -4 o   13.399   6.6351 -437.7620  191.863   0.0000   0.0000 -437.7620  191.863  ?   ?    13.399   6.6351      ?      ? 
1 1 1    6   42   -4 o   57.789   5.7399  981.121  191.575   0.0000   0.0000  981.121  191.575  ?   ?    57.789   5.7399      ?      ? 
1 1 1    6   43   -4 o   70.101   4.6937  1439.89  190.031   0.0000   0.0000  1439.89  190.031  ?   ?    70.101   4.6937      ?      ? 
1 1 1    6   44   -4 o  105.458   3.1895  3239.23  194.263   0.0000   0.0000  3239.23  194.263  ?   ?   105.458   3.1895      ?      ? 
1 1 1    6   45   -4 o   25.781   9.3813  186.164  180.931   0.0000   0.0000  186.164  180.931  ?   ?    25.781   9.3813      ?      ? 
1 1 1    6   46   -4 f   33.072   7.5798  358.010  167.319  261.355  223.617  480.955  252.202   28.980   10.447   37.163   10.985 -8.182978 15.15970 
1 1 1    6   47   -4 o   35.046   7.5997  436.646  167.549  433.066  221.822  441.400  255.668   35.069   10.284   35.022   11.192 0.4702377E-01 15.19935 
1 1 1    6   48   -4 f   49.285   5.8274  747.956  165.872   0.0000   0.0000  747.956  165.872  ?   ?    49.285   5.8274      ?      ? 
1 1 1    6   49   -4 o   47.359   6.2750  710.537  163.758  483.262  205.236  1108.75  271.668   36.746   9.5743   57.972   8.1140 -21.22586 12.55007 
1 1 1    6   50   -4 o   16.533   7.5934 -66.9714  165.536   0.0000   0.0000 -66.9714  165.536  ?   ?    16.533   7.5934      ?      ? 
1 1 1    6   51   -4 o   51.028   6.1545  833.647  181.379   0.0000   0.0000  833.647  181.379  ?   ?    51.028   6.1545      ?      ? 
1 1 1    6    0   -5 o   78.625   1.9430  1788.50   88.110   0.0000   0.0000  1788.50   88.110   78.625   1.9430   78.625   1.9430 -0.000000 0.000000 
1 1 1    6    1   -5 o  506.557   2.2762 74118.80  665.906 74263.03  945.450 73976.81  938.060  507.045   3.2285  506.068   3.2095 0.9772644 4.552401 
1 1 1    6    2   -5 o  291.994   1.6874 24599.92  268.679 24549.90  329.376 24699.40  464.484  291.558   1.9561  292.430   2.7502 -0.8716736 3.374869 
1 1 1    6    3   -5 o  152.435   1.2181  6746.99   93.067  6784.33  107.728  6637.13  184.783  153.273   1.2170  151.596   2.1105 1.677826 2.436242 
1 1 1    6    4   -5 f  156.784   1.3315  7132.28  111.660  7188.08  134.829  7010.46  199.216  157.767   1.4797  155.800   2.2140 1.966843 2.662937 
1 1 1    6    5   -5 o  584.172   2.0253 98550.41  683.227 99528.94  975.057 97606.53  957.635  587.019   2.8760  581.324   2.8523 5.695740 4.050579 
1 1 1    6    6   -5 o  103.129   1.4519  3068.99   78.432  3077.73  145.902  3065.44   93.015  103.230   2.4472  103.028   1.5632 0.2019806 2.903844 
1 1 1    6    7   -5 o  109.382   0.9872  3449.00   58.508  3437.48   71.253  3472.82  102.510  109.103   1.1308  109.661   1.6186 -0.5576553 1.974450 
1 1 1    6    8   -5 o  375.934   1.6836 40818.36  365.487 40676.18  521.022 40956.11  512.829  375.289   2.4038  376.579   2.3579 -1.290009 3.367231 
1 1 1    6    9   -5 o  436.010   2.2504 54527.36  495.737 54127.95  574.388 55693.61  981.494  432.923   2.2973  439.098   3.8703 -6.174988 4.500705 
1 1 1    6   10   -5 f  625.141   2.1382 112871.60  771.966 113118.80  1090.46 112623.40  1093.00  625.827   3.0170  624.454   3.0306 1.372375 4.276301 
1 1 1    6   11   -5 o  1048.25   3.3694 317247.59  2016.44 318631.81  3098.54 316230.69  2655.75  1050.20   5.1086  1046.30   4.3949 3.905029 6.738896 
1 1 1    6   12   -5 f  391.957   1.3347 44384.83  299.286 44499.30  397.176 44234.43  455.254  392.544   1.7519  391.371   2.0141 1.173126 2.669407 
1 1 1    6   13   -5 o  355.200   1.9129 36133.33  340.185 37048.70  683.521 35831.93  392.212  358.155   3.3044  352.245   1.9279 5.910461 3.825713 
1 1 1    6   14   -5 o  816.614   2.6229 192736.30  1225.55 191692.80  1862.04 193533.80  1627.84  814.650   3.9576  818.578   3.4432 -3.927429 5.245810 
1 1 1    6   15   -5 o  731.184   3.1019 154429.80  1309.59 154208.50  1831.88 154661.20  1872.90  730.650   4.3411  731.717   4.4318 -1.067078 6.203761 
1 1 1    6   16   -5 o  564.326   2.8474 92131.02  805.998 91703.90  1603.17 92275.52  932.405  563.411   4.9268  565.243   2.8562 -1.832092 5.694860 
1 1 1    6   17   -5 o  472.899   1.9115 64696.50  508.442 65070.98  650.117 64106.69  815.882  474.671   2.3714  471.126   2.9985 3.545166 3.822929 
1 1 1    6   18   -5 o  558.576   2.1970 90322.34  695.040 89057.79  1092.15 91183.07  901.057  555.272   3.4056  561.881   2.7767 -6.609253 4.394059 
1 1 1    6   19   -5 o  547.938   2.7318 86488.45  753.704 87223.38  1495.35 86238.15  872.660  549.448   4.7123  546.429   2.7652 3.019165 5.463687 
1 1 1    6   20   -5 o  363.496   2.0890 38288.66  413.578 37788.34  713.573 38541.75  507.514  361.688   3.4160  365.305   2.4055 -3.616058 4.177989 
1 1 1    6   21   -5 o  692.833   3.3649 138967.00  1173.22 138187.00  2321.20 139234.59  1359.68  691.408   5.8129  694.257   3.3910 -2.849487 6.729702 
1 1 1    6   22   -5 o  292.383   2.1249 24690.38  358.818   0.0000   0.0000 24690.38  358.818  ?   ?   292.383   2.1249      ?      ? 
1 1 1    6   23   -5 o  182.087   1.5352  9474.85  146.308  9815.82  274.692  9339.81  172.869  184.342   2.5801  179.832   1.6644 4.510788 3.070375 
1 1 1    6   24   -5 o   75.215   2.2820  1633.61   99.087  1663.47  142.735  1605.84  137.664   75.878   3.2571   74.553   3.1972 1.325272 4.564072 
1 1 1    6   25   -5 o  343.084   1.9126 33997.77  378.976   0.0000   0.0000 33997.77  378.976  ?   ?   343.084   1.9126      ?      ? 
1 1 1    6   26   -5 o  208.469   1.7694 12548.52  212.973 12189.34  297.381 12926.72  305.149  205.408   2.5067  211.530   2.4978 -6.122040 3.538746 
1 1 1    6   27   -5 o  204.428   1.7685 12074.17  208.798 11942.69  294.787 12206.55  295.786  203.311   2.5105  205.545   2.4916 -2.234467 3.537087 
1 1 1    6   28   -5 o  198.768   1.8131 11415.95  208.126 11223.65  293.372 11610.79  295.307  197.082   2.5774  200.454   2.5508 -3.371490 3.626243 
1 1 1    6   29   -5 o  212.794   1.8652 13086.76  229.221 12941.56  323.962 13232.33  324.374  211.611   2.6508  213.977   2.6248 -2.365768 3.730418 
1 1 1    6   30   -5 o  228.711   1.7704 15121.50  233.750 14590.71  330.179 15654.82  330.966  224.683   2.5445  232.738   2.4622 -8.055481 3.540744 
1 1 1    6   31   -5 o  177.029   1.5173  9042.15  144.210  9094.93  257.011  9017.89  174.221  177.382   2.5087  176.675   1.7074 0.7063599 3.034649 
1 1 1    6   32   -5 o   21.719   5.1946  117.477   79.833  184.863  118.783   61.963  107.813   25.082   7.5678   18.356   7.1179 6.726143 10.38922 
1 1 1    6   33   -5 o  131.786   2.0502  5019.23  156.046  5019.23  156.046   0.0000   0.0000  131.786   2.0502  ?   ?       ?      ? 
1 1 1    6   34   -5 o  100.965   2.1558  2952.06  120.934  2938.13  200.320  2960.04  151.697  100.753   3.4426  101.178   2.5960 -0.4254074 4.311677 
1 1 1    6   35   -5 o  280.330   1.7869 22707.77  289.306   0.0000   0.0000 22707.77  289.306  ?   ?   280.330   1.7869      ?      ? 
1 1 1    6   36   -5 o  180.070   1.5184  9370.38  144.730  9378.72  264.265  9366.80  172.978  180.092   2.5407  180.049   1.6635 0.4362488E-01 3.036851 
1 1 1    6   37   -5 o  131.247   2.6103  5001.58  186.313  5024.23  228.202  4956.28  322.658  131.765   2.9987  130.730   4.2735 1.035629 5.220631 
1 1 1    6   38   -5 o   58.525   3.3336  982.084  103.845  1027.90  189.690  962.478  124.092   59.423   5.5272   57.627   3.7285 1.796432 6.667213 
1 1 1    6   39   -5 o   85.347   3.3356  2010.17  145.729  1895.84  168.312  2352.52  291.259   80.866   3.6038   89.828   5.6141 -8.962372 6.671271 
1 1 1    6   40   -5 o  129.991   2.8108  4893.49  211.019   0.0000   0.0000  4893.49  211.019  ?   ?   129.991   2.8108      ?      ? 
1 1 1    6   41   -5 o  108.668   3.1950  3442.68  198.475  3455.48  262.933  3425.73  302.603  108.973   4.1777  108.363   4.8351 0.6099777 6.389974 
1 1 1    6   42   -5 o   71.827   3.0398  1462.55  118.703  1630.06  211.163  1385.17  143.527   74.642   4.8984   69.013   3.6009 5.628372 6.079526 
1 1 1    6   43   -5 o   81.132   3.9525  1921.46  185.203   0.0000   0.0000  1921.46  185.203  ?   ?    81.132   3.9525      ?      ? 
1 1 1    6   44   -5 o   72.721   4.3248  1552.46  181.637   0.0000   0.0000  1552.46  181.637  ?   ?    72.721   4.3248      ?      ? 
1 1 1    6   45   -5 o   99.084   3.2715  2869.71  187.214   0.0000   0.0000  2869.71  187.214  ?   ?    99.084   3.2715      ?      ? 
1 1 1    6   46   -5 o   62.261   5.2945  1164.76  190.382   0.0000   0.0000  1164.76  190.382  ?   ?    62.261   5.2945      ?      ? 
1 1 1    6   47   -5 o   24.429   6.6817  151.135  130.903  224.952  214.023  107.015  165.461   27.071   10.140   21.787   8.7042 5.284319 13.36345 
1 1 1    6   48   -5 o   75.805   3.6734  1749.80  160.079  1959.99  228.693  1547.88  224.148   80.471   4.9207   71.139   5.4556 9.332054 7.346850 
1 1 1    6   49   -5 f   76.154   3.8154  1813.03  163.049  1363.05  232.535  2248.23  228.685   66.052   6.0956   86.255   4.5906 -20.20287 7.630824 
1 1 1    6   50   -5 o   21.869   8.8352  121.808  172.566   0.0000   0.0000  121.808  172.566  ?   ?    21.869   8.8352      ?      ? 
1 1 1    6   51   -5 o   37.178   7.4381  473.996  154.134  473.996  154.134   0.0000   0.0000   37.178   7.4381  ?   ?       ?      ? 
1 1 1    6    0   -6 o  213.065   1.7106 13118.82  210.328 13232.28  293.499 12999.04  301.563  214.015   2.3752  212.116   2.4624 -0.000000 0.000000 
1 1 1    6    1   -6 o  375.697   1.9490 40746.59  368.637 40810.73  730.296 40724.66  427.034  375.878   3.3641  375.517   1.9690 0.3606567 3.897960 
1 1 1    6    2   -6 o  265.790   1.2712 20403.69  195.118 20558.78  274.559 20245.44  277.341  266.811   1.7817  264.770   1.8137 2.041473 2.542451 
1 1 1    6    3   -6 o  541.789   2.2344 84783.93  699.153 85167.74  991.257 84403.98  986.265  543.009   3.1608  540.569   3.1591 2.440186 4.468799 
1 1 1    6    4   -6 f  392.132   2.1750 44472.95  459.497 44249.47  811.413 44578.45  557.504  391.390   3.5896  392.874   2.4570 -1.484497 4.349974 
1 1 1    6    5   -6 o  337.003   1.3807 32731.36  264.009 33157.80  415.264 32442.06  342.032  338.839   2.1220  335.167   1.7669 3.671753 2.761331 
1 1 1    6    6   -6 o  294.368   1.6601 25025.92  266.974 25025.41  459.319 25026.19  328.086  294.360   2.7018  294.376   1.9297 -0.1608276E-01 3.320178 
1 1 1    6    7   -6 o  376.994   1.9609 40954.68  371.246 41237.26  739.239 40859.37  429.310  377.847   3.3875  376.141   1.9762 1.705811 3.921842 
1 1 1    6    8   -6 o  144.703   1.3538  6049.17  109.744  6038.19  178.318  6055.86  139.236  144.596   2.1353  144.810   1.6648 -0.2139282 2.707585 
1 1 1    6    9   -6 o  821.437   3.0830 194578.80  1434.67 196650.80  2266.52 193193.70  1853.18  825.053   4.7566  817.822   3.9235 7.231079 6.165931 
1 1 1    6   10   -6 o  754.263   2.9202 164564.50  1243.85 165446.80  1601.64 163223.50  1974.45  756.837   3.6642  751.688   4.5480 5.148438 5.840432 
1 1 1    6   11   -6 o  660.919   2.1604 126169.30  817.779 126077.50  1238.93 126240.20  1088.62  660.700   3.2468  661.139   2.8510 -0.4389648 4.320889 
1 1 1    6   12   -6 o  419.137   1.6553 50779.84  391.794 50951.86  504.230 50517.76  622.408  420.037   2.0785  418.236   2.5767 1.800812 3.310558 
1 1 1    6   13   -6 o  569.178   1.9714 93564.95  647.991 93715.80  910.910 93410.43  921.985  569.643   2.7688  568.713   2.8070 0.9297485 3.942776 
1 1 1    6   14   -6 o  179.811   1.2908  9336.87  134.046  9336.87  134.046   0.0000   0.0000  179.811   1.2908  ?   ?       ?      ? 
1 1 1    6   15   -6 o  536.875   1.9090 83234.40  591.861 82619.80  829.685 83871.22  844.549  534.857   2.6859  538.892   2.7136 -4.034668 3.818038 
1 1 1    6   16   -6 o  471.208   1.9158 64113.58  507.308 64070.18  646.629 64183.04  818.139  471.008   2.3771  471.408   3.0050 -0.4002075 3.831515 
1 1 1    6   17   -6 o  142.937   1.6975  5900.19  133.394  5901.91  226.527  5899.27  165.044  142.951   2.7438  142.924   1.9994 0.2691650E-01 3.395012 
1 1 1    6   18   -6 o  336.761   2.1870 32749.68  425.263 32471.18  594.202 33042.11  608.894  335.294   3.0685  338.228   3.1171 -2.933716 4.373974 
1 1 1    6   19   -6 o  670.304   3.2759 129781.80  1268.20   0.0000   0.0000 129781.80  1268.20  ?   ?   670.304   3.2759      ?      ? 
1 1 1    6   20   -6 o  456.783   2.4795 60169.51  620.798 60601.78  1062.69 59945.57  764.881  458.001   4.0175  455.564   2.9071 2.437347 4.958969 
1 1 1    6   21   -6 o  515.712   3.2930 76828.51  980.820   0.0000   0.0000 76828.51  980.820  ?   ?   515.712   3.2930      ?      ? 
1 1 1    6   22   -6 o  469.849   2.8966 63769.12  786.016   0.0000   0.0000 63769.12  786.016  ?   ?   469.849   2.8966      ?      ? 
1 1 1    6   23   -6 o  225.334   1.6489 14661.62  203.085 14679.79  349.149 14652.34  249.664  225.430   2.6817  225.237   1.9192 0.1932068 3.297745 
1 1 1    6   24   -6 o  455.876   2.4388 60004.31  604.026 60189.86  1051.63 59912.96  737.880  456.353   3.9900  455.399   2.8055 0.9540710 4.877618 
1 1 1    6   25   -6 o  187.754   1.6013 10186.40  166.107 10171.15  278.930 10194.78  206.769  187.636   2.5739  187.872   1.9056 -0.2354889 3.202566 
1 1 1    6   26   -6 o  214.142   1.8428 13245.47  227.916 13245.47  227.916   0.0000   0.0000  214.142   1.8428  ?   ?       ?      ? 
1 1 1    6   27   -6 o  140.834   1.8466  5742.08  149.883  5507.88  216.257  5958.57  207.921  138.062   2.7121  143.606   2.5069 -5.544266 3.693275 
1 1 1    6   28   -6 o  119.347   1.4123  4115.54   97.102  4105.65  142.381  4124.14  132.768  119.211   2.0680  119.483   1.9240 -0.2716522 2.824605 
1 1 1    6   29   -6 o  120.451   1.7502  4172.06  112.153  4246.02  203.804  4139.94  134.320  121.196   2.9116  119.707   1.9428 1.489197 3.500333 
1 1 1    6   30   -6 o  164.613   1.8915  7828.97  179.830  7828.97  179.830   0.0000   0.0000  164.613   1.8915  ?   ?       ?      ? 
1 1 1    6   31   -6 f  146.413   1.6770  6198.04  134.914  6189.40  229.244  6202.62  166.873  146.315   2.7128  146.512   1.9721 -0.1972809 3.353904 
1 1 1    6   32   -6 o  135.041   1.6882  5209.88  116.021  5401.80  227.947  5142.78  134.787  136.668   2.8879  133.414   1.7493 3.254074 3.376370 
1 1 1    6   33   -6 o  175.071   1.6602  8834.50  158.716  8938.59  274.080  8781.98  194.680  175.815   2.6992  174.327   1.9336 1.488174 3.320331 
1 1 1    6   34   -6 f   85.647   2.5197  2129.48  117.989  2104.93  202.032  2142.19  145.352   85.236   4.1040   86.057   2.9245 -0.8210526 5.039416 
1 1 1    6   35   -6 o  124.250   1.9224  4444.90  136.000  4580.83  212.288  4350.27  177.119  125.840   2.9209  122.660   2.5002 3.179337 3.844856 
1 1 1    6   36   -6 o  162.233   1.6463  7614.12  152.805  7573.99  232.272  7644.74  202.894  161.842   2.4850  162.623   2.1602 -0.7808380 3.292665 
1 1 1    6   37   -6 o  171.310   2.4588  8486.92  243.271   0.0000   0.0000  8486.92  243.271  ?   ?   171.310   2.4588      ?      ? 
1 1 1    6   38   -6 o  125.147   2.7636  4614.51  187.640  4764.93  231.055  4323.17  321.567  128.285   3.1186  122.010   4.5634 6.275291 5.527237 
1 1 1    6   39   -6 o   77.701   3.6779  1750.89  165.049   0.0000   0.0000  1750.89  165.049  ?   ?    77.701   3.6779      ?      ? 
1 1 1    6   40   -6 o   73.569   3.2336  1569.10  137.392   0.0000   0.0000  1569.10  137.392  ?   ?    73.569   3.2336      ?      ? 
1 1 1    6   41   -6 o   77.455   3.5872  1754.35  153.896  1757.85  192.334  1748.11  256.578   77.693   4.2864   77.218   5.7533 0.4751282 7.174479 
1 1 1    6   42   -6 o   81.244   4.4179  1927.59  207.298   0.0000   0.0000  1927.59  207.298  ?   ?    81.244   4.4179      ?      ? 
1 1 1    6   43   -6 o   54.826   4.6014  881.471  145.702   0.0000   0.0000  881.471  145.702  ?   ?    54.826   4.6014      ?      ? 
1 1 1    6   44   -6 o   99.495   3.3037  2887.79  189.840   0.0000   0.0000  2887.79  189.840  ?   ?    99.495   3.3037      ?      ? 
1 1 1    6   45   -6 o  112.776   3.1528  3716.63  205.351   0.0000   0.0000  3716.63  205.351  ?   ?   112.776   3.1528      ?      ? 
1 1 1    6   46   -6 o   95.921   3.5659  2707.84  197.543   0.0000   0.0000  2707.84  197.543  ?   ?    95.921   3.5659      ?      ? 
1 1 1    6   47   -6 o   39.059   7.1599  492.139  155.564   0.0000   0.0000  492.139  155.564  ?   ?    39.059   7.1599      ?      ? 
1 1 1    6   48   -6 o   43.657   6.4081  596.217  161.570   0.0000   0.0000  596.217  161.570  ?   ?    43.657   6.4081      ?      ? 
1 1 1    6   49   -6 o   42.564   7.0834  692.669  170.951  775.364  209.538  528.068  295.625   48.873   7.4236   36.256   12.066 12.61666 14.16677 
1 1 1    6   50   -6 o   32.139   6.5906  376.062  129.316  421.279  191.594  338.227  175.256   33.810   9.4469   30.468   9.1924 3.341948 13.18121 
1 1 1    6   51   -6 o   34.415   7.0953  466.965  153.618  357.249  216.128  578.989  218.388   29.962   10.314   38.869   9.7462 -8.907286 14.19061 
1 1 1    6    0   -7 o  211.020   1.6705 12861.64  203.560 12861.64  203.560   0.0000   0.0000  211.020   1.6705  211.020   1.6705 -0.000000 0.000000 
1 1 1    6    1   -7 f  114.281   1.4199  3774.62   84.809  3765.00  158.128  3778.50  100.484  114.176   2.3980  114.385   1.5210 -0.2090225 2.839703 
1 1 1    6    2   -7 o  117.559   0.9301  3987.13   63.021  4049.75   92.446  3932.77   86.138  118.421   1.3517  116.698   1.2780 1.722588 1.860227 
1 1 1    6    3   -7 o  198.669   1.3205 11468.67  121.371 11281.69  269.810 11516.10  135.897  197.643   2.3637  199.695   1.1783 -2.052155 2.641100 
1 1 1    6    4   -7 o  200.905   1.1612 11656.17  134.735 11682.01  191.263 11630.72  189.834  201.126   1.6466  200.684   1.6379 0.4418945 2.322442 
1 1 1    6    5   -7 o  598.860   2.5133 103597.90  869.216 104408.50  1224.90 102775.80  1233.67  601.221   3.5276  596.499   3.5810 4.721680 5.026673 
1 1 1    6    6   -7 o  149.837   1.1158  6482.94   96.500  6465.45  134.080  6501.73  138.997  149.628   1.5516  150.046   1.6040 -0.4189453 2.231598 
1 1 1    6    7   -7 o  322.891   1.6999 30073.52  274.011 30183.00  550.085 30037.38  316.006  323.272   2.9463  322.509   1.6966 0.7633667 3.399847 
1 1 1    6    8   -7 o  470.977   2.1626 64053.84  588.118 63544.16  821.646 64589.32  842.184  469.056   3.0330  472.897   3.0836 -3.840454 4.325234 
1 1 1    6    9   -7 o  658.099   2.6705 125235.20  988.969 125720.00  1264.86 124472.60  1586.34  659.758   3.3195  656.441   4.1842 3.316711 5.341055 
1 1 1    6   10   -7 o  568.263   2.0302 93272.57  666.222 93934.91  936.782 92594.75  947.672  570.305   2.8441  566.221   2.8979 4.084290 4.060407 
1 1 1    6   11   -7 o  551.536   2.3561 87853.46  750.390 87618.91  1051.83 88096.55  1070.85  550.787   3.3066  552.285   3.3572 -1.497681 4.712143 
1 1 1    6   12   -7 o  422.323   1.5105 51505.25  368.381 51338.47  516.200 51678.34  525.875  421.627   2.1198  423.020   2.1525 -1.392822 3.021068 
1 1 1    6   13   -7 o  513.783   1.9833 76179.13  575.132 75962.72  738.261 76513.18  917.307  512.862   2.4924  514.704   3.0858 -1.841187 3.966683 
1 1 1    6   14   -7 f  772.099   2.9422 172286.41  1280.10 172605.00  1640.37 171790.20  2047.16  773.037   3.6741  771.161   4.5964 1.875977 5.884425 
1 1 1    6   15   -7 o  288.226   2.0376 23992.31  339.158 23932.25  476.366 24054.05  482.985  287.861   2.8653  288.592   2.8978 -0.7311096 4.075187 
1 1 1    6   16   -7 o  258.401   1.3211 19281.47  196.829 19257.87  270.571 19308.00  286.857  258.234   1.8142  258.569   1.9209 -0.3348999 2.642189 
1 1 1    6   17   -7 o  702.213   2.6882 142111.00  1066.25 140890.91  1368.84 143993.50  1700.32  698.411   3.3936  706.015   4.1699 -7.604065 5.376315 
1 1 1    6   18   -7 f  418.210   2.2474 50639.49  512.945 50146.27  882.213 50891.38  630.466  416.651   3.6662  419.768   2.6006 -3.117157 4.494872 
1 1 1    6   19   -7 o  389.327   2.3096 43575.63  484.640 43211.19  586.653 44358.90  860.039  386.795   2.6261  391.859   3.8002 -5.063965 4.619287 
1 1 1    6   20   -7 o  552.939   2.2187 88341.37  699.028 88159.67  1080.10 88472.32  916.964  552.436   3.3853  553.442   2.8688 -1.005676 4.437338 
1 1 1    6   21   -7 o  471.743   2.5805 64542.70  677.483 63353.82  1113.92 65240.62  853.481  468.252   4.1190  475.234   3.1096 -6.982208 5.160959 
1 1 1    6   22   -7 o   77.742   2.9926  1745.94  134.366   0.0000   0.0000  1745.94  134.366  ?   ?    77.742   2.9926      ?      ? 
1 1 1    6   23   -7 o  189.975   1.9538 10423.84  214.371   0.0000   0.0000 10423.84  214.371  ?   ?   189.975   1.9538      ?      ? 
1 1 1    6   24   -7 o  469.300   2.9623 63688.91  802.379 62865.08  1151.20 64467.25  1118.96  466.337   4.2743  472.262   4.1025 -5.924469 5.924514 
1 1 1    6   25   -7 o  374.795   2.4606 40580.73  532.616 40580.73  532.616   0.0000   0.0000  374.795   2.4606  ?   ?       ?      ? 
1 1 1    6   26   -7 o  260.557   1.9795 19610.85  297.884 19610.85  297.884   0.0000   0.0000  260.557   1.9795  ?   ?       ?      ? 
1 1 1    6   27   -7 o  218.898   1.6066 13770.39  191.941 14066.75  332.629 13622.45  235.017  220.638   2.6103  217.159   1.8739 3.478577 3.213275 
1 1 1    6   28   -7 o   90.967   2.1502  2377.17  110.083  2327.76  140.009  2457.17  178.159   89.746   2.7012   92.187   3.3462 -2.441124 4.300392 
1 1 1    6   29   -7 o  135.878   1.5699  5333.28  123.202   0.0000   0.0000  5333.28  123.202  ?   ?   135.878   1.5699      ?      ? 
1 1 1    6   30   -7 o  179.425   1.6105  9300.12  166.886   0.0000   0.0000  9300.12  166.886  ?   ?   179.425   1.6105      ?      ? 
1 1 1    6   31   -7 o  173.649   1.6151  8737.52  145.766  8664.03  273.893  8766.56  172.173  173.104   2.7396  174.193   1.7114 -1.088333 3.230221 
1 1 1    6   32   -7 o  276.148   1.7146 22021.16  241.161 22094.94  469.409 21994.70  281.094  276.392   2.9406  275.904   1.7640 0.4878845 3.429166 
1 1 1    6   33   -7 o  102.196   2.0856  3024.13  116.903  3010.92  199.242  3031.07  144.365  101.998   3.3822  102.393   2.4412 -0.3947220 4.171211 
1 1 1    6   34   -7 o  203.268   1.5799 11839.46  157.100 12138.93  326.562 11749.28  179.198  204.873   2.7599  201.663   1.5386 3.210220 3.159800 
1 1 1    6   35   -7 o  171.883   1.4156  8537.04  121.200  8541.43  243.889  8535.60  139.666  171.876   2.4569  171.890   1.4069 -0.1367188E-01 2.831213 
1 1 1    6   36   -7 o  176.703   2.0692  9030.82  209.935  9005.28  281.900  9062.62  314.565  176.441   2.7664  176.965   3.0778 -0.5247192 4.138301 
1 1 1    6   37   -7 o  149.625   1.9489  6471.02  168.415   0.0000   0.0000  6471.02  168.415  ?   ?   149.625   1.9489      ?      ? 
1 1 1    6   38   -7 f  103.492   2.3189  3061.97  127.684  3205.92  233.505  3000.57  152.504  105.145   3.8452  101.838   2.5929 3.307060 4.637759 
1 1 1    6   39   -7 o   89.042   3.3614  2298.08  172.859   0.0000   0.0000  2298.08  172.859  ?   ?    89.042   3.3614      ?      ? 
1 1 1    6   40   -7 o   57.002   4.7300  946.635  155.719   0.0000   0.0000  946.635  155.719  ?   ?    57.002   4.7300      ?      ? 
1 1 1    6   41   -7 o  169.051   2.1415  8271.12  209.089   0.0000   0.0000  8271.12  209.089  ?   ?   169.051   2.1415      ?      ? 
1 1 1    6   42   -7 o   42.419   5.2218  521.642  122.188  744.896  194.317  375.640  157.142   50.100   6.7157   34.738   7.9980 15.36226 10.44358 
1 1 1    6   43   -7 o   61.868   4.2567  1120.92  152.098   0.0000   0.0000  1120.92  152.098  ?   ?    61.868   4.2567      ?      ? 
1 1 1    6   44   -7 o   62.815   3.6055  1161.12  125.064  1195.69  211.378  1142.49  155.131   63.304   5.7816   62.327   4.3096 0.9770050 7.211046 
1 1 1    6   45   -7 o   54.611   6.1610  902.982  194.320   0.0000   0.0000  902.982  194.320  ?   ?    54.611   6.1610      ?      ? 
1 1 1    6   46   -7 f   67.024   3.5895  1323.62  138.948   0.0000   0.0000  1323.62  138.948  ?   ?    67.024   3.5895      ?      ? 
1 1 1    6   47   -7 o   54.440   5.6766  907.032  178.482   0.0000   0.0000  907.032  178.482  ?   ?    54.440   5.6766      ?      ? 
1 1 1    6   48   -7 o   16.567   7.6766 -97.8181  174.602   0.0000   0.0000 -97.8181  174.602  ?   ?    16.567   7.6766      ?      ? 
1 1 1    6   49   -7 o   45.547   6.1295  651.197  161.239   0.0000   0.0000  651.197  161.239  ?   ?    45.547   6.1295      ?      ? 
1 1 1    6   50   -7 o   47.754   5.7004  777.923  153.564  721.939  215.299  835.898  219.095   45.402   8.5237   50.105   7.5712 -4.703083 11.40070 
1 1 1    6   51   -7 o   41.487   7.5146  647.312  171.160  548.964  206.312  864.451  306.557   37.953   9.4489   45.021   11.687 -7.067932 15.02915 
1 1 1    6    0   -8 o   89.468   1.7363  2314.17   89.643  2314.17   89.643   0.0000   0.0000   89.468   1.7363   89.468   1.7363 -0.000000 0.000000 
1 1 1    6    1   -8 f  225.782   1.4279 14825.58  162.945 14937.62  189.533 14508.15  319.020  227.433   1.4429  224.131   2.4645 3.302567 2.855854 
1 1 1    6    2   -8 o  303.870   1.3450 26608.93  230.750 26397.41  296.029 26936.44  368.363  302.336   1.6953  305.403   2.0884 -3.066528 2.689924 
1 1 1    6    3   -8 o  308.050   1.7086 27359.01  240.713 27328.99  268.160 27483.59  546.184  307.627   1.5093  308.474   3.0657 -0.8469238 3.417140 
1 1 1    6    4   -8 o  207.110   1.1663 12387.39  139.502 12321.17  197.197 12453.73  197.375  206.555   1.6530  207.664   1.6457 -1.108231 2.332536 
1 1 1    6    5   -8 o  558.813   2.7610 90678.65  770.651 89248.30  1538.16 91158.03  890.478  555.815   4.7917  561.810   2.7444 -5.995178 5.521941 
1 1 1    6    6   -8 o  395.463   2.3924 45165.93  546.424   0.0000   0.0000 45165.93  546.424  ?   ?   395.463   2.3924      ?      ? 
1 1 1    6    7   -8 o  213.695   1.6318 13187.83  201.389 13231.44  285.933 13144.90  283.693  214.046   2.3130  213.344   2.3024 0.7009888 3.263584 
1 1 1    6    8   -8 o  349.591   1.6159 35301.29  326.153 35583.59  456.684 35007.41  465.956  351.018   2.2527  348.163   2.3173 2.854340 3.231769 
1 1 1    6    9   -8 o  369.201   1.2803 39297.15  269.842 38929.25  354.812 39801.87  415.582  367.156   1.6733  371.245   1.9383 -4.089355 2.560586 
1 1 1    6   10   -8 o  611.133   2.3342 107714.30  810.483 108730.50  1268.40 107013.10  1053.64  613.556   3.5794  608.709   2.9971 4.846375 4.668495 
1 1 1    6   11   -8 o  534.362   2.0963 82436.62  635.902 82638.85  996.226 82297.55  826.084  534.908   3.2247  533.816   2.6795 1.092102 4.192662 
1 1 1    6   12   -8 o  332.952   1.8730 32023.24  339.162 31994.74  588.727 32037.40  414.936  332.835   3.0627  333.069   2.1571 -0.2345276 3.746039 
1 1 1    6   13   -8 o  404.931   1.6402 47378.58  374.339 47466.82  479.884 47241.43  598.269  405.417   2.0495  404.446   2.5612 0.9715881 3.280311 
1 1 1    6   14   -8 o  1002.54   4.0687 290398.59  2355.74 289078.59  3314.35 291746.31  3348.97  1000.24   5.7373  1004.84   5.7707 -4.601257 8.137418 
1 1 1    6   15   -8 o  479.065   1.9663 66301.53  537.388 66170.07  826.809 66397.70  707.113  478.648   2.9909  479.482   2.5535 -0.8335571 3.932657 
1 1 1    6   16   -8 o  262.564   1.6325 19821.36  232.676 19652.86  283.507 20169.02  407.238  260.867   1.8817  264.261   2.6683 -3.393646 3.265064 
1 1 1    6   17   -8 o  398.283   2.1990 45746.46  478.471 46037.89  824.497 45598.48  587.522  399.224   3.5759  397.342   2.5602 1.881378 4.397929 
1 1 1    6   18   -8 o  591.326   3.6703 101008.70  1253.48   0.0000   0.0000 101008.70  1253.48  ?   ?   591.326   3.6703      ?      ? 
1 1 1    6   19   -8 o  191.554   1.8923 10595.30  208.510 10629.21  309.252 10567.03  282.337  191.833   2.7913  191.275   2.5558 0.5584564 3.784612 
1 1 1    6   20   -8 o  806.793   4.1931 187621.50  1848.27 189918.59  3188.83 186459.41  2268.11  810.350   6.8136  803.235   4.8892 7.114929 8.386214 
1 1 1    6   21   -8 o  443.850   2.7668 56910.93  708.616 57188.79  1025.06 56656.62  980.684  444.882   3.9895  442.818   3.8346 2.064453 5.533551 
1 1 1    6   22   -8 o  295.236   2.0821 25175.50  355.021   0.0000   0.0000 25175.50  355.021  ?   ?   295.236   2.0821      ?      ? 
1 1 1    6   23   -8 o  225.380   1.7892 14676.41  232.853 14448.44  330.782 14900.36  327.845  223.644   2.5609  227.117   2.4994 -3.472549 3.578457 
1 1 1    6   24   -8 o  166.898   2.0004  8049.93  192.767  7883.71  273.692  8213.55  271.547  165.187   2.8688  168.610   2.7885 -3.422577 4.000755 
1 1 1    6   25   -8 o  312.215   2.1949 28158.89  395.773 28158.89  395.773   0.0000   0.0000  312.215   2.1949  ?   ?       ?      ? 
1 1 1    6   26   -8 o  217.466   1.7926 13505.10  199.273 13326.78  232.064 14005.73  388.843  214.792   1.8707  220.140   3.0584 -5.347626 3.585126 
1 1 1    6   27   -8 o  205.202   1.6176 12221.91  179.873 12329.47  219.763 12003.60  313.078  206.595   1.8418  203.808   2.6598 2.786667 3.235240 
1 1 1    6   28   -8 o  167.316   1.6177  8097.13  142.553  8069.37  262.294  8108.77  169.824  167.090   2.7180  167.541   1.7551 -0.4503174 3.235412 
1 1 1    6   29   -8 f  204.694   1.7970 12114.23  212.363 11811.63  301.391 12412.58  299.274  202.152   2.5815  207.236   2.5004 -5.084610 3.593911 
1 1 1    6   30   -8 o  168.980   1.3858  8238.70  135.059  8037.29  185.331  8466.80  197.229  166.783   1.9240  171.177   1.9950 -4.394669 2.771614 
1 1 1    6   31   -8 o  289.476   1.4974 24217.12  250.344 24240.16  353.827 24194.03  354.254  289.614   2.1154  289.338   2.1199 0.2761841 2.994816 
1 1 1    6   32   -8 o  147.977   1.8393  6327.27  157.194   0.0000   0.0000  6327.27  157.194  ?   ?   147.977   1.8393      ?      ? 
1 1 1    6   33   -8 o  113.729   2.0583  3730.13  125.532  3771.04  224.449  3711.51  151.431  114.146   3.4046  113.311   2.3140 0.8356705 4.116559 
1 1 1    6   34   -8 o   81.138   2.6662  1954.81  111.443  1798.45  208.195  2017.61  131.935   78.752   4.5775   83.525   2.7350 -4.772781 5.332307 
1 1 1    6   35   -8 o  187.115   1.7835 10117.33  192.733   0.0000   0.0000 10117.33  192.733  ?   ?   187.115   1.7835      ?      ? 
1 1 1    6   36   -8 o  229.517   1.7035 15169.83  202.926 15375.21  384.235 15090.39  238.972  230.523   2.8860  228.511   1.8107 2.011566 3.407020 
1 1 1    6   37   -8 o  108.864   2.5417  3455.42  155.132  3341.53  249.397  3527.29  198.126  107.345   4.0227  110.382   3.1078 -3.036636 5.083407 
1 1 1    6   38   -8 o   83.262   3.2806  1995.96  142.453  2058.76  268.543  1971.37  168.045   84.053   5.5319   82.471   3.5281 1.581718 6.561220 
1 1 1    6   39   -8 o   64.765   4.0883  1218.34  152.921   0.0000   0.0000  1218.34  152.921  ?   ?    64.765   4.0883      ?      ? 
1 1 1    6   40   -8 o  121.890   2.5938  4305.71  181.659  4401.57  272.287  4228.83  243.865  123.079   3.8305  120.701   3.4983 2.377487 5.187563 
1 1 1    6   41   -8 o   59.639   4.5571  1073.77  149.650  961.052  244.768  1141.06  189.114   56.867   7.4526   62.411   5.2466 -5.544342 9.114181 
1 1 1    6   42   -8 o  130.650   2.1034  5078.33  134.252  4730.63  272.546  5189.73  154.265  127.417   3.7036  133.883   1.9951 -6.466309 4.206804 
1 1 1    6   43   -8 o   62.173   3.6581  1218.00  116.639  960.224  208.587  1335.28  140.691   56.712   6.3683   67.635   3.6017 -10.92236 7.316274 
1 1 1    6   44   -8 o   30.842   7.2744  300.861  127.472   0.0000   0.0000  300.861  127.472  ?   ?    30.842   7.2744      ?      ? 
1 1 1    6   45   -8 o   27.411   9.0707  238.513  167.154   0.0000   0.0000  238.513  167.154  ?   ?    27.411   9.0707      ?      ? 
1 1 1    6   46   -8 o   26.413   6.4014  200.936  112.412  308.085  197.736  149.772  136.639   30.168   9.8600   22.658   8.1667 7.510466 12.80286 
1 1 1    6   47   -8 o   36.873   8.0829  454.667  167.386   0.0000   0.0000  454.667  167.386  ?   ?    36.873   8.0829      ?      ? 
1 1 1    6   48   -8 o   59.688   4.8977  1081.23  168.834   0.0000   0.0000  1081.23  168.834  ?   ?    59.688   4.8977      ?      ? 
1 1 1    6   49   -8 o   51.235   5.9961  823.354  177.428   0.0000   0.0000  823.354  177.428  ?   ?    51.235   5.9961      ?      ? 
1 1 1    6   50   -8 o   25.676   9.2587  231.913  175.652   0.0000   0.0000  231.913  175.652  ?   ?    25.676   9.2587      ?      ? 
1 1 1    6    0   -9 o   64.999   2.1727  1224.15   81.356  1224.15   81.356   0.0000   0.0000   64.999   2.1727   64.999   2.1727 -0.000000 0.000000 
1 1 1    6    1   -9 f  151.885   1.6333  6654.48  142.720  6749.52  212.034  6575.75  192.983  152.875   2.4015  150.895   2.2144 1.979614 3.266626 
1 1 1    6    2   -9 o  106.228   1.1922  3253.22   72.048  3226.94   93.912  3290.82  112.326  105.708   1.5383  106.748   1.8219 -1.040245 2.384471 
1 1 1    6    3   -9 o  266.120   2.0091 20453.07  308.778 20518.85  439.083 20388.72  434.311  266.543   2.8523  265.697   2.8303 0.8462830 4.018214 
1 1 1    6    4   -9 o  333.464   1.6154 32119.64  311.057 32695.12  438.697 31537.80  441.116  336.469   2.2575  330.459   2.3113 6.009430 3.230854 
1 1 1    6    5   -9 o  375.282   1.9538 40549.24  398.990 41049.08  694.059 40302.52  487.615  376.996   3.1877  373.568   2.2601 3.428070 3.907583 
1 1 1    6    6   -9 o  799.889   3.0475 185052.59  1381.09 183609.91  2171.24 186033.09  1789.86  797.244   4.7155  802.535   3.8616 -5.291870 6.094948 
1 1 1    6    7   -9 o  853.865   3.2991 210559.70  1594.53 210883.70  2519.88 210343.20  2059.24  854.383   5.1067  853.347   4.1783 1.036438 6.598208 
1 1 1    6    8   -9 o  140.022   1.2077  5661.83   97.663   0.0000   0.0000  5661.83   97.663  ?   ?   140.022   1.2077      ?      ? 
1 1 1    6    9   -9 o  496.396   2.9532 71449.00  800.036 70336.09  1373.89 72019.98  984.098  493.437   4.8210  499.354   3.4123 -5.917358 5.906395 
1 1 1    6   10   -9 o  310.992   1.4718 27930.06  264.263 27905.62  368.787 27955.87  378.865  310.852   2.0542  311.131   2.1084 -0.2791748 2.943641 
1 1 1    6   11   -9 o   91.123   1.5288  2397.89   80.458   0.0000   0.0000  2397.89   80.458  ?   ?    91.123   1.5288      ?      ? 
1 1 1    6   12   -9 o  385.141   1.5871 42758.44  345.610 42451.66  444.673 43226.50  549.265  383.403   2.0082  386.879   2.4582 -3.476685 3.174208 
1 1 1    6   13   -9 o  398.186   2.3570 45794.25  542.010 45812.61  771.303 45776.34  761.819  398.265   3.3533  398.108   3.3133 0.1567993 4.714086 
1 1 1    6   14   -9 o  460.026   3.0755 61121.99  817.125 61121.99  817.125   0.0000   0.0000  460.026   3.0755  ?   ?       ?      ? 
1 1 1    6   15   -9 o  475.427   2.3293 65036.66  567.649 65827.30  1096.43 64747.12  663.493  477.369   3.9769  473.485   2.4263 3.884399 4.658578 
1 1 1    6   16   -9 o  319.621   1.8715 29478.90  326.516 29584.91  563.214 29425.23  400.730  320.046   3.0470  319.197   2.1737 0.8483887 3.742929 
1 1 1    6   17   -9 o  174.614   1.5550  8791.33  144.562  8768.66  173.446  8842.91  261.620  174.250   1.7235  174.978   2.5888 -0.7280731 3.110045 
1 1 1    6   18   -9 o  125.287   1.7171  4573.81  111.151  4443.33  209.799  4624.73  131.054  124.029   2.9288  126.545   1.7932 -2.515999 3.434163 
1 1 1    6   19   -9 o  321.804   2.3886 29907.47  443.879 29370.83  621.742 30465.33  633.914  318.861   3.3762  324.748   3.3799 -5.886688 4.777232 
1 1 1    6   20   -9 o  382.112   2.4989 42170.48  551.363 42799.64  789.255 41570.74  770.570  384.895   3.5505  379.330   3.5173 5.564301 4.997748 
1 1 1    6   21   -9 o  356.293   2.3429 36690.89  481.650 36287.70  694.243 37065.06  668.780  354.401   3.3918  358.185   3.2329 -3.783966 4.685718 
1 1 1    6   22   -9 o  363.234   2.4247 38111.49  508.657   0.0000   0.0000 38111.49  508.657  ?   ?   363.234   2.4247      ?      ? 
1 1 1    6   23   -9 o  334.662   2.1986 32351.29  424.897 33052.55  606.599 31675.79  595.349  338.222   3.1054  331.103   3.1133 7.119537 4.397283 
1 1 1    6   24   -9 o  180.475   1.6162  9429.68  141.951  9370.84  295.023  9447.41  161.927  180.091   2.8365  180.860   1.5502 -0.7694550 3.232460 
1 1 1    6   25   -9 o  294.399   1.8865 24977.99  298.398 24867.38  360.568 25218.38  531.569  293.399   2.1279  295.400   3.1158 -2.001587 3.773031 
1 1 1    6   26   -9 o  298.300   2.1863 25693.10  375.826 25347.53  513.057 26093.23  552.084  296.146   2.9997  300.454   3.1816 -4.308624 4.372696 
1 1 1    6   27   -9 o  110.560   1.8465  3494.70  114.475  3381.26  144.340  3687.03  187.942  108.177   2.3103  112.944   2.8812 -4.766907 3.693092 
1 1 1    6   28   -9 o  228.194   1.6627 14958.08  205.276 14794.70  249.203 15302.93  362.048  226.295   1.9068  230.093   2.7244 -3.798126 3.325404 
1 1 1    6   29   -9 o  138.977   1.7406  5578.52  117.705  5590.00  245.177  5575.08  134.180  139.037   3.0533  138.918   1.6724 0.1187592 3.481293 
1 1 1    6   30   -9 o  291.206   1.4799 24501.39  248.859 24757.04  355.640 24256.13  348.352  292.693   2.1038  289.719   2.0819 2.973999 2.959798 
1 1 1    6   31   -9 o   80.697   2.5033  1879.00  107.168  1899.28  195.358  1870.28  128.176   80.971   4.1775   80.422   2.7596 0.5488815 5.006683 
1 1 1    6   32   -9 o  227.257   2.0353 14937.53  267.134 14948.30  378.698 14926.86  376.879  227.338   2.8843  227.176   2.8725 0.1616364 4.070622 
1 1 1    6   33   -9 o  131.063   2.3186  4965.63  175.506  4965.63  175.506   0.0000   0.0000  131.063   2.3186  ?   ?       ?      ? 
1 1 1    6   34   -9 o   55.008   3.6806  884.797  112.392  901.754  141.465  855.776  185.074   55.771   4.3919   54.244   5.9075 1.526791 7.361242 
1 1 1    6   35   -9 f  318.920   1.8918 29540.36  301.634 29170.56  601.556 29664.57  348.628  317.455   3.2810  320.385   1.8841 -2.929962 3.783505 
1 1 1    6   36   -9 o  139.305   1.5356  5610.92  123.434  5594.89  178.338  5625.67  171.016  139.110   2.2197  139.500   2.1227 -0.3892670 3.071295 
1 1 1    6   37   -9 o   97.485   2.9620  2785.26  160.608  2650.83  262.111  2866.08  203.230   95.516   4.7514   99.455   3.5382 -3.938316 5.924054 
1 1 1    6   38   -9 o  107.375   2.6830  3336.95  166.386   0.0000   0.0000  3336.95  166.386  ?   ?   107.375   2.6830      ?      ? 
1 1 1    6   39   -9 o   82.552   3.2518  1975.71  155.037   0.0000   0.0000  1975.71  155.037  ?   ?    82.552   3.2518      ?      ? 
1 1 1    6   40   -9 o  130.658   2.5848  4944.73  195.051   0.0000   0.0000  4944.73  195.051  ?   ?   130.658   2.5848      ?      ? 
1 1 1    6   41   -9 o   46.536   7.0162  642.837  188.571   0.0000   0.0000  642.837  188.571  ?   ?    46.536   7.0162      ?      ? 
1 1 1    6   42   -9 o   32.049   8.8597  323.232  169.474   0.0000   0.0000  323.232  169.474  ?   ?    32.049   8.8597      ?      ? 
1 1 1    6   43   -9 o  106.938   3.1913  3332.88  197.097   0.0000   0.0000  3332.88  197.097  ?   ?   106.938   3.1913      ?      ? 
1 1 1    6   44   -9 o  118.586   2.8618  4099.53  196.001   0.0000   0.0000  4099.53  196.001  ?   ?   118.586   2.8618      ?      ? 
1 1 1    6   45   -9 o   61.289   5.0234  1124.67  177.815   0.0000   0.0000  1124.67  177.815  ?   ?    61.289   5.0234      ?      ? 
1 1 1    6   46   -9 o   39.177   8.1507  508.021  178.418   0.0000   0.0000  508.021  178.418  ?   ?    39.177   8.1507      ?      ? 
1 1 1    6   47   -9 o   86.283   3.8306  2212.56  190.889   0.0000   0.0000  2212.56  190.889  ?   ?    86.283   3.8306      ?      ? 
1 1 1    6   48   -9 o   48.908   5.9716  744.901  168.676   0.0000   0.0000  744.901  168.676  ?   ?    48.908   5.9716      ?      ? 
1 1 1    6   49   -9 o   66.824   4.9158  1367.24  189.719   0.0000   0.0000  1367.24  189.719  ?   ?    66.824   4.9158      ?      ? 
1 1 1    6   50   -9 o   23.808   9.3415  181.821  187.402   0.0000   0.0000  181.821  187.402  ?   ?    23.808   9.3415      ?      ? 
1 1 1    6    0  -10 o  981.243   5.7072 278246.09  3233.83 277306.09  4568.19 279190.31  4578.48  979.581   8.0758  982.905   8.0666 -0.000000 0.000000 
1 1 1    6    1  -10 o  239.172   1.2613 16523.36  174.173 16691.22  243.934 16348.79  248.772  240.411   1.7568  237.932   1.8104 2.479263 2.522669 
1 1 1    6    2  -10 o  949.854   4.8065 262272.69  2285.09 263837.81  2643.64 257648.20  4544.29  955.672   4.7897  944.035   8.3347 11.63739 9.612969 
1 1 1    6    3  -10 o  659.581   2.5331 125501.10  946.265 124872.00  1222.23 126442.30  1495.05  657.534   3.2185  661.629   3.9125 -4.094604 5.066206 
1 1 1    6    4  -10 o  754.428   3.7046 163558.50  1404.50 166200.91  2800.05 162670.20  1623.51  758.396   6.3927  750.459   3.7458 7.936584 7.409282 
1 1 1    6    5  -10 o  178.046   1.1060  9142.47  111.707  9090.94  144.768  9218.29  175.619  177.427   1.4128  178.664   1.7020 -1.237152 2.211909 
1 1 1    6    6  -10 o  841.431   3.1272 204250.50  1421.62 203767.50  1727.16 205265.30  2503.26  839.936   3.5604  842.925   5.1420 -2.989380 6.254343 
1 1 1    6    7  -10 o  250.919   1.1026 18179.94  159.770 18025.78  224.299 18338.74  227.637  249.839   1.5545  251.999   1.5641 -2.159439 2.205153 
1 1 1    6    8  -10 o  1038.53   4.0432 312293.50  2358.63 314566.19  3010.15 308679.00  3796.18  1043.50   4.9947  1033.56   6.3595 9.937378 8.086451 
1 1 1    6    9  -10 o  378.221   1.4878 41255.62  307.091 41139.88  376.695 41484.93  530.249  377.436   1.7281  379.007   2.4224 -1.570740 2.975615 
1 1 1    6   10  -10 o  114.741   1.3130  3793.83   86.520  3727.71  115.874  3877.13  130.067  113.614   1.7659  115.868   1.9436 -2.253975 2.626061 
1 1 1    6   11  -10 o  205.319   1.1618 12147.25  132.958 12072.80  167.141 12275.55  219.412  204.465   1.4154  206.172   1.8427 -1.707214 2.323517 
1 1 1    6   12  -10 o  285.889   1.7470 23563.08  269.387 23720.66  476.073 23488.87  326.724  286.585   2.8763  285.192   1.9836 1.392578 3.493976 
1 1 1    6   13  -10 o  509.451   2.6581 74382.14  665.722 73858.63  761.110 76086.84  1373.43  505.702   2.6060  513.201   4.6338 -7.498962 5.316284 
1 1 1    6   14  -10 o  338.871   1.9261 33163.03  356.416 33174.84  613.861 33157.02  437.762  338.908   3.1362  338.834   2.2370 0.7400513E-01 3.852252 
1 1 1    6   15  -10 o  815.334   3.4280 192097.59  1613.72 193349.20  2258.98 190793.41  2306.03  818.052   4.7813  812.615   4.9135 5.436523 6.855930 
1 1 1    6   16  -10 o  305.321   1.3673 26929.01  235.125 26953.30  300.960 26890.95  376.671  305.501   1.7057  305.141   2.1374 0.3599243 2.734556 
1 1 1    6   17  -10 o  321.093   2.0899 29773.61  386.977 29668.97  532.445 29890.77  563.403  320.497   2.8765  321.688   3.0325 -1.191589 4.179743 
1 1 1    6   18  -10 o  698.596   3.7030 140911.91  1417.95 141498.09  2425.25 140607.50  1747.79  699.604   6.0023  697.587   4.3382 2.017212 7.405902 
1 1 1    6   19  -10 o  145.502   1.7590  6171.14  139.510  5942.83  238.768  6289.49  171.906  143.435   2.8823  147.570   2.0170 -4.135391 3.517938 
1 1 1    6   20  -10 o  414.885   2.5622 49725.11  613.880 50505.66  874.616 48967.19  861.840  418.094   3.6221  411.677   3.6248 6.417267 5.124325 
1 1 1    6   21  -10 o  296.029   2.0744 25278.22  353.513 25776.27  523.591 24860.99  479.234  298.701   3.0351  293.358   2.8286 5.342590 4.148790 
1 1 1    6   22  -10 o  232.249   1.7667 15671.77  225.553 15285.53  380.646 15880.77  280.006  230.018   2.8653  234.480   2.0676 -4.461731 3.533445 
1 1 1    6   23  -10 o  526.129   3.3592 80055.58  1020.68 79878.52  1450.77 80229.12  1436.26  525.548   4.7797  526.709   4.7215 -1.161682 6.718475 
1 1 1    6   24  -10 o  106.204   2.7410  3259.05  168.126   0.0000   0.0000  3259.05  168.126  ?   ?   106.204   2.7410      ?      ? 
1 1 1    6   25  -10 o  141.402   2.2637  5773.83  184.342  5710.81  250.762  5847.93  271.919  140.568   3.0888  142.236   3.3101 -1.668533 4.527423 
1 1 1    6   26  -10 o  251.697   1.7004 18297.72  237.349 18331.55  395.529 18278.68  296.709  251.857   2.7192  251.536   2.0424 0.3212280 3.400799 
1 1 1    6   27  -10 o  166.703   1.3238  8036.38  124.003  7993.67  199.715  8063.17  158.189  166.334   2.0790  167.072   1.6394 -0.7380524 2.647581 
1 1 1    6   28  -10 o  173.762   2.0412  8758.23  203.060  8966.31  271.714  8494.99  305.605  176.122   2.6712  171.402   3.0872 4.719986 4.082407 
1 1 1    6   29  -10 o  370.195   2.2754 39498.17  446.621 39284.84  533.833 39995.82  815.347  368.654   2.5073  371.736   3.7977 -3.081879 4.550721 
1 1 1    6   30  -10 o   47.926   5.8836  667.293  162.854   0.0000   0.0000  667.293  162.854  ?   ?    47.926   5.8836      ?      ? 
1 1 1    6   31  -10 o  262.015   1.8082 19836.94  273.621   0.0000   0.0000 19836.94  273.621  ?   ?   262.015   1.8082      ?      ? 
1 1 1    6   32  -10 o  183.072   1.7639  9698.38  183.088  9645.72  287.360  9734.37  237.546  182.631   2.7244  183.512   2.2413 -0.8802490 3.527827 
1 1 1    6   33  -10 o  190.033   1.5963 10336.91  156.574 10666.10  300.469 10214.20  183.450  192.047   2.7090  188.018   1.6894 4.028259 3.192595 
1 1 1    6   34  -10 o  181.143   1.9009  9482.58  198.863   0.0000   0.0000  9482.58  198.863  ?   ?   181.143   1.9009      ?      ? 
1 1 1    6   35  -10 o  153.394   2.5557  6804.88  226.411   0.0000   0.0000  6804.88  226.411  ?   ?   153.394   2.5557      ?      ? 
1 1 1    6   36  -10 o   76.545   4.6101  1701.10  203.802   0.0000   0.0000  1701.10  203.802  ?   ?    76.545   4.6101      ?      ? 
1 1 1    6   37  -10 f  113.041   3.2028  3700.97  209.100   0.0000   0.0000  3700.97  209.100  ?   ?   113.041   3.2028      ?      ? 
1 1 1    6   38  -10 o  112.670   3.2169  3678.65  209.327   0.0000   0.0000  3678.65  209.327  ?   ?   112.670   3.2169      ?      ? 
1 1 1    6   39  -10 o   78.662   4.5993  1802.13  208.949   0.0000   0.0000  1802.13  208.949  ?   ?    78.662   4.5993      ?      ? 
1 1 1    6   40  -10 o   54.520   5.9166  873.264  186.298   0.0000   0.0000  873.264  186.298  ?   ?    54.520   5.9166      ?      ? 
1 1 1    6   41  -10 o   62.185   5.1077  1134.73  183.439   0.0000   0.0000  1134.73  183.439  ?   ?    62.185   5.1077      ?      ? 
1 1 1    6   42  -10 o   62.755   5.4763  1184.66  197.924  1074.98  270.076  1311.90  290.896   59.596   7.8467   65.914   7.6414 -6.318653 10.95267 
1 1 1    6   43  -10 o   26.275   9.1723  201.450  171.205   0.0000   0.0000  201.450  171.205  ?   ?    26.275   9.1723      ?      ? 
1 1 1    6   44  -10 o   61.818   3.8033  1123.79  135.788   0.0000   0.0000  1123.79  135.788  ?   ?    61.818   3.8033      ?      ? 
1 1 1    6   45  -10 o  118.677   2.1777  4097.30  149.264   0.0000   0.0000  4097.30  149.264  ?   ?   118.677   2.1777      ?      ? 
1 1 1    6   46  -10 o   74.890   3.4431  1654.87  148.921   0.0000   0.0000  1654.87  148.921  ?   ?    74.890   3.4431      ?      ? 
1 1 1    6   47  -10 o   55.230   4.4307  942.805  135.562  984.788  227.339  919.640  168.870   55.605   7.0790   54.854   5.3303 0.7506638 8.861458 
1 1 1    6   48  -10 o   67.273   4.0550  1355.99  157.548   0.0000   0.0000  1355.99  157.548  ?   ?    67.273   4.0550      ?      ? 
1 1 1    6   49  -10 o   35.171   6.4892  436.364  127.752  502.383  221.329  403.380  156.443   36.314   10.156   34.028   8.0807 2.285912 12.97849 
1 1 1    6   50  -10 o   39.253   7.9985  589.470  182.307  454.748  220.259  882.541  324.862   33.609   10.339   44.897   12.207 -11.28831 15.99706 
1 1 1    6    0  -11 o  470.270   3.0008 63875.47  814.945 63875.47  814.945   0.0000   0.0000  470.270   3.0008  470.270   3.0008 -0.000000 0.000000 
1 1 1    6    1  -11 o  1649.06   5.7713 786119.88  5496.68 786695.81  7776.89 785544.81  7770.07  1649.67   8.1625  1648.46   8.1613 1.206909 11.54270 
1 1 1    6    2  -11 o  690.366   2.4399 137655.00  972.821 137260.50  1372.89 138052.70  1378.68  689.373   3.4482  691.360   3.4528 -1.986328 4.879783 
1 1 1    6    3  -11 f  1040.20   4.7745 311357.81  2498.59 315385.19  4968.58 309994.59  2890.69  1044.51   8.2364  1035.90   4.8317 8.602173 9.548976 
1 1 1    6    4  -11 o  252.942   1.1020 18481.60  160.874 18630.25  223.913 18322.99  231.287  253.994   1.5264  251.891   1.5898 2.103638 2.203976 
1 1 1    6    5  -11 o  1265.39   6.1802 461157.59  3933.87 459324.31  4551.51 466570.91  7821.18  1260.81   6.2506  1269.96   10.663 -9.158936 12.36034 
1 1 1    6    6  -11 o  285.043   1.3606 23540.28  219.269 23084.39  345.819 23846.79  283.555  282.726   2.1179  287.361   1.7085 -4.634369 2.721107 
1 1 1    6    7  -11 o  357.104   1.6973 36828.73  350.053 36836.04  493.717 36821.33  496.392  357.140   2.3936  357.069   2.4071 0.7147217E-01 3.394606 
1 1 1    6    8  -11 o  389.804   2.1268 44059.42  415.477 43533.01  825.982 44237.72  480.720  388.225   3.6839  391.384   2.1267 -3.158722 4.253656 
1 1 1    6    9  -11 o  441.374   2.7752 56272.87  707.358 56085.02  1006.22 56456.40  994.593  440.645   3.9538  442.103   3.8953 -1.458221 5.550304 
1 1 1    6   10  -11 o  315.529   1.5763 28750.41  287.250 28489.08  404.343 29016.68  408.149  314.082   2.2291  316.977   2.2295 -2.894958 3.152676 
1 1 1    6   11  -11 f  265.132   1.8026 20279.63  257.785 20240.21  312.747 20363.16  455.281  264.736   2.0455  265.527   2.9688 -0.7914734 3.605262 
1 1 1    6   12  -11 o  471.234   2.5393 64113.48  591.819 64087.19  679.619 64195.95  1203.82  471.065   2.4980  471.403   4.4217 -0.3372803 5.078504 
1 1 1    6   13  -11 o  106.820   1.6534  3295.27  102.003  3323.95  144.848  3267.05  143.667  107.281   2.3378  106.359   2.3388 0.9222488 3.306846 
1 1 1    6   14  -11 o  461.713   2.0234 61561.99  539.511 60777.96  757.103 62370.87  769.003  458.727   2.8577  464.699   2.8653 -5.972198 4.046775 
1 1 1    6   15  -11 o  481.419   2.8730 66941.05  798.806   0.0000   0.0000 66941.05  798.806  ?   ?   481.419   2.8730      ?      ? 
1 1 1    6   16  -11 o  199.937   1.8643 11544.78  215.281 11544.78  215.281   0.0000   0.0000  199.937   1.8643  ?   ?       ?      ? 
1 1 1    6   17  -11 o  857.521   4.4904 211922.41  2055.31 210809.70  2469.55 214430.09  3707.42  854.076   5.0065  860.966   7.4559 -6.890076 8.980849 
1 1 1    6   18  -11 o  304.646   1.7580 26803.71  309.322 26803.71  309.322   0.0000   0.0000  304.646   1.7580  ?   ?       ?      ? 
1 1 1    6   19  -11 o  284.268   2.2525 23340.43  369.424 23249.75  510.395 23440.21  535.389  283.691   3.1151  284.845   3.2544 -1.154510 4.505035 
1 1 1    6   20  -11 o  187.938   2.1335 10239.46  224.825 10054.13  362.913 10354.88  286.403  186.543   3.3685  189.332   2.6192 -2.789444 4.266975 
1 1 1    6   21  -11 o  238.994   1.6310 16453.59  219.144 16695.54  354.206 16303.54  278.939  240.406   2.5511  237.582   2.0329 2.823669 3.261994 
1 1 1    6   22  -11 o  199.692   1.8615 11525.51  194.422 11532.40  230.442 11508.47  362.168  199.815   1.9969  199.570   3.1422 0.2447662 3.722995 
1 1 1    6   23  -11 o  327.059   1.8494 30951.17  308.567 30805.67  597.963 31003.97  360.236  326.495   3.1711  327.622   1.9038 -1.126831 3.698725 
1 1 1    6   24  -11 o  170.065   1.9339  8363.26  189.814  8116.22  270.810  8601.83  266.125  167.592   2.7979  172.538   2.6706 -4.946045 3.867860 
1 1 1    6   25  -11 o  186.884   1.5520 10122.66  154.674 10006.20  277.855 10174.96  186.191  186.085   2.5854  187.683   1.7177 -1.597534 3.103961 
1 1 1    6   26  -11 o  208.157   1.6103 12516.02  193.585   0.0000   0.0000 12516.02  193.585  ?   ?   208.157   1.6103      ?      ? 
1 1 1    6   27  -11 o  354.757   2.5583 36374.22  524.160   0.0000   0.0000 36374.22  524.160  ?   ?   354.757   2.5583      ?      ? 
1 1 1    6   28  -11 o   53.183   5.3910  820.367  165.589   0.0000   0.0000  820.367  165.589  ?   ?    53.183   5.3910      ?      ? 
1 1 1    6   29  -11 o  155.301   2.5131  6972.19  225.411   0.0000   0.0000  6972.19  225.411  ?   ?   155.301   2.5131      ?      ? 
1 1 1    6   30  -11 o  161.500   1.9370  7537.02  180.675   0.0000   0.0000  7537.02  180.675  ?   ?   161.500   1.9370      ?      ? 
1 1 1    6   31  -11 o   49.013   4.3879  698.592  124.169  708.621  178.378  689.164  172.950   49.351   6.2583   48.675   6.1521 0.6761322 8.775831 
1 1 1    6   32  -11 o  271.022   2.1331 21222.11  333.219 20843.51  455.292 21658.84  488.997  268.435   2.9367  273.609   3.0945 -5.174133 4.266192 
1 1 1    6   33  -11 o   73.938   3.1305  1586.42  133.357  1725.52  189.666  1450.42  187.542   77.157   4.2562   70.718   4.5918 6.438835 6.260992 
1 1 1    6   34  -11 o  126.959   2.5299  4661.15  185.507   0.0000   0.0000  4661.15  185.507  ?   ?   126.959   2.5299      ?      ? 
1 1 1    6   35  -11 o  221.668   2.3449 14208.12  300.207   0.0000   0.0000 14208.12  300.207  ?   ?   221.668   2.3449      ?      ? 
1 1 1    6   36  -11 o  120.582   2.9683  4208.81  206.721   0.0000   0.0000  4208.81  206.721  ?   ?   120.582   2.9683      ?      ? 
1 1 1    6   37  -11 o  152.243   2.5423  6706.63  223.541   0.0000   0.0000  6706.63  223.541  ?   ?   152.243   2.5423      ?      ? 
1 1 1    6   38  -11 f  124.654   2.5038  4527.96  148.298  4471.95  317.931  4543.53  167.654  123.995   4.4396  125.312   2.3165 -1.316292 5.007609 
1 1 1    6   39  -11 o  118.787   2.5365  4179.53  160.930  3877.94  283.224  4323.33  195.569  115.424   4.2486  122.150   2.7722 -6.726501 5.073049 
1 1 1    6   40  -11 o  164.723   1.9470  7833.92  165.731  7944.42  315.951  7791.98  194.661  165.370   3.3081  164.076   2.0542 1.293823 3.894014 
1 1 1    6   41  -11 o   84.364   4.0859  2102.71  198.999  2085.63  284.865  2118.98  278.110   83.999   5.8719   84.729   5.6833 -0.7306900 8.171857 
1 1 1    6   42  -11 o  128.748   2.2995  4778.97  144.600  4927.83  301.200  4734.38  164.838  129.729   4.0200  127.767   2.2338 1.962082 4.599006 
1 1 1    6   43  -11 o   67.458   4.4090  1342.17  171.776   0.0000   0.0000  1342.17  171.776  ?   ?    67.458   4.4090      ?      ? 
1 1 1    6   44  -11 o   25.863   9.4109  196.046  182.073   0.0000   0.0000  196.046  182.073  ?   ?    25.863   9.4109      ?      ? 
1 1 1    6   45  -11 o   75.207   4.4919  1719.30  192.529  1599.10  249.534  1896.10  302.639   72.279   5.9777   78.136   6.7064 -5.856674 8.983783 
1 1 1    6   46  -11 o   79.184   3.3784  1878.13  150.667  1946.35  242.925  1835.48  192.072   79.992   5.2583   78.376   4.2433 1.616241 6.756815 
1 1 1    6   47  -11 o   51.034   5.4251  877.410  146.994  746.110  236.303  960.287  187.739   46.386   9.1457   55.682   5.8379 -9.295940 10.85014 
1 1 1    6   48  -11 o   33.228   6.8183  394.843  143.674  551.967  212.741  263.086  194.812   39.053   9.5189   27.403   9.7646 11.64933 13.63659 
1 1 1    6   49  -11 o   54.046   5.4348  1030.27  152.959  776.006  240.727  1202.44  198.088   46.138   9.3542   61.954   5.5361 -15.81620 10.86966 
1 1 1    6    0  -12 o  781.547   4.7776 176599.91  2154.45 173081.20  3089.08 179932.59  3006.30  773.950   6.9121  789.144   6.5972 -0.000000 0.000000 
1 1 1    6    1  -12 o  830.430   3.2642 199076.00  1537.16 199909.80  2417.17 198509.91  1991.80  831.863   5.0312  828.998   4.1601 2.864807 6.528366 
1 1 1    6    2  -12 o  212.740   1.8734 13069.41  230.165 12878.07  323.725 13265.01  327.309  211.166   2.6544  214.315   2.6444 -3.148972 3.746802 
1 1 1    6    3  -12 o  694.242   2.6830 139248.09  1055.94 139025.91  1659.73 139399.30  1368.67  693.762   4.1423  694.723   3.4112 -0.9617920 5.366061 
1 1 1    6    4  -12 o  961.168   3.6210 266728.59  1974.54 267772.50  3100.40 266016.19  2561.11  962.711   5.5762  959.625   4.6211 3.086548 7.242087 
1 1 1    6    5  -12 o  226.340   1.1271 14735.89  138.182 14627.28  168.071 14962.45  242.745  225.060   1.2930  227.621   1.8465 -2.560730 2.254232 
1 1 1    6    6  -12 o  672.435   4.2816 130651.20  1662.75 130970.40  2361.83 130337.60  2341.26  673.248   6.0742  671.622   6.0359 1.625977 8.563146 
1 1 1    6    7  -12 o  157.984   1.5068  7214.70  131.722  7231.45  164.338  7184.61  220.288  158.242   1.7982  157.726   2.4183 0.5168304 3.013535 
1 1 1    6    8  -12 o  502.321   2.8113 72554.05  772.492 71864.57  948.401 73913.20  1331.57  498.813   3.2921  505.829   4.5580 -7.015289 5.622561 
1 1 1    6    9  -12 o  230.592   1.7263 15291.96  215.299 15174.24  261.495 15539.71  379.347  229.224   1.9752  231.959   2.8317 -2.735077 3.452506 
1 1 1    6   10  -12 o  700.801   4.2993 141873.70  1740.11   0.0000   0.0000 141873.70  1740.11  ?   ?   700.801   4.2993      ?      ? 
1 1 1    6   11  -12 o  197.083   1.3281 11217.24  150.778 11217.15  221.392 11217.31  205.914  197.082   1.9450  197.084   1.8090 -0.2471924E-02 2.656281 
1 1 1    6   12  -12 o  706.579   3.7946 144543.30  1453.95 143446.50  2533.78 145081.80  1775.32  704.498   6.2274  708.660   4.3376 -4.161743 7.589147 
1 1 1    6   13  -12 o  316.242   2.2541 28890.97  411.635 28440.16  583.641 29337.16  580.651  313.786   3.2205  318.698   3.1546 -4.911591 4.508163 
1 1 1    6   14  -12 o  252.214   1.9879 18371.80  289.555 18543.94  411.651 18203.23  407.368  253.384   2.8130  251.045   2.8096 2.338470 3.975782 
1 1 1    6   15  -12 o  131.534   1.7630  4996.54  133.928  4996.54  133.928   0.0000   0.0000  131.534   1.7630  ?   ?       ?      ? 
1 1 1    6   16  -12 o  263.756   1.8057 20018.82  261.390 19856.45  322.162 20331.64  447.167  262.205   2.1274  265.307   2.9183 -3.101898 3.611437 
1 1 1    6   17  -12 o  316.743   1.6372 28974.25  299.490 28974.25  299.490   0.0000   0.0000  316.743   1.6372  ?   ?       ?      ? 
1 1 1    6   18  -12 o  298.920   1.9601 25793.78  320.421 25863.81  550.469 25757.89  394.060  299.211   3.1854  298.628   2.2848 0.5829163 3.920120 
1 1 1    6   19  -12 o  185.352   2.1004  9922.92  224.840   0.0000   0.0000  9922.92  224.840  ?   ?   185.352   2.1004      ?      ? 
1 1 1    6   20  -12 o  281.702   1.8194 22873.19  283.747 23102.15  475.629 22746.68  353.553  282.780   2.9123  280.624   2.1814 2.155670 3.638700 
1 1 1    6   21  -12 o  152.281   1.8551  6700.80  157.996  6705.24  199.936  6693.42  257.826  152.356   2.2722  152.205   2.9330 0.1508179 3.710166 
1 1 1    6   22  -12 o  131.162   2.1299  4869.39  145.742  4740.08  171.346  5207.69  277.152  128.095   2.3161  134.228   3.5751 -6.133698 4.259772 
1 1 1    6   23  -12 o  317.505   2.3039 29085.54  420.738 28594.79  567.586 29684.11  626.843  314.549   3.1243  320.462   3.3869 -5.912506 4.607852 
1 1 1    6   24  -12 o  349.712   2.4580 35154.57  494.775 32951.15  667.082 37848.94  737.664  337.608   3.4212  361.816   3.5301 -24.20853 4.915923 
1 1 1    6   25  -12 o   75.159   3.8092  1728.31  154.798  1975.56  196.980  1329.02  250.319   82.633   4.1274   67.686   6.4034 14.94772 7.618368 
1 1 1    6   26  -12 o  338.250   2.3747 33043.89  462.893 32469.67  631.576 33710.35  680.408  335.093   3.2634  341.408   3.4507 -6.314606 4.749479 
1 1 1    6   27  -12 o  114.990   2.5911  3822.12  172.078   0.0000   0.0000  3822.12  172.078  ?   ?   114.990   2.5911      ?      ? 
1 1 1    6   28  -12 o  338.166   2.3254 33083.63  454.098 32949.82  647.251 33213.34  637.249  337.487   3.3207  338.846   3.2563 -1.358643 4.650857 
1 1 1    6   29  -12 o   88.237   3.1989  2261.27  162.639  2350.29  225.454  2164.67  234.847   90.065   4.3343   86.409   4.7059 3.655495 6.397739 
1 1 1    6   30  -12 o  116.875   1.9131  3947.33  129.133   0.0000   0.0000  3947.33  129.133  ?   ?   116.875   1.9131      ?      ? 
1 1 1    6   31  -12 o  244.771   1.9093 17373.06  253.407 17187.94  441.311 17464.13  309.522  243.734   3.1350  245.807   2.1803 -2.072327 3.818651 
1 1 1    6   32  -12 o  184.031   2.2380  9789.87  237.873   0.0000   0.0000  9789.87  237.873  ?   ?   184.031   2.2380      ?      ? 
1 1 1    6   33  -12 o   96.701   3.2108  2716.33  173.243  2696.02  283.811  2728.40  218.719   96.358   5.0998   97.045   3.9024 -0.6875153 6.421589 
1 1 1    6   34  -12 o  107.067   2.8269  3374.93  160.181  3189.66  288.114  3457.82  192.709  104.825   4.7590  109.309   3.0525 -4.484749 5.653848 
1 1 1    6   35  -12 o   57.453   3.8651  974.031  125.602  883.726  193.062  1040.30  165.388   55.060   6.0712   59.846   4.7851 -4.785084 7.730195 
1 1 1    6   36  -12 o   66.005   3.4940  1267.37  132.740  1262.66  195.751  1271.39  180.609   65.871   5.1454   66.138   4.7283 -0.2666855 6.987981 
1 1 1    6   37  -12 o  145.832   2.6840  6181.67  225.581  6370.69  312.126  5974.97  326.392  148.197   3.6467  143.467   3.9391 4.730148 5.368011 
1 1 1    6   38  -12 o   55.965   5.7986  927.521  187.275  976.313  270.650  882.700  259.402   57.381   8.1669   54.549   8.2339 2.831989 11.59719 
1 1 1    6   39  -12 o  123.992   2.4927  4494.43  168.343  4381.90  289.316  4552.04  206.992  122.683   4.0832  125.301   2.8603 -2.618095 4.985383 
1 1 1    6   40  -12 o   58.945   4.7353  1082.27  144.186  906.920  259.591  1160.50  173.393   54.931   8.1826   62.958   4.7686 -8.027756 9.470675 
1 1 1    6   41  -12 o  110.548   2.5569  3558.91  150.460  3578.18  272.006  3550.41  180.607  110.551   4.2602  110.545   2.8289 0.6698608E-02 5.113867 
1 1 1    6   42  -12 o   24.794   7.4913   47.904  189.875   32.893  278.688   60.910  259.396   24.833   10.702   24.755   10.486 0.7814980E-01 14.98260 
1 1 1    6   43  -12 f  101.838   2.7491  3022.58  161.689   0.0000   0.0000  3022.58  161.689  ?   ?   101.838   2.7491      ?      ? 
1 1 1    6   44  -12 o   21.228   6.5260   16.848  137.602   74.510  251.081  -7.9055  164.506   24.048   10.256   18.408   8.0730 5.639313 13.05190 
1 1 1    6   45  -12 o   91.521   2.9980  2434.88  147.470  2668.61  266.722  2331.96  176.982   94.120   4.9067   88.921   3.4462 5.198990 5.996014 
1 1 1    6   46  -12 o   19.273   8.5059   0.3768  185.283   0.0000   0.0000   0.3768  185.283  ?   ?    19.273   8.5059      ?      ? 
1 1 1    6   47  -12 o   24.186   7.1380   96.076  177.243  270.321  247.303 -87.9628  254.158   28.231   10.825   20.142   9.3079 8.088261 14.27609 
1 1 1    6   48  -12 o   71.890   4.5471  1570.53  188.793   0.0000   0.0000  1570.53  188.793  ?   ?    71.890   4.5471      ?      ? 
1 1 1    6   49  -12 o   29.167   8.3443  307.058  147.663   0.0000   0.0000  307.058  147.663  ?   ?    29.167   8.3443      ?      ? 
1 1 1    6    0  -13 o   42.027   5.9071  621.268   94.827  657.568  106.763  485.607  206.392   47.219   3.9799   36.835   11.124 -0.000000 0.000000 
1 1 1    6    1  -13 o  215.930   1.3563 13465.51  169.141 13320.96  239.281 13609.86  239.122  214.771   1.9291  217.088   1.9072 -2.316574 2.712699 
1 1 1    6    2  -13 o  427.468   2.7880 52773.90  688.295   0.0000   0.0000 52773.90  688.295  ?   ?   427.468   2.7880      ?      ? 
1 1 1    6    3  -13 o  463.671   2.6221 61861.09  661.592 62803.05  1151.67 61397.12  808.267  466.277   4.2766  461.065   3.0353 5.212585 5.244300 
1 1 1    6    4  -13 o  322.910   2.2831 30113.28  425.779 30113.28  425.779   0.0000   0.0000  322.910   2.2831  ?   ?       ?      ? 
1 1 1    6    5  -13 o  499.173   2.6628 71886.63  711.123 71744.70  856.715 72201.05  1275.15  498.406   2.9762  499.941   4.4163 -1.534973 5.325569 
1 1 1    6    6  -13 o  153.610   1.2351  6822.91  103.636  6787.69  178.111  6840.94  127.428  153.309   2.0116  153.912   1.4335 -0.6029663 2.470123 
1 1 1    6    7  -13 o  554.255   3.0790 88798.50  926.703 88577.77  1612.79 88907.30  1132.28  553.706   5.0433  554.804   3.5337 -1.097473 6.158070 
1 1 1    6    8  -13 o   81.214   2.3895  1904.89  112.079   0.0000   0.0000  1904.89  112.079  ?   ?    81.214   2.3895      ?      ? 
1 1 1    6    9  -13 o  418.776   2.6544 50650.86  641.688 50435.91  893.105 50880.21  922.581  417.859   3.7007  419.692   3.8062 -1.832977 5.308706 
1 1 1    6   10  -13 o  439.299   2.9316 55755.82  743.703 55123.09  1055.62 56379.38  1047.94  436.822   4.1842  441.775   4.1072 -4.952789 5.863198 
1 1 1    6   11  -13 o  816.491   5.1141 192768.30  2411.36 190911.80  3423.00 194597.20  3397.49  812.579   7.2938  820.402   7.1705 -7.822937 10.22817 
1 1 1    6   12  -13 o  319.465   2.1664 29474.96  399.712   0.0000   0.0000 29474.96  399.712  ?   ?   319.465   2.1664      ?      ? 
1 1 1    6   13  -13 o  434.915   2.3223 54680.50  541.865 54522.11  964.904 54753.48  654.881  434.431   3.8457  435.399   2.6043 -0.9687805 4.644559 
1 1 1    6   14  -13 o  109.280   2.9441  3440.05  182.773  3506.83  286.777  3394.38  237.186  110.166   4.5073  108.395   3.7887 1.771042 5.888117 
1 1 1    6   15  -13 o   50.203   4.7590  649.471   99.683  617.939  107.266  849.129  269.914   46.246   4.0160   54.159   8.6292 -7.912285 9.518008 
1 1 1    6   16  -13 o  311.049   2.3110 27946.44  415.125 27601.88  582.865 28301.13  591.380  309.104   3.2650  312.995   3.2715 -3.890594 4.621959 
1 1 1    6   17  -13 o  190.182   2.2457 10458.23  244.837 10525.70  327.522 10372.77  368.612  190.883   2.9709  189.481   3.3684 1.401871 4.491343 
1 1 1    6   18  -13 o  247.767   2.0563 17722.81  294.093 18076.93  424.274 17395.30  408.022  250.146   2.9368  245.387   2.8790 4.759491 4.112581 
1 1 1    6   19  -13 o  281.057   1.8721 22713.63  288.113 23152.37  495.693 22489.79  354.061  283.081   3.0319  279.034   2.1970 4.046509 3.744253 
1 1 1    6   20  -13 o   54.662   3.1699  856.854   99.611  791.593  133.277  939.448  149.933   52.325   4.4102   57.000   4.5545 -4.675259 6.339824 
1 1 1    6   21  -13 o   79.648   2.5878  1823.29  118.163  1753.16  156.591  1916.04  180.074   77.883   3.4813   81.413   3.8298 -3.530235 5.175555 
1 1 1    6   22  -13 o  165.736   1.7598  7818.76  114.801  7776.40  123.211  8097.69  316.168  164.090   1.3001  167.383   3.2706 -3.292892 3.519500 
1 1 1    6   23  -13 o  115.520   2.5837  3857.95  167.994  3861.25  269.768  3855.86  214.708  115.544   4.0426  115.496   3.2188 0.4772186E-01 5.167498 
1 1 1    6   24  -13 o  300.306   2.3454 26058.29  406.784   0.0000   0.0000 26058.29  406.784  ?   ?   300.306   2.3454      ?      ? 
1 1 1    6   25  -13 o  156.022   1.7851  7032.38  160.857   0.0000   0.0000  7032.38  160.857  ?   ?   156.022   1.7851      ?      ? 
1 1 1    6   26  -13 o   94.648   2.7734  2629.53  139.402  2689.46  168.053  2497.34  249.605   96.444   3.0171   92.852   4.6545 3.591431 5.546834 
1 1 1    6   27  -13 o  319.863   1.9676 29686.76  348.970 29963.09  437.323 29202.35  579.013  321.976   2.3518  317.750   3.1551 4.225952 3.935176 
1 1 1    6   28  -13 o   20.878   6.4607 -91.5102  137.595   80.823  254.266 -162.8740  163.622   26.191   10.672   15.564   7.2847 10.62658 12.92131 
1 1 1    6   29  -13 o  150.051   2.0770  6515.60  170.850  6522.80  210.803  6501.80  291.664  150.210   2.4299  149.892   3.3691 0.3181915 4.153978 
1 1 1    6   30  -13 o  238.370   1.9942 16420.75  274.544   0.0000   0.0000 16420.75  274.544  ?   ?   238.370   1.9942      ?      ? 
1 1 1    6   31  -13 o   49.425   5.5672  670.099  150.581  586.954  181.446  854.071  269.900   44.866   7.0023   53.983   8.6569 -9.117069 11.13436 
1 1 1    6   32  -13 f  340.172   2.0877 33421.40  391.741 33661.73  661.494 33291.58  486.159  341.022   3.3586  339.322   2.4807 1.699615 4.175442 
1 1 1    6   33  -13 f  152.591   1.7919  6724.48  157.555  6860.33  231.744  6607.72  214.846  154.016   2.6053  151.166   2.4609 2.849777 3.583769 
1 1 1    6   34  -13 o   77.808   3.3022  1693.21  132.694  1902.17  259.251  1619.04  154.460   80.856   5.5517   74.760   3.5773 6.095367 6.604435 
1 1 1    6   35  -13 o  128.917   1.8605  4828.13  137.493  4630.55  205.017  4989.63  185.356  126.493   2.8063  131.341   2.4436 -4.847450 3.721076 
1 1 1    6   36  -13 o  141.792   2.1741  5875.69  168.634  5656.63  286.427  5991.91  208.624  139.680   3.5505  143.904   2.5102 -4.223419 4.348256 
1 1 1    6   37  -13 o   62.897   5.0988  1171.98  182.174  1210.20  239.484  1119.49  280.652   64.240   6.4548   61.553   7.8947 2.687218 10.19756 
1 1 1    6   38  -13 o   15.803   7.3276 -130.9093  159.491   0.0000   0.0000 -130.9093  159.491  ?   ?    15.803   7.3276      ?      ? 
1 1 1    6   39  -13 o   57.668   3.8357  976.064  127.552  973.580  185.482  978.292  175.687   57.572   5.5783   57.765   5.2661 -0.1921997 7.671365 
1 1 1    6   40  -13 o   81.378   4.0584  1957.24  190.543  2004.97  265.694  1906.70  273.408   82.450   5.5797   80.306   5.8949 2.143539 8.116823 
1 1 1    6   41  -13 o   17.259   5.7386 -161.2249  136.424 -118.0368  162.895 -262.6702  249.656   16.094   7.4422   18.425   8.7374 -2.330912 11.47727 
1 1 1    6   42  -13 o  118.309   2.3467  4010.77  139.087  4252.30  280.897  3932.32  160.090  120.283   4.0435  116.335   2.3827 3.948257 4.693315 
1 1 1    6   43  -13 o   64.777   4.2303  1282.17  146.165  1239.05  259.130  1302.29  177.013   63.365   7.0809   66.190   4.6305 -2.825443 8.460502 
1 1 1    6   44  -13 o   12.931   6.3686 -323.1093  168.576   0.0000   0.0000 -323.1093  168.576  ?   ?    12.931   6.3686      ?      ? 
1 1 1    6   45  -13 o   51.323   5.0038  799.874  145.251  1023.50  235.754  663.049  184.409   56.802   7.1863   45.844   6.9649 10.95860 10.00767 
1 1 1    6   46  -13 o   16.569   5.3967 -62.7480  112.784 -280.3331  235.332   2.1293  128.503   16.686   8.0618   16.451   7.1768 0.2349396 10.79349 
1 1 1    6   47  -13 o   20.257   8.0280  101.457  139.699   0.0000   0.0000  101.457  139.699  ?   ?    20.257   8.0280      ?      ? 
1 1 1    6   48  -13 o   46.393   5.4367  767.280  112.108  642.025  235.735  803.888  127.442   41.286   9.9936   51.500   4.2847 -10.21407 10.87342 
1 1 1    6    0  -14 o  312.413   2.3455 28190.86  423.151   0.0000   0.0000 28190.86  423.151  312.413   2.3455  312.413   2.3455 -0.000000 0.000000 
1 1 1    6    1  -14 o   31.471   6.0609  289.345  111.059  264.484  141.931  328.607  178.362   29.759   8.0592   33.182   9.0547 -3.423336 12.12183 
1 1 1    6    2  -14 o  366.960   1.9734 38873.75  364.503 38855.14  422.210 38928.21  722.279  366.801   1.9930  367.119   3.4065 -0.3179321 3.946729 
1 1 1    6    3  -14 o   13.465   4.4624 -144.2944   88.198 -74.9713  128.575 -205.9057  121.212   15.121   6.8471   11.808   5.7246 3.312843 8.924879 
1 1 1    6    4  -14 o  510.591   2.7806 75349.74  767.727 75184.49  1347.18 75429.20  934.280  510.148   4.5724  511.033   3.1655 -0.8846741 5.561234 
1 1 1    6    5  -14 o  241.404   2.0577 16834.69  286.759 16207.87  404.739 17466.48  406.344  236.890   2.9583  245.917   2.8610 -9.027176 4.115450 
1 1 1    6    6  -14 o   55.113   4.3465  877.488  138.352   0.0000   0.0000  877.488  138.352  ?   ?    55.113   4.3465      ?      ? 
1 1 1    6    7  -14 o  348.186   2.3534 35013.03  473.257   0.0000   0.0000 35013.03  473.257  ?   ?   348.186   2.3534      ?      ? 
1 1 1    6    8  -14 o  397.831   2.4154 45653.28  554.557 47349.24  803.649 44111.65  766.213  404.874   3.4369  390.789   3.3949 14.08578 4.830844 
1 1 1    6    9  -14 o  209.735   2.1419 12684.94  259.116 13089.87  378.285 12327.01  355.653  212.883   3.0768  206.588   2.9808 6.294922 4.283892 
1 1 1    6   10  -14 o  256.333   2.1298 18976.43  315.302   0.0000   0.0000 18976.43  315.302  ?   ?   256.333   2.1298      ?      ? 
1 1 1    6   11  -14 o  449.372   2.9424 58344.72  762.620 58413.97  1052.00 58268.02  1107.12  449.659   4.0509  449.086   4.2686 0.5732422 5.884737 
1 1 1    6   12  -14 o  584.937   3.7662 98845.09  1272.33   0.0000   0.0000 98845.09  1272.33  ?   ?   584.937   3.7662      ?      ? 
1 1 1    6   13  -14 o  342.315   2.4901 33844.95  492.294   0.0000   0.0000 33844.95  492.294  ?   ?   342.315   2.4901      ?      ? 
1 1 1    6   14  -14 o  113.232   3.0776  3759.05  196.829  3414.99  304.218  4006.79  258.140  108.701   4.8458  117.763   3.7954 -9.061615 6.155234 
1 1 1    6   15  -14 o  349.759   2.0749 35354.34  398.843 35284.43  677.391 35391.43  493.444  349.475   3.3561  350.042   2.4408 -0.5664063 4.149825 
1 1 1    6   16  -14 o  574.841   2.6706 95480.48  886.518 95316.09  1243.61 95650.32  1264.09  574.341   3.7491  575.342   3.8042 -1.000732 5.341170 
1 1 1    6   17  -14 o  166.858   1.4898  8036.08  142.972  7981.92  193.249  8101.58  212.505  166.239   2.0128  167.477   2.1970 -1.238083 2.979623 
1 1 1    6   18  -14 o  297.829   1.6270 25621.60  279.530 25639.17  405.221 25605.64  386.100  297.924   2.3551  297.734   2.2454 0.1906128 3.253912 
1 1 1    6   19  -14 o   81.949   2.2643  1940.51  105.132  1940.17  136.064  1941.01  165.612   81.946   2.8750   81.953   3.4990 -0.7400513E-02 4.528614 
1 1 1    6   20  -14 o  214.076   1.2893 13246.70  158.841 13122.59  234.210 13352.39  216.145  213.145   1.9026  215.008   1.7406 -1.862839 2.578691 
1 1 1    6   21  -14 o  234.200   1.4429 15851.33  195.005 16032.88  271.311 15657.33  280.474  235.589   1.9940  232.810   2.0860 2.779221 2.885703 
1 1 1    6   22  -14 o  288.229   1.2767 23999.12  212.503 24125.25  298.831 23870.08  302.248  288.996   1.7904  287.462   1.8205 1.533936 2.553396 
1 1 1    6   23  -14 o  339.486   2.1544 33549.36  390.684 33940.93  471.725 32694.19  697.120  342.728   2.3832  336.243   3.5898 6.485474 4.308834 
1 1 1    6   24  -14 o  176.285   1.7611  8905.38  137.136  8864.09  151.080  9098.60  326.817  175.178   1.4933  177.393   3.1900 -2.214783 3.522172 
1 1 1    6   25  -14 f   31.574   6.1146  311.708  111.429  346.964  133.211  229.557  203.341   33.928   7.0294   29.221   10.007 4.706738 12.22918 
1 1 1    6   26  -14 o   81.685   2.4856  1946.87  114.035  2004.47  146.413  1858.05  181.814   83.254   3.0450   80.117   3.9293 3.137344 4.971103 
1 1 1    6   27  -14 o   97.388   2.7735  2730.97  150.281  2690.57  188.066  2802.33  249.962   96.431   3.3768   98.346   4.4008 -1.914642 5.547080 
1 1 1    6   28  -14 o   96.084   2.8872  2585.04  143.400  2874.57  279.212  2481.31  167.125   99.555   4.8561   92.613   3.1245 6.942184 5.774448 
1 1 1    6   29  -14 o  254.364   2.0228 18576.88  275.701 18352.08  331.776 19078.48  495.601  251.969   2.2799  256.759   3.3421 -4.790375 4.045684 
1 1 1    6   30  -14 o   32.741   7.7245  298.350  175.078  200.402  258.959  380.815  237.612   29.788   11.155   35.694   10.689 -5.906507 15.44900 
1 1 1    6   31  -14 o   63.767   4.9810  1180.20  183.442   0.0000   0.0000  1180.20  183.442  ?   ?    63.767   4.9810      ?      ? 
1 1 1    6   32  -14 o  117.644   2.1416  3995.38  145.319  4282.88  210.940  3735.67  200.484  121.665   3.0020  113.623   3.0551 8.041817 4.283188 
1 1 1    6   33  -14 o   64.137   4.2979  1224.50  139.699  1142.92  268.549  1254.77  163.574   62.502   7.4396   65.773   4.3060 -3.271641 8.595880 
1 1 1    6   34  -14 o  130.361   2.2519  4932.75  147.186  4895.87  292.600  4945.24  170.301  129.947   3.8987  130.775   2.2548 -0.8281403 4.503808 
1 1 1    6   35  -14 o  135.076   2.0766  5148.73  132.154  5515.79  292.538  5054.61  148.131  137.926   3.6724  132.227   1.9397 5.698837 4.153206 
1 1 1    6   36  -14 o   60.818   4.2992  1121.94  130.323  1000.99  253.498  1165.39  151.940   58.300   7.5287   63.336   4.1537 -5.035625 8.598491 
1 1 1    6   37  -14 o  124.901   1.8759  4542.73  129.822  4429.45  215.218  4607.52  162.770  123.617   3.0145  126.185   2.2335 -2.567406 3.751755 
1 1 1    6   38  -14 o   79.679   3.6540  1810.28  160.202  1708.51  196.098  2014.51  277.785   76.538   4.4362   82.819   5.8075 -6.280907 7.308036 
1 1 1    6   39  -14 o   63.880   5.0167  1216.02  184.608  1207.26  270.264  1223.69  252.765   63.590   7.3589   64.170   6.8202 -0.5797424 10.03336 
1 1 1    6   40  -14 o   59.590   4.6438  980.903  152.199  817.003  184.027  1335.70  270.756   52.441   6.0761   66.739   7.0244 -14.29792 9.287688 
1 1 1    6   41  -14 o  108.389   2.7750  3534.67  159.894  3200.61  281.388  3693.98  194.313  104.168   4.6772  112.610   2.9877 -8.442551 5.550019 
1 1 1    6   42  -14 o   80.324   3.2584  1887.64  151.159   0.0000   0.0000  1887.64  151.159  ?   ?    80.324   3.2584      ?      ? 
1 1 1    6   43  -14 o   74.079   4.5360  1684.65  193.787  1578.14  272.974  1792.86  275.151   71.589   6.6023   76.570   6.2219 -4.981873 9.072056 
1 1 1    6   44  -14 o   45.462   5.9771  700.097  123.450  644.748  266.992  715.148  139.227   42.218   10.881   48.707   4.9493 -6.489197 11.95413 
1 1 1    6   45  -14 o   20.246   6.6259 -104.6154  182.953 -88.0950  249.722 -123.7564  268.799   20.169   9.2868   20.322   9.4534 -0.1527271 13.25182 
1 1 1    6   46  -14 o   66.484   3.2838  1354.12  118.714  1391.79  146.724  1282.72  202.008   68.386   3.7149   64.581   5.4160 3.804314 6.567595 
1 1 1    6   47  -14 o   18.603   5.9380 -128.6710  108.242  208.975  245.760 -209.9342  120.566   26.002   10.530   11.204   5.4917 14.79816 11.87609 
1 1 1    6   48  -14 o   56.752   4.9978  1172.89  115.959  874.840  254.523  1250.96  130.263   48.820   9.3677   64.683   3.4869 -15.86294 9.995624 
1 1 1    6    0  -15 o  816.659   5.2588 192654.20  2477.65 195032.41  3590.62 190492.50  3423.23  821.457   7.5698  811.862   7.3021 -0.000000 0.000000 
1 1 1    6    1  -15 o  534.505   2.9761 82750.98  870.791 81845.71  1487.89 83222.61  1073.92  532.242   4.8403  536.767   3.4642 -4.525391 5.952266 
1 1 1    6    2  -15 o  686.226   4.6998 135875.59  1843.46 137779.09  2825.88 134465.41  2432.27  690.356   7.0875  682.095   6.1742 8.261292 9.399683 
1 1 1    6    3  -15 o  348.569   2.6217 35131.84  523.440 34818.69  790.928 35375.88  698.221  347.178   3.9446  349.960   3.4545 -2.781097 5.243414 
1 1 1    6    4  -15 o  365.512   2.5620 38796.36  537.825 34788.04  771.196 42591.71  750.428  347.027   3.8478  383.997   3.3837 -36.96982 5.124004 
1 1 1    6    5  -15 o  164.404   1.8283  7784.42  173.351  7310.13  238.148  8318.94  252.820  159.093   2.5919  169.716   2.5793 -10.62308 3.656577 
1 1 1    6    6  -15 o  559.712   3.6643 90923.06  1179.16 84569.52  1710.01 96682.91  1628.16  540.967   5.4732  578.458   4.8735 -37.49060 7.328511 
1 1 1    6    7  -15 o  325.230   2.2562 30548.71  423.797   0.0000   0.0000 30548.71  423.797  ?   ?   325.230   2.2562      ?      ? 
1 1 1    6    8  -15 f  166.167   2.3491  7979.72  225.292  7843.92  322.757  8108.75  314.621  164.787   3.3913  167.548   3.2514 -2.760849 4.698121 
1 1 1    6    9  -15 o  262.497   1.8405 19917.47  266.921 19956.44  332.348 19846.66  448.008  262.866   2.1891  262.127   2.9593 0.7386475 3.681000 
1 1 1    6   10  -15 o  140.195   1.8065  5677.42  144.473  5672.77  222.403  5680.81  190.027  140.143   2.7478  140.246   2.3461 -0.1035767 3.613084 
1 1 1    6   11  -15 o  369.311   2.0979 39587.73  383.710 39026.05  775.916 39769.56  441.470  367.541   3.6553  371.080   2.0599 -3.539398 4.195773 
1 1 1    6   12  -15 o  417.839   2.3941 50692.34  540.415 49710.97  945.815 51168.02  658.489  414.791   3.9481  420.887   2.7089 -6.096039 4.788116 
1 1 1    6   13  -15 o  630.530   4.0806 114957.00  1485.55 115055.00  2076.33 114854.30  2126.33  630.815   5.6991  630.245   5.8416 0.5703735 8.161179 
1 1 1    6   14  -15 o   74.507   3.5323  1617.20  150.816  1435.57  218.198  1783.36  208.692   70.464   5.3617   78.550   4.6002 -8.085754 7.064638 
1 1 1    6   15  -15 o  394.506   1.9390 44961.21  441.762 45144.79  621.410 44773.63  628.136  395.321   2.7217  393.690   2.7626 1.630554 3.878085 
1 1 1    6   16  -15 o  122.410   1.7395  4342.13  112.326  4294.51  205.717  4362.36  134.077  121.922   2.9215  122.897   1.8890 -0.9754944 3.478983 
1 1 1    6   17  -15 o  466.999   2.1926 63012.97  590.230 63029.13  861.934 62998.71  809.915  467.047   3.1954  466.951   3.0032 0.9609985E-01 4.385183 
1 1 1    6   18  -15 o   90.140   2.3465  2306.47  117.354  2495.07  198.762  2205.55  145.403   92.910   3.7041   87.369   2.8816 5.540756 4.692972 
1 1 1    6   19  -15 o  248.166   1.3834 17775.77  190.979 17840.86  316.153 17738.36  239.644  248.514   2.2027  247.818   1.6744 0.6956329 2.766857 
1 1 1    6   20  -15 o  142.036   1.4936  5853.64  115.067  5752.82  199.949  5903.56  140.701  141.108   2.4535  142.964   1.7041 -1.855835 2.987212 
1 1 1    6   21  -15 o  267.983   1.1731 20761.97  179.213 20859.09  235.552 20628.48  276.155  268.733   1.5177  267.232   1.7893 1.501312 2.346248 
1 1 1    6   22  -15 o  603.655   2.9530 105398.50  1024.90 105092.40  1384.44 105769.60  1524.52  602.739   3.9770  604.570   4.3662 -1.830750 5.905965 
1 1 1    6   23  -15 o  342.864   2.2530 33938.55  425.461 34160.49  720.734 33819.86  527.100  343.659   3.6313  342.070   2.6680 1.588287 4.506085 
1 1 1    6   24  -15 o  250.494   2.1088 18130.97  305.080 18130.97  305.080   0.0000   0.0000  250.494   2.1088  ?   ?       ?      ? 
1 1 1    6   25  -15 o  216.493   1.3111 13560.70  159.698 13625.89  204.228 13458.12  256.201  217.177   1.6282  215.809   2.0555 1.367859 2.622278 
1 1 1    6   26  -15 o  120.785   1.6220  4196.40  105.137  4162.23  126.807  4271.55  188.056  120.022   1.8293  121.548   2.6789 -1.525978 3.243913 
1 1 1    6   27  -15 o   88.951   2.9201  2180.65  132.523  2064.75  152.856  2531.46  265.930   84.482   3.1328   93.420   4.9288 -8.937836 5.840183 
1 1 1    6   28  -15 o  107.227   2.7325  3398.27  141.256  3456.60  161.167  3204.98  293.375  109.339   2.5522  105.114   4.8325 4.224731 5.465098 
1 1 1    6   29  -15 o   52.136   5.9466  790.404  179.059   0.0000   0.0000  790.404  179.059  ?   ?    52.136   5.9466      ?      ? 
1 1 1    6   30  -15 f   97.289   2.9176  2720.01  156.561  2667.75  193.588  2818.80  266.179   95.997   3.4917   98.581   4.6752 -2.583862 5.835144 
1 1 1    6   31  -15 o  141.605   2.7056  5799.54  221.272   0.0000   0.0000  5799.54  221.272  ?   ?   141.605   2.7056      ?      ? 
1 1 1    6   32  -15 o  220.501   1.9844 14022.13  237.451 14194.13  415.237 13938.56  289.447  221.435   3.2469  219.568   2.2825 1.866882 3.968891 
1 1 1    6   33  -15 o  129.952   3.0154  4926.71  223.896  5108.56  298.994  4694.57  337.824  132.747   3.8999  127.158   4.6000 5.589272 6.030723 
1 1 1    6   34  -15 o  111.451   2.1166  3566.70  132.858  3727.14  215.081  3467.70  168.944  113.431   3.2831  109.470   2.6722 3.961479 4.233113 
1 1 1    6   35  -15 o   90.475   2.7094  2380.30  141.012  2314.92  207.257  2436.65  192.411   89.294   4.0188   91.657   3.6348 -2.362404 5.418755 
1 1 1    6   36  -15 o   37.549   6.8480  443.588  135.170  357.787  291.810  467.027  152.520   35.225   11.988   39.874   6.6229 -4.649277 13.69604 
1 1 1    6   37  -15 o  123.211   2.4705  4436.34  142.480  4362.24  311.337  4455.96  160.245  122.348   4.4060  124.074   2.2362 -1.726074 4.941045 
1 1 1    6   38  -15 o   69.874   3.9816  1437.70  131.779  1432.11  283.468  1439.25  148.839   69.424   7.0698   70.325   3.6646 -0.9004288 7.963134 
1 1 1    6   39  -15 o   34.137   5.8122  371.535  112.084  329.118  177.612  399.606  144.488   32.323   9.1184   35.951   7.2098 -3.627880 11.62436 
1 1 1    6   40  -15 o   52.422   4.1420  814.217  124.870  857.255  187.060  779.624  167.707   53.616   6.0409   51.227   5.6684 2.388237 8.283975 
1 1 1    6   41  -15 o   70.670   4.1556  1615.94  144.733  1253.10  272.559  1758.43  170.805   63.941   7.3807   77.400   3.8210 -13.45932 8.311115 
1 1 1    6   42  -15 o   96.646   2.9318  2732.07  144.838  2828.25  281.462  2697.43  168.920   97.267   5.0104   96.026   3.0458 1.240639 5.863527 
1 1 1    6   43  -15 o   75.244   3.7910  1651.50  154.917  1901.32  277.197  1538.04  186.814   78.722   6.0969   71.766   4.5072 6.955841 7.582015 
1 1 1    6   44  -15 o   37.795   7.3635  518.495  162.844  500.284  272.007  528.668  203.303   36.467   11.532   39.123   9.1591 -2.656387 14.72692 
1 1 1    6   45  -15 o   48.677   5.4113  726.569  152.130   0.0000   0.0000  726.569  152.130  ?   ?    48.677   5.4113      ?      ? 
1 1 1    6   46  -15 o   42.203   6.0163  589.901  120.738  647.701  257.603  573.628  136.681   41.344   10.704   43.061   5.4959 -1.716721 12.03261 
1 1 1    6   47  -15 o   33.847   6.3135  419.714  110.361  376.247  261.618  429.123  121.721   30.735   11.266   36.960   5.7023 -6.224802 12.62699 
1 1 1    6   48  -15 o   40.531   6.1931  672.004  121.116  464.006  263.756  727.582  136.341   32.660   11.386   48.402   4.8773 -15.74212 12.38626 
1 1 1    6    0  -16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    1  -16 o  106.399   3.5234  3259.29  215.005  3832.10  314.171  2754.70  294.872  115.164   4.7235   97.635   5.2293 17.52860 7.046763 
1 1 1    6    2  -16 o  161.224   2.1478  7455.34  187.861  7356.89  228.526  7660.53  329.926  159.601   2.4792  162.848   3.5079 -3.247330 4.295582 
1 1 1    6    3  -16 o  471.480   3.0831 64227.70  839.473 65002.52  1186.56 63451.21  1187.83  474.329   4.3313  468.632   4.3887 5.697296 6.166154 
1 1 1    6    4  -16 o  638.992   3.5665 117703.00  1254.10 117051.30  1551.33 118932.10  2130.53  636.511   4.2200  641.472   5.7507 -4.960938 7.132991 
1 1 1    6    5  -16 o  484.225   2.1867 67778.44  597.187 67490.32  952.434 67965.09  766.598  483.362   3.4117  485.087   2.7363 -1.725250 4.373480 
1 1 1    6    6  -16 o  560.644   3.3174 91106.45  1031.35 89811.58  1711.97 91844.10  1292.14  557.456   5.3174  563.831   3.9680 -6.374695 6.634762 
1 1 1    6    7  -16 o  386.953   2.2734 43168.32  474.655 43017.96  575.830 43487.07  838.378  385.925   2.5835  387.981   3.7415 -2.055542 4.546769 
1 1 1    6    8  -16 o  361.612   2.4124 37764.01  503.711 37283.80  703.493 38269.20  721.560  359.255   3.3906  363.970   3.4326 -4.714844 4.824787 
1 1 1    6    9  -16 o  263.676   2.2801 20082.54  343.137 20074.66  451.916 20093.27  527.294  263.622   2.9682  263.730   3.4619 -0.1079407 4.560104 
1 1 1    6   10  -16 o  354.501   2.3624 36307.68  483.473 36398.61  674.267 36211.45  693.613  354.960   3.2890  354.042   3.3922 0.9182434 4.724880 
1 1 1    6   11  -16 f  350.063   2.6471 35373.01  526.273 35222.04  683.922 35592.18  824.034  349.165   3.3915  350.960   4.0654 -1.795105 5.294291 
1 1 1    6   12  -16 o  324.038   2.6016 30324.88  482.508 30235.14  640.414 30442.71  733.821  323.496   3.4277  324.580   3.9146 -1.083710 5.203188 
1 1 1    6   13  -16 f  278.484   2.5160 22378.98  402.020 22156.03  537.370 22662.39  605.854  276.919   3.3600  280.048   3.7458 -3.128601 5.031971 
1 1 1    6   14  -16 o  104.202   2.1571  3136.28  129.820  3136.28  129.820   0.0000   0.0000  104.202   2.1571  ?   ?       ?      ? 
1 1 1    6   15  -16 o  285.812   2.2353 23600.95  368.948 23737.79  525.827 23468.25  517.807  286.627   3.1764  284.997   3.1459 1.630402 4.470612 
1 1 1    6   16  -16 o  225.837   1.8769 14630.65  224.816 14996.75  411.490 14474.88  268.418  227.817   3.1274  223.857   2.0761 3.959930 3.753822 
1 1 1    6   17  -16 o  188.966   1.9883 10390.26  203.979 10535.04  249.999 10101.92  352.801  190.968   2.2667  186.964   3.2673 4.003616 3.976553 
1 1 1    6   18  -16 o  509.678   3.0284 75079.45  845.481 75267.45  1447.45 74982.09  1041.66  510.044   4.9137  509.312   3.5412 0.7324219 6.056808 
1 1 1    6   19  -16 o  117.008   2.2128  3955.29  149.538  3955.29  149.538   0.0000   0.0000  117.008   2.2128  ?   ?       ?      ? 
1 1 1    6   20  -16 o  292.565   1.4795 24749.65  244.447 24624.96  388.319 24831.49  314.603  291.940   2.3031  293.189   1.8579 -1.249084 2.959072 
1 1 1    6   21  -16 o  294.462   1.9111 24993.34  299.220 25229.48  543.199 24890.47  358.517  295.411   3.1838  293.514   2.1149 1.897217 3.822241 
1 1 1    6   22  -16 o  251.156   1.8008 18267.81  219.555 18161.77  457.935 18299.46  250.184  250.625   3.1637  251.686   1.7211 -1.061081 3.601563 
1 1 1    6   23  -16 o  337.964   1.5926 33011.10  306.422 32985.00  475.099 33029.69  400.965  337.829   2.4350  338.099   2.0534 -0.2700195 3.185249 
1 1 1    6   24  -16 o  124.162   1.9959  4516.56  130.320  4603.91  155.815  4313.19  237.741  126.220   2.1374  122.104   3.3712 4.115829 3.991721 
1 1 1    6   25  -16 o  162.509   1.7785  7486.66  138.569  7372.78  156.454  7901.08  298.456  159.746   1.6958  165.272   3.1268 -5.526154 3.557012 
1 1 1    6   26  -16 o  113.395   2.2302  3719.26  145.951  3738.52  210.670  3701.49  202.391  113.674   3.2089  113.117   3.0980 0.5571289 4.460334 
1 1 1    6   27  -16 o  167.930   2.3593  8162.24  228.774  7994.77  324.029  8328.70  323.044  166.208   3.3756  169.652   3.2970 -3.444138 4.718545 
1 1 1    6   28  -16 o  112.473   3.3784  3667.06  219.367  3748.91  315.789  3590.72  304.958  113.682   4.8097  111.264   4.7457 2.417664 6.756864 
1 1 1    6   29  -16 o   77.989   4.7099  1764.27  212.144  1764.27  212.144   0.0000   0.0000   77.989   4.7099  ?   ?       ?      ? 
1 1 1    6   30  -16 f  252.956   2.0224 18561.48  279.219 18669.39  343.331 18350.71  479.846  254.117   2.3393  251.794   3.2997 2.323074 4.044790 
1 1 1    6   31  -16 o  170.640   2.4748  8430.89  243.703  8461.15  352.086  8403.06  337.663  170.925   3.5666  170.355   3.4320 0.5694122 4.949668 
1 1 1    6   32  -16 o   42.955   6.0885  565.992  147.068  435.056  215.122  680.890  201.517   37.669   9.7961   48.242   7.2328 -10.57270 12.17692 
1 1 1    6   33  -16 o  225.701   2.4335 14760.63  317.166 14688.32  451.820 14830.87  445.331  225.149   3.4746  226.253   3.4080 -1.104492 4.867008 
1 1 1    6   34  -16 o  148.589   2.8804  6392.75  247.188   0.0000   0.0000  6392.75  247.188  ?   ?   148.589   2.8804      ?      ? 
1 1 1    6   35  -16 o   73.821   4.4985  1597.44  191.738  1604.70  274.802  1590.55  267.655   73.972   6.4323   73.670   6.2907 0.3022766 8.997060 
1 1 1    6   36  -16 o   30.718   9.6998  282.240  192.488   0.0000   0.0000  282.240  192.488  ?   ?    30.718   9.6998      ?      ? 
1 1 1    6   37  -16 o   85.922   3.7477  2166.41  185.498  2359.74  263.853  1977.47  260.841   89.766   5.0894   82.078   5.5026 7.688438 7.495321 
1 1 1    6   38  -16 o   74.613   3.6743  1622.18  158.334   0.0000   0.0000  1622.18  158.334  ?   ?    74.613   3.6743      ?      ? 
1 1 1    6   39  -16 o   80.511   3.5994  1815.76  153.850  2160.56  289.694  1680.31  181.572   85.282   5.8816   75.741   4.1508 9.540512 7.198809 
1 1 1    6   40  -16 o   67.111   4.4887  1377.46  159.483  1294.33  284.484  1415.56  192.593   65.038   7.5737   69.184   4.8201 -4.145645 8.977365 
1 1 1    6   41  -16 o   46.141   5.2816  637.135  140.749   0.0000   0.0000  637.135  140.749  ?   ?    46.141   5.2816      ?      ? 
1 1 1    6   42  -16 o  107.792   2.8204  3374.24  165.706  3638.49  290.881  3247.29  201.619  110.452   4.5599  105.133   3.3205 5.319344 5.640815 
1 1 1    6   43  -16 o   67.292   4.7875  1362.58  186.062   0.0000   0.0000  1362.58  186.062  ?   ?    67.292   4.7875      ?      ? 
1 1 1    6   44  -16 o   34.083   5.9299  374.043  121.980  202.174  159.389  616.998  189.506   25.060   8.8427   43.106   7.9034 -18.04563 11.85989 
1 1 1    6   45  -16 o   31.366   6.0872  374.116  104.480  194.762  270.192  405.650  113.293   26.422   10.910   36.309   5.4026 -9.887175 12.17436 
1 1 1    6   46  -16 o   50.246   3.5663  752.352  101.693  912.855  163.437  650.957  129.902   54.386   5.2033   46.106   4.8784 8.279716 7.132535 
1 1 1    6   47  -16 o   67.061   4.2748  1368.53  165.563   0.0000   0.0000  1368.53  165.563  ?   ?    67.061   4.2748      ?      ? 
1 1 1    6    0  -17 o   13.834   9.4048 -605.3439  182.315 -128.7363  228.217 -1446.0320  303.099   13.834   9.4048   13.834   9.4048 -0.000000 0.000000 
1 1 1    6    1  -17 o  259.960   1.4795 19523.48  218.639 19484.38  340.610 19550.87  285.138  259.735   2.2706  260.184   1.8975 -0.4490662 2.959096 
1 1 1    6    2  -17 o  250.213   1.9367 18081.18  279.877   0.0000   0.0000 18081.18  279.877  ?   ?   250.213   1.9367      ?      ? 
1 1 1    6    3  -17 o  124.527   2.7997  4479.09  201.351   0.0000   0.0000  4479.09  201.351  ?   ?   124.527   2.7997      ?      ? 
1 1 1    6    4  -17 o  248.048   1.9121 17683.52  262.463 17468.28  326.329 18077.83  441.683  245.929   2.2975  250.166   3.0570 -4.237366 3.824122 
1 1 1    6    5  -17 o   80.934   3.7811  1895.02  164.754  1897.93  199.737  1888.81  291.423   81.045   4.2672   80.822   6.2432 0.2233887 7.562224 
1 1 1    6    6  -17 o  226.360   1.1739 14769.21  151.148 14635.39  196.932 14961.06  235.790  225.116   1.5147  227.604   1.7937 -2.487213 2.347725 
1 1 1    6    7  -17 o  470.860   2.2651 64040.35  615.151 63905.40  847.713 64190.45  894.043  470.341   3.1207  471.380   3.2840 -1.038696 4.530267 
1 1 1    6    8  -17 o  359.824   2.4310 37549.91  409.507 37652.73  460.247 37159.17  897.177  361.060   2.2071  358.588   4.3321 2.472046 4.861934 
1 1 1    6    9  -17 f   34.416   5.4262  357.020  104.880  365.602  142.821  346.975  154.512   34.892   7.3209   33.940   8.0113 0.9515800 10.85249 
1 1 1    6   10  -17 o  261.603   1.4362 19763.48  213.995 19782.05  331.402 19750.20  280.256  261.705   2.1926  261.502   1.8556 0.2028198 2.872438 
1 1 1    6   11  -17 o  364.614   1.9280 38377.17  404.052 38133.46  544.494 38675.84  602.773  363.333   2.5948  365.895   2.8524 -2.562347 3.856059 
1 1 1    6   12  -17 o  458.509   2.9820 60789.55  693.473 60816.09  806.736 60714.43  1357.19  458.803   3.0445  458.215   5.1284 0.5876770 5.964064 
1 1 1    6   13  -17 o  230.541   2.0812 15481.70  249.829 15650.65  296.017 15063.44  465.757  232.771   2.2019  228.312   3.5322 4.458359 4.162317 
1 1 1    6   14  -17 o  299.010   2.2280 25749.78  341.042 25652.32  398.400 26017.05  659.747  297.997   2.3148  300.022   3.8075 -2.024689 4.455951 
1 1 1    6   15  -17 o   69.724   3.7761  1465.08  124.793  1304.50  261.370  1512.49  142.028   67.106   6.7439   72.343   3.3993 -5.236923 7.552169 
1 1 1    6   16  -17 o  264.744   2.1356 20268.08  291.073 20285.07  341.552 20223.01  556.324  264.989   2.2317  264.499   3.6418 0.4897461 4.271245 
1 1 1    6   17  -17 o  248.410   1.5628 17824.57  224.152 17919.66  321.083 17734.17  313.066  249.055   2.2322  247.764   2.1878 1.290314 3.125597 
1 1 1    6   18  -17 o  256.257   1.7653 18907.68  251.738 18728.57  315.479 19221.62  417.674  254.613   2.1454  257.902   2.8041 -3.289764 3.530690 
1 1 1    6   19  -17 o  239.914   2.0722 16628.95  287.131 16628.95  287.131   0.0000   0.0000  239.914   2.0722  ?   ?       ?      ? 
1 1 1    6   20  -17 o  287.148   1.6749 23806.80  276.507 23626.40  373.007 24026.86  411.969  285.950   2.2586  288.346   2.4738 -2.395874 3.349785 
1 1 1    6   21  -17 o  201.035   1.2956 11680.06  148.371 11650.97  229.479 11700.96  194.491  200.813   1.9786  201.258   1.6733 -0.4451141 2.591288 
1 1 1    6   22  -17 o   74.986   2.5324  1622.39  109.523  1535.29  150.330  1720.93  159.890   72.847   3.5731   77.125   3.5896 -4.277855 5.064807 
1 1 1    6   23  -17 o  187.257   1.3094 10168.58  138.703  9943.28  218.219 10321.31  179.665  185.499   2.0369  189.014   1.6458 -3.515274 2.618703 
1 1 1    6   24  -17 o  205.974   1.5479 12206.04  166.425 12391.12  312.313 12132.65  196.675  207.023   2.6121  204.925   1.6618 2.098160 3.095868 
1 1 1    6   25  -17 o  126.214   2.2315  4604.38  162.663   0.0000   0.0000  4604.38  162.663  ?   ?   126.214   2.2315      ?      ? 
1 1 1    6   26  -17 o  136.319   2.8397  5393.30  223.021  5566.50  307.947  5202.27  323.420  138.643   3.8459  133.996   4.1792 4.646957 5.679467 
1 1 1    6   27  -17 o   89.589   2.6668  2321.39  137.546  2358.79  203.514  2289.94  186.620   90.244   3.9047   88.935   3.6333 1.309029 5.333658 
1 1 1    6   28  -17 o  205.689   2.4529 12243.04  289.835 12208.46  389.993 12285.69  433.175  205.390   3.2877  205.988   3.6411 -0.5978546 4.905802 
1 1 1    6   29  -17 o   50.080   7.3124  769.642  207.005  898.395  282.011  619.222  304.817   55.322   8.8264   44.839   11.661 10.48283 14.62475 
1 1 1    6   30  -17 o  174.686   2.1581  8873.41  205.437  8961.63  252.483  8700.57  353.392  176.040   2.4833  173.333   3.5301 2.707031 4.316101 
1 1 1    6   31  -17 o  123.586   3.3663  4448.81  239.434  4647.51  330.065  4228.12  347.856  126.542   4.5163  120.630   4.9930 5.912079 6.732510 
1 1 1    6   32  -17 o  173.508   2.5339  8695.27  253.299  8328.63  344.006  9129.46  374.354  169.538   3.5133  177.477   3.6522 -7.939423 5.067719 
1 1 1    6   33  -17 o  123.732   3.1832  4459.97  226.489  4581.12  308.877  4319.07  333.100  125.595   4.2582  121.868   4.7326 3.726494 6.366307 
1 1 1    6   34  -17 o  126.864   2.8082  4662.79  188.087  4703.01  345.414  4645.85  224.249  127.106   4.7053  126.623   3.0664 0.4828262 5.616331 
1 1 1    6   35  -17 o   14.246   6.9848 -378.8317  195.443   0.0000   0.0000 -378.8317  195.443  ?   ?    14.246   6.9848      ?      ? 
1 1 1    6   36  -17 o  109.531   3.6130  3509.12  228.470  3640.02  327.701  3385.32  318.698  111.524   5.0877  107.539   5.1313 3.984978 7.226028 
1 1 1    6   37  -17 o   66.436   5.5222  1330.29  210.710  1202.11  302.487  1451.11  293.687   63.153   8.2932   69.718   7.2938 -6.564999 11.04431 
1 1 1    6   38  -17 o   48.625   5.6983  732.141  143.281  715.250  256.002  739.846  172.898   47.332   9.6910   49.918   5.9972 -2.585594 11.39660 
1 1 1    6   39  -17 o   25.225   9.4558  164.153  186.190   0.0000   0.0000  164.153  186.190  ?   ?    25.225   9.4558      ?      ? 
1 1 1    6   40  -17 o   53.213   5.5731  858.346  143.929  951.375  291.069  828.237  165.590   53.813   9.7232   52.613   5.4495 1.199860 11.14624 
1 1 1    6   41  -17 o   65.289   5.2410  1341.71  195.544  1226.52  288.812  1439.21  265.711   62.250   8.0333   68.328   6.7333 -6.078377 10.48192 
1 1 1    6   42  -17 o   22.317   9.3772   79.196  204.773   0.0000   0.0000   79.196  204.773  ?   ?    22.317   9.3772      ?      ? 
1 1 1    6   43  -17 f  103.238   2.7985  3203.19  155.927  3082.05  270.937  3263.19  190.668  101.188   4.6361  105.287   3.1356 -4.098801 5.596915 
1 1 1    6   44  -17 o   32.171   6.5406  413.367  139.895  120.486  283.714  507.451  160.803   25.110   10.809   39.233   7.3672 -14.12355 13.08126 
1 1 1    6   45  -17 o   27.940   9.4076  277.174  179.680   0.0000   0.0000  277.174  179.680  ?   ?    27.940   9.4076      ?      ? 
1 1 1    6   46  -17 o   68.968   3.9306  1432.34  156.566   0.0000   0.0000  1432.34  156.566  ?   ?    68.968   3.9306      ?      ? 
1 1 1    6    0  -18 o  804.505   4.4204 187075.50  1993.72 187073.30  2532.40 187079.00  3233.46  804.589   5.4503  804.421   6.9610 -0.000000 0.000000 
1 1 1    6    1  -18 f   95.208   2.3607  2620.18  128.216  2628.24  168.781  2609.17  197.157   95.384   3.0638   95.031   3.5922 0.3531113 4.721328 
1 1 1    6    2  -18 o  388.800   2.7376 43759.09  561.759 43478.29  1029.14 43878.26  670.451  387.864   4.5942  389.737   2.9786 -1.873291 5.475286 
1 1 1    6    3  -18 o  150.357   2.1800  6523.72  161.983  6517.10  185.914  6544.61  330.049  150.214   2.1430  150.501   3.7971 -0.2872009 4.360094 
1 1 1    6    4  -18 o  367.997   2.3051 39122.59  457.058 39121.70  554.273 39124.47  807.943  368.019   2.6078  367.975   3.8017 0.4455566E-01 4.610133 
1 1 1    6    5  -18 o  357.750   1.9197 36977.11  396.066 37101.58  545.971 36838.84  575.433  358.389   2.6377  357.112   2.7900 1.277496 3.839497 
1 1 1    6    6  -18 o  240.134   2.2646 16659.64  312.950 16655.63  462.533 16663.04  425.002  240.102   3.3355  240.165   3.0640 -0.6254578E-01 4.529235 
1 1 1    6    7  -18 o  292.285   1.6510 24676.23  278.702 24718.11  393.691 24634.15  394.599  292.534   2.3302  292.036   2.3396 0.4975586 3.302028 
1 1 1    6    8  -18 o  117.195   2.5736  3996.16  160.614  3897.64  288.274  4040.51  193.415  116.125   4.2983  118.265   2.8317 -2.139313 5.147205 
1 1 1    6    9  -18 o  158.130   1.9062  7242.10  170.448  7316.85  220.322  7130.67  269.002  159.155   2.3969  157.105   2.9647 2.050262 3.812438 
1 1 1    6   10  -18 o   82.847   2.4637  1976.98  114.386  1957.41  144.827  2009.44  186.493   82.310   3.0466   83.383   3.8726 -1.073448 4.927308 
1 1 1    6   11  -18 o  356.422   1.6006 36809.81  313.009 36329.19  531.977 37064.31  387.109  354.620   2.5974  358.224   1.8711 -3.604492 3.201191 
1 1 1    6   12  -18 o  294.544   1.9228 25058.69  327.091 25058.69  327.091   0.0000   0.0000  294.544   1.9228  ?   ?       ?      ? 
1 1 1    6   13  -18 o  341.764   2.2930 33983.79  363.519 34141.43  407.466 33368.98  804.694  343.795   2.0521  339.733   4.1012 4.061615 4.585943 
1 1 1    6   14  -18 o  147.258   1.3108  6264.74  111.345  6285.83  153.796  6241.50  161.410  147.520   1.8051  146.996   1.9012 0.5231171 2.621688 
1 1 1    6   15  -18 o  138.617   2.0964  5532.79  157.383  5495.77  191.438  5609.99  276.435  137.921   2.4033  139.312   3.4357 -1.390625 4.192880 
1 1 1    6   16  -18 o  143.124   2.2311  5918.04  184.423   0.0000   0.0000  5918.04  184.423  ?   ?   143.124   2.2311      ?      ? 
1 1 1    6   17  -18 o  226.260   2.0355 14874.94  238.839 14977.05  281.964 14615.58  449.367  227.684   2.1442  224.835   3.4606 2.849075 4.071059 
1 1 1    6   18  -18 o  236.410   1.5277 16153.62  208.379 16284.38  289.020 16012.06  300.711  237.410   2.1079  235.411   2.2118 1.999466 3.055326 
1 1 1    6   19  -18 o  328.974   1.9402 31249.76  325.702 31213.85  380.029 31349.10  632.131  328.691   2.0019  329.257   3.3242 -0.5666199 3.880451 
1 1 1    6   20  -18 o   85.515   3.1659  2120.15  126.197  2121.95  141.571  2113.20  278.453   85.673   2.8612   85.357   5.6484 0.3161926 6.331765 
1 1 1    6   21  -18 o  162.264   1.4535  7605.98  128.376  7614.63  222.570  7601.68  157.152  162.316   2.3742  162.212   1.6774 0.1033020 2.907014 
1 1 1    6   22  -18 o  162.438   1.5993  7623.17  149.940  7701.66  216.382  7550.66  207.962  163.240   2.2951  161.635   2.2277 1.604156 3.198512 
1 1 1    6   23  -18 o   65.050   3.0215  1227.70  111.937  1236.87  146.888  1214.99  172.874   65.359   3.8913   64.742   4.6234 0.6164017 6.043008 
1 1 1    6   24  -18 o  237.733   1.3924 16317.83  189.195 16432.98  289.644 16232.13  249.865  238.452   2.1032  237.015   1.8253 1.437576 2.784830 
1 1 1    6   25  -18 o  162.511   2.0115  7632.37  188.793   0.0000   0.0000  7632.37  188.793  ?   ?   162.511   2.0115      ?      ? 
1 1 1    6   26  -18 o  130.025   2.2558  4873.73  167.062  4785.44  217.934  4999.55  260.158  128.622   2.9338  131.427   3.4274 -2.805389 4.511542 
1 1 1    6   27  -18 o   92.884   2.4065  2424.94  123.759  2746.89  212.460  2259.60  152.258   97.390   3.7773   88.378   2.9830 9.011765 4.813079 
1 1 1    6   28  -18 o   85.489   3.5631  2216.82  142.600  2290.08  161.633  1959.53  302.892   88.959   3.1460   82.020   6.3942 6.939713 7.126199 
1 1 1    6   29  -18 o  255.072   2.2298 18690.81  298.212 18500.32  353.160 19164.12  556.678  252.943   2.4175  257.202   3.7475 -4.258209 4.459621 
1 1 1    6   30  -18 o  136.812   2.8945  5416.37  228.713  5416.37  228.713   0.0000   0.0000  136.812   2.8945  ?   ?       ?      ? 
1 1 1    6   31  -18 o   76.093   4.0832  1679.72  179.446  1679.72  179.446   0.0000   0.0000   76.093   4.0832  ?   ?       ?      ? 
1 1 1    6   32  -18 o  144.261   2.6067  5997.00  198.737  5941.31  236.776  6129.76  365.595  143.255   2.8618  145.266   4.3576 -2.010788 5.213348 
1 1 1    6   33  -18 o   76.789   3.2859  1712.97  145.600  1641.56  200.917  1791.96  211.294   75.108   4.6317   78.470   4.6623 -3.361374 6.571900 
1 1 1    6   34  -18 f   94.602   3.8940  2629.03  210.193  2699.80  278.820  2535.86  319.915   96.184   5.0192   93.019   5.9549 3.164421 7.788044 
1 1 1    6   35  -18 o   43.894   6.9134  608.316  159.739  631.084  188.848  551.060  299.471   46.168   7.0824   41.619   11.875 4.549450 13.82671 
1 1 1    6   36  -18 f   28.159   7.4627  198.925  165.429  270.894  198.589   35.759  299.018   30.112   9.8831   26.207   11.185 3.905714 14.92546 
1 1 1    6   37  -18 o   22.859   6.9222   6.1864  168.293  119.416  205.682 -223.1711  292.733   24.613   9.7453   21.105   9.8335 3.508291 13.84449 
1 1 1    6   38  -18 o   76.767   4.5622  1745.08  200.783  1957.75  307.598  1587.20  265.032   80.725   6.5977   72.809   6.3027 7.916206 9.124323 
1 1 1    6   39  -18 o   56.184   5.9152  1039.05  163.409  889.727  301.103  1101.39  194.552   51.679   10.448   60.689   5.5506 -9.010796 11.83045 
1 1 1    6   40  -18 f   53.071   5.2233  850.946  155.202  981.290  259.260  778.147  193.755   55.791   8.0461   50.351   6.6628 5.440231 10.44664 
1 1 1    6   41  -18 o   42.965   6.1347  680.873  126.311  470.129  257.365  747.741  144.971   36.095   11.188   49.835   5.0369 -13.73929 12.26943 
1 1 1    6   42  -18 o   36.499   7.0408  438.793  130.531  535.027  295.047  415.374  145.549   37.360   12.032   35.638   7.3166 1.722012 14.08169 
1 1 1    6   43  -18 o   52.177   6.2361  1018.67  141.328  740.810  298.666  1098.84  160.425   43.992   11.592   60.362   4.6018 -16.36929 12.47223 
1 1 1    6   44  -18 o   30.247   8.3248  335.188  209.154  347.060  297.615  323.602  293.996   30.575   11.834   29.919   11.712 0.6559753 16.64967 
1 1 1    6   45  -18 o   60.544   4.6894  1085.39  138.222  1375.39  298.501  1006.24  155.949   63.709   8.1126   57.379   4.7059 6.329742 9.378701 
1 1 1    6   46  -18 o   38.174   7.4313  515.630  155.107  795.419  299.140  412.748  181.396   43.255   11.694   33.092   9.1728 10.16306 14.86265 
1 1 1    6    0  -19 o   97.361   3.6150  2785.85  194.797  2858.23  247.040  2666.87  316.740   99.183   4.3315   95.539   5.7890 -0.000000 0.000000 
1 1 1    6    1  -19 o  330.310   1.5819 31537.77  296.326 31388.59  464.875 31639.88  384.586  329.644   2.4418  330.976   2.0119 -1.332367 3.163875 
1 1 1    6    2  -19 o  130.592   1.6315  4983.31  111.516  5064.00  132.775  4790.08  205.461  132.415   1.7362  128.769   2.7627 3.645767 3.262934 
1 1 1    6    3  -19 o  222.994   1.4075 14375.31  166.906 14329.46  301.987 14395.47  200.274  222.729   2.3476  223.259   1.5532 -0.5297852 2.814913 
1 1 1    6    4  -19 f   75.427   2.9247  1694.30  121.109  1469.97  197.977  1828.45  153.096   71.305   4.8074   79.550   3.3323 -8.244965 5.849354 
1 1 1    6    5  -19 f  300.968   1.5153 26174.46  257.283 26113.85  410.218 26213.77  330.329  300.672   2.3623  301.263   1.8985 -0.5905151 3.030655 
1 1 1    6    6  -19 o   94.178   2.1298  2531.30  111.974  2445.67  140.197  2682.16  186.083   92.011   2.6382   96.345   3.3442 -4.334702 4.259573 
1 1 1    6    7  -19 o  146.888   2.2860  6239.44  181.718  6248.97  221.333  6219.74  318.300  147.076   2.6057  146.700   3.7568 0.3754883 4.572001 
1 1 1    6    8  -19 o  279.982   2.3430 22644.26  378.498 22483.41  522.991 22821.17  548.472  278.942   3.2463  281.022   3.3793 -2.079926 4.685993 
1 1 1    6    9  -19 o  167.846   2.0040  8151.07  185.784  8100.00  311.809  8179.19  231.330  167.425   3.2247  168.267   2.3804 -0.8420868 4.008081 
1 1 1    6   10  -19 o  262.552   1.8706 20057.50  247.932 19623.46  486.228 20210.00  288.217  260.588   3.2307  264.516   1.8866 -3.928284 3.741242 
1 1 1    6   11  -19 o   83.422   3.4731  1987.03  158.035  2092.21  276.099  1935.78  192.730   85.020   5.6229   81.825   4.0783 3.194977 6.946180 
1 1 1    6   12  -19 o  206.515   1.8652 12289.95  214.415 12443.81  355.136 12201.68  268.971  207.514   2.9632  205.515   2.2661 1.999054 3.730377 
1 1 1    6   13  -19 o  178.033   1.4549  9118.55  145.641  8994.52  185.231  9319.38  235.708  176.461   1.8175  179.605   2.2723 -3.144043 2.909781 
1 1 1    6   14  -19 o  202.072   1.3578 11822.61  148.335 11872.95  180.629 11718.36  259.952  202.747   1.5426  201.398   2.2349 1.348831 2.715558 
1 1 1    6   15  -19 o  218.052   1.8448 13754.89  217.730 13695.83  381.140 13783.50  265.275  217.677   3.0317  218.426   2.1028 -0.7486420 3.689598 
1 1 1    6   16  -19 o  256.920   1.7407 18924.52  206.050 19322.66  464.787 18827.14  229.873  258.536   3.1128  255.303   1.5590 3.233459 3.481356 
1 1 1    6   17  -19 o  103.419   2.7370  3099.77  149.197  3080.56  273.904  3107.87  177.906  103.152   4.5976  103.686   2.9709 -0.5338516 5.473959 
1 1 1    6   18  -19 o  245.487   1.5011 17410.49  212.524 17460.70  309.096 17365.46  292.685  245.819   2.1772  245.156   2.0672 0.6636505 3.002200 
1 1 1    6   19  -19 o  323.519   1.6721 30235.17  312.141 30558.19  452.172 29941.11  431.428  325.164   2.4078  321.874   2.3208 3.290222 3.344172 
1 1 1    6   20  -19 o  336.228   1.6259 32666.11  311.546 32714.43  481.559 32631.34  408.569  336.419   2.4785  336.037   2.1052 0.3818054 3.251875 
1 1 1    6   21  -19 o  142.346   1.4452  5858.53  118.746  6027.87  167.009  5685.39  168.872  144.429   2.0022  140.262   2.0846 4.167038 2.890392 
1 1 1    6   22  -19 o  176.768   1.6233  9038.82  165.530  8864.57  238.568  9200.59  229.863  175.119   2.3588  178.416   2.2307 -3.297607 3.246573 
1 1 1    6   23  -19 o   85.336   3.0684  2140.74  124.978  2165.01  141.815  2056.36  264.447   86.521   2.8380   84.151   5.4412 2.370232 6.136863 
1 1 1    6   24  -19 o   75.589   4.2199  1737.78  128.198  1555.79  331.160  1769.86  139.039   72.964   7.8586   78.215   3.0779 -5.251640 8.439867 
1 1 1    6   25  -19 o  349.244   2.1596 35254.41  435.595   0.0000   0.0000 35254.41  435.595  ?   ?   349.244   2.1596      ?      ? 
1 1 1    6   26  -19 o  104.552   2.3414  3168.74  138.895  3191.23  180.650  3136.22  217.220  105.029   2.9781  104.075   3.6138 0.9536667 4.682847 
1 1 1    6   27  -19 o  126.352   2.6889  4699.04  183.643  4845.78  225.247  4408.14  317.147  129.414   3.0136  123.290   4.4540 6.123848 5.377704 
1 1 1    6   28  -19 o  352.355   1.9997 36071.26  362.340 36256.90  425.393 35580.57  691.615  354.162   2.0797  350.549   3.4161 3.613739 3.999369 
1 1 1    6   29  -19 o  143.688   1.9398  5994.58  160.101  5739.09  236.120  6211.99  217.819  140.827   2.9031  146.548   2.5735 -5.720169 3.879566 
1 1 1    6   30  -19 o  158.089   2.2990  7277.29  199.013  7113.59  338.709  7363.61  245.945  156.649   3.7438  159.529   2.6694 -2.880585 4.598030 
1 1 1    6   31  -19 o  157.879   2.6122  7228.42  238.170  7231.76  338.853  7225.17  334.830  157.911   3.7155  157.847   3.6728 0.6430054E-01 5.224402 
1 1 1    6   32  -19 o   46.597   4.9265  628.123  127.961  674.784  213.834  602.092  159.715   47.832   7.7406   45.362   6.0963 2.469292 9.852978 
1 1 1    6   33  -19 o   58.156   4.2520  990.003  142.703  939.846  198.008  1044.21  205.845   56.619   6.0552   59.693   5.9708 -3.073242 8.503917 
1 1 1    6   34  -19 o   62.591   5.2440  1119.26  169.552  1260.09  330.389  1068.91  197.550   64.819   8.8254   60.362   5.6666 4.456924 10.48801 
1 1 1    6   35  -19 o  126.264   2.1105  4617.93  151.639  4688.73  236.311  4568.37  197.715  127.029   3.2210  125.498   2.7278 1.531319 4.220908 
1 1 1    6   36  -19 o  144.895   2.2582  6018.35  180.186  5820.79  221.753  6402.25  309.124  141.596   2.7116  148.195   3.6117 -6.598251 4.516374 
1 1 1    6   37  -19 o   87.157   3.6751  2283.00  163.696  2328.01  192.508  2165.48  311.064   89.231   3.7355   85.083   6.3303 4.148460 7.350238 
1 1 1    6   38  -19 o   73.221   4.2938  1755.32  139.894  1857.85  157.625  1374.98  303.594   79.694   3.4246   66.749   7.8752 12.94513 8.587642 
1 1 1    6   39  -19 o   60.030   5.3316  1224.60  147.525  937.895  286.404  1328.15  172.114   53.141   9.6888   66.920   4.4533 -13.77864 10.66318 
1 1 1    6   40  -19 o   43.915   6.4742  594.806  164.205   0.0000   0.0000  594.806  164.205  ?   ?    43.915   6.4742      ?      ? 
1 1 1    6   41  -19 o   18.051   8.2878 -85.5803  196.952   0.0000   0.0000 -85.5803  196.952  ?   ?    18.051   8.2878      ?      ? 
1 1 1    6   42  -19 o   62.146   5.3080  1243.99  190.259  1167.29  267.075  1323.03  271.104   60.030   7.7034   64.262   7.3047 -4.231766 10.61603 
1 1 1    6   43  -19 o   52.317   5.8623  851.540  177.132   0.0000   0.0000  851.540  177.132  ?   ?    52.317   5.8623      ?      ? 
1 1 1    6   44  -19 o   13.457   4.7837 -552.3741  160.035 -429.4984  195.844 -799.3217  277.638   13.022   6.4910   13.892   7.0286 -0.8691053 9.567373 
1 1 1    6   45  -19 o   34.100   7.4579  382.448  136.564  667.065  307.339  312.429  152.439   38.842   12.256   29.357   8.5016 9.485754 14.91574 
1 1 1    6    0  -20 o   73.031   4.5492  1559.01  190.172   0.0000   0.0000  1559.01  190.172   73.031   4.5492   73.031   4.5492 -0.000000 0.000000 
1 1 1    6    1  -20 o  343.410   2.0648 34052.51  362.209 34116.88  701.629 34029.13  422.922  343.590   3.5358  343.231   2.1335 0.3582764 4.129564 
1 1 1    6    2  -20 o  144.512   1.7840  6031.01  148.630  6066.30  217.055  5999.86  203.947  144.908   2.5935  144.116   2.4503 0.7925262 3.567968 
1 1 1    6    3  -20 o  371.513   2.2026 39685.37  444.379 40455.02  777.401 39311.84  541.585  374.137   3.5977  368.889   2.5421 5.248474 4.405196 
1 1 1    6    4  -20 o  300.586   1.9925 26278.54  321.772 25627.53  568.261 26585.79  390.386  297.798   3.3040  303.373   2.2281 -5.574921 3.985070 
1 1 1    6    5  -20 o  411.231   2.2527 48856.88  466.589 48889.93  923.461 48845.55  540.680  411.257   3.8879  411.206   2.2766 0.5041504E-01 4.505466 
1 1 1    6    6  -20 o  373.091   1.7413 40168.14  371.987 40553.77  565.505 39874.01  493.878  374.658   2.6135  371.525   2.3017 3.133545 3.482519 
1 1 1    6    7  -20 o  339.003   1.6265 33158.41  313.494 33429.29  489.320 32969.81  408.294  340.164   2.4907  337.841   2.0926 2.323578 3.253044 
1 1 1    6    8  -20 o  210.878   1.2697 12844.72  154.631 12857.97  218.225 12831.36  219.141  210.987   1.7909  210.768   1.8002 0.2187500 2.539309 
1 1 1    6    9  -20 o  209.442   1.4135 12682.40  165.952 12717.47  210.836 12625.28  269.047  209.831   1.7398  209.053   2.2284 0.7781525 2.827083 
1 1 1    6   10  -20 o  106.793   2.6496  3417.46  131.452  3504.84  148.247  3096.00  284.330  110.143   2.3305  103.444   4.7592 6.699074 5.299152 
1 1 1    6   11  -20 o  161.514   1.7807  7579.52  151.041  7639.42  179.865  7436.26  278.171  162.622   1.9151  160.406   3.0027 2.216003 3.561369 
1 1 1    6   12  -20 o   75.330   3.4903  1641.14  137.104  1639.27  162.127  1645.86  256.882   75.293   3.7283   75.367   5.9015 -0.7461548E-01 6.980597 
1 1 1    6   13  -20 o   16.885   5.6541 -202.8841  136.081 -394.4333  260.246 -130.8023  159.646   17.798   8.5684   15.973   7.3797 1.824799 11.30827 
1 1 1    6   14  -20 o   74.084   3.9108  1587.65  167.330   0.0000   0.0000  1587.65  167.330  ?   ?    74.084   3.9108      ?      ? 
1 1 1    6   15  -20 o   53.770   4.1143  836.632  127.768   0.0000   0.0000  836.632  127.768  ?   ?    53.770   4.1143      ?      ? 
1 1 1    6   16  -20 o   77.837   2.6097  1816.36  108.915  1572.73  186.585  1942.29  134.140   73.705   4.3832   81.969   2.8335 -8.263985 5.219352 
1 1 1    6   17  -20 o  211.081   1.3941 12880.37  167.393 12833.72  260.075 12913.37  218.719  210.744   2.1368  211.418   1.7913 -0.6735840 2.788262 
1 1 1    6   18  -20 o  109.562   1.9971  3471.71  126.318  3510.66  176.659  3430.96  180.689  110.193   2.7758  108.931   2.8721 1.262459 3.994260 
1 1 1    6   19  -20 o  280.523   1.3806 22741.73  223.645 22969.66  314.734 22509.28  317.853  281.945   1.9328  279.101   1.9719 2.843353 2.761182 
1 1 1    6   20  -20 o  166.207   2.2077  7995.25  192.677  8001.14  229.023  7980.98  356.432  166.372   2.3835  166.042   3.7168 0.3292542 4.415413 
1 1 1    6   21  -20 o   89.602   1.8691  2296.88   95.571  2475.06  149.156  2172.76  124.482   92.513   2.7916   86.692   2.4862 5.820618 3.738226 
1 1 1    6   22  -20 o   22.018   5.6225  115.390   88.268  131.717  150.151  106.769  109.112   23.450   8.5442   20.586   7.3107 2.863768 11.24500 
1 1 1    6   23  -20 o  102.529   1.9641  3025.27  114.751  2952.07  149.669  3129.67  178.736  101.043   2.5647  104.015   2.9753 -2.971832 3.928136 
1 1 1    6   24  -20 o   21.596   5.7833   81.015  104.593 -10.5480  149.930  167.822  145.984   18.296   7.8669   24.896   8.4792 -6.600281 11.56656 
1 1 1    6   25  -20 o  183.052   1.8559  9657.28  166.433  9751.92  343.907  9628.33  190.189  183.567   3.2438  182.537   1.8040 1.030029 3.711754 
1 1 1    6   26  -20 o  276.389   1.6543 22072.68  264.077   0.0000   0.0000 22072.68  264.077  ?   ?   276.389   1.6543      ?      ? 
1 1 1    6   27  -20 o  169.314   1.6449  8287.88  160.834  8434.05  228.654  8144.74  226.272  170.792   2.3181  167.836   2.3343 2.956421 3.289754 
1 1 1    6   28  -20 o  130.206   1.8459  4835.04  121.578  5047.65  241.476  4762.84  140.714  132.043   3.1665  128.368   1.8980 3.674957 3.691727 
1 1 1    6   29  -20 f  130.533   2.6358  4977.04  185.312  4834.31  325.222  5045.66  225.501  129.043   4.3638  132.023   2.9574 -2.980179 5.271505 
1 1 1    6   30  -20 o  127.018   2.5890  4759.47  163.637  4841.27  189.369  4518.32  325.136  129.349   2.5349  124.687   4.5150 4.661758 5.177920 
1 1 1    6   31  -20 o  100.316   2.4530  2904.05  139.964  2837.85  181.791  3000.42  219.329   98.953   3.1809  101.678   3.7349 -2.725273 4.905931 
1 1 1    6   32  -20 o   55.078   3.8173  881.334  121.427  881.334  121.427   0.0000   0.0000   55.078   3.8173  ?   ?       ?      ? 
1 1 1    6   33  -20 f   76.116   5.1260  1694.77  225.341  1694.77  225.341   0.0000   0.0000   76.116   5.1260  ?   ?       ?      ? 
1 1 1    6   34  -20 o   79.747   3.6708  1856.50  164.763  1824.61  209.866  1907.73  266.010   78.994   4.6001   80.500   5.7216 -1.506035 7.341504 
1 1 1    6   35  -20 o  107.666   2.3296  3377.38  144.668  3277.94  207.979  3470.58  201.364  106.104   3.3939  109.229   3.1920 -3.125084 4.659129 
1 1 1    6   36  -20 o   63.450   3.9269  1169.81  135.398  1124.32  164.223  1266.38  239.266   61.826   4.5992   65.074   6.3663 -3.248211 7.853832 
1 1 1    6   37  -20 o   58.360   5.0874  959.789  137.180  1178.33  318.411  909.980  152.011   61.255   9.0005   55.465   4.7454 5.789570 10.17481 
1 1 1    6   38  -20 o   17.130   5.6562 -162.3183  139.497 -241.1424  195.851 -81.1521  198.739   15.671   7.5156   18.590   8.4549 -2.918532 11.31231 
1 1 1    6   39  -20 f   76.985   3.7852  1745.23  155.557  1906.86  284.284  1676.16  185.848   78.866   6.2413   75.104   4.2846 3.762733 7.570444 
1 1 1    6   40  -20 o   50.768   4.3449  803.889  122.699  758.789  198.398  831.822  156.140   49.119   6.9936   52.416   5.1578 -3.296524 8.689816 
1 1 1    6   41  -20 o   33.855   6.5817  409.263  134.175  339.433  204.646  461.913  177.698   30.916   10.027   36.795   8.5285 -5.879457 13.16341 
1 1 1    6   42  -20 o   72.060   4.0182  1589.97  156.023  1651.59  276.203  1561.09  189.080   72.219   6.6221   71.902   4.5532 0.3169556 8.036414 
1 1 1    6   43  -20 o   29.035   7.3599  312.304  156.265  344.572  189.022  242.639  277.737   30.675   9.6012   27.395   11.157 3.279602 14.71972 
1 1 1    6   44  -20 f   56.541   6.2908  1123.02  204.342  1075.81  273.547  1182.62  307.366   55.637   8.5130   57.446   9.2643 -1.808388 12.58169 
1 1 1    6    0  -21 o  206.619   1.8441 12412.04  210.733 12073.24  350.338 12604.12  263.792  204.373   2.9695  208.866   2.1873 -0.000000 0.000000 
1 1 1    6    1  -21 o  212.245   1.5795 13020.41  193.348 12878.05  280.123 13149.95  267.205  211.134   2.2972  213.356   2.1685 -2.222000 3.159040 
1 1 1    6    2  -21 o  171.288   1.6373  8476.79  161.958  8565.30  228.325  8387.16  229.770  172.189   2.2960  170.387   2.3349 1.801224 3.274632 
1 1 1    6    3  -21 o  148.702   1.7492  6385.79  149.767  6353.50  203.767  6423.73  220.870  148.297   2.3791  149.109   2.5648 -0.8118286 3.498335 
1 1 1    6    4  -21 o  106.101   1.9726  3252.23  116.977  3255.58  191.318  3250.24  147.829  106.136   3.1211  106.066   2.4132 0.7020569E-01 3.945230 
1 1 1    6    5  -21 o  324.709   1.9869 30616.51  318.651 30178.65  646.860 30756.81  366.161  323.113   3.4663  326.306   1.9430 -3.192810 3.973737 
1 1 1    6    6  -21 o   12.758   6.4039 -677.7606  117.271 -709.9436  142.506 -610.2452  206.406  ?   ?    12.758   6.4039      ?      ? 
1 1 1    6    7  -21 o  386.649   1.9348 43185.20  432.054   0.0000   0.0000 43185.20  432.054  ?   ?   386.649   1.9348      ?      ? 
1 1 1    6    8  -21 o  282.398   1.5286 23036.13  249.298 22759.29  350.000 23321.23  355.178  280.677   2.1591  284.120   2.1645 -3.443573 3.057266 
1 1 1    6    9  -21 o  111.531   1.7418  3593.52  112.186  3660.72  159.879  3528.33  157.459  112.558   2.4594  110.504   2.4672 2.054222 3.483650 
1 1 1    6   10  -21 o   47.839   3.9276  686.800   95.784  716.341  113.059  611.677  180.295   49.766   3.9336   45.913   6.7993 3.853054 7.855193 
1 1 1    6   11  -21 o   81.938   3.1088  1879.57  122.195  1831.55  137.681  2057.77  265.207   79.600   2.9948   84.276   5.4488 -4.675438 6.217553 
1 1 1    6   12  -21 o   97.299   2.1369  2737.35  120.033  2832.40  170.005  2642.86  169.501   98.985   2.9738   95.613   3.0695 3.372635 4.273777 
1 1 1    6   13  -21 o  133.917   1.8513  5179.74  143.033  5255.05  207.800  5111.94  197.176  134.839   2.6684  132.995   2.5671 1.844177 3.702699 
1 1 1    6   14  -21 o   88.360   3.3687  2322.28  158.271  2426.97  192.204  2101.76  278.947   91.594   3.6334   85.126   5.6738 6.467087 6.737452 
1 1 1    6   15  -21 o  262.968   1.6624 19977.95  252.205 19831.93  348.089 20139.32  365.923  261.961   2.3007  263.974   2.4002 -2.013397 3.324795 
1 1 1    6   16  -21 o   77.129   3.5624  1692.83  153.595  1604.95  192.037  1848.87  255.888   74.435   4.4671   79.824   5.5505 -5.388878 7.124813 
1 1 1    6   17  -21 o   84.032   2.6875  2058.30  129.269  2176.34  174.809  1915.85  192.028   86.725   3.4901   81.339   4.0877 5.386269 5.374937 
1 1 1    6   18  -21 o  170.637   1.5609  8369.33  151.033  8181.20  194.795  8652.89  239.149  168.259   2.0045  173.015   2.3933 -4.756561 3.121875 
1 1 1    6   19  -21 o  220.319   1.7143 13935.39  198.959 13798.24  236.401 14268.47  368.391  218.521   1.8731  222.117   2.8717 -3.595581 3.428616 
1 1 1    6   20  -21 o  127.421   2.2763  4651.32  155.629  4574.38  187.309  4822.84  279.672  125.781   2.5784  129.060   3.7521 -3.279663 4.552634 
1 1 1    6   21  -21 o   33.977   6.2228  361.602  112.417  388.668  127.036  263.894  241.369   36.558   6.0166   31.396   10.895 5.162079 12.44566 
1 1 1    6   22  -21 o  162.126   1.5709  7600.86  145.444  7618.70  192.000  7576.83  222.797  162.361   2.0475  161.891   2.3829 0.4705353 3.141741 
1 1 1    6   23  -21 o  266.248   1.9180 20546.85  258.891 20597.07  301.268 20405.04  506.226  266.967   1.9539  265.529   3.3010 1.437500 3.835952 
1 1 1    6   24  -21 o  259.300   1.4238 19445.69  211.932 19553.44  284.903 19312.21  317.113  260.117   1.8965  258.483   2.1242 1.634430 2.847594 
1 1 1    6   25  -21 o   79.756   2.4775  1841.24  114.100  1886.13  163.060  1798.17  159.715   80.708   3.4982   78.803   3.5093 1.905037 4.955028 
1 1 1    6   26  -21 o   84.640   2.6871  2073.66  130.794  2052.40  176.563  2099.51  194.704   84.173   3.6320   85.108   3.9611 -0.9353867 5.374197 
1 1 1    6   27  -21 o  126.673   1.6750  4655.16  117.740  4586.67  195.099  4694.40  147.659  125.911   2.6829  127.434   2.0063 -1.522560 3.350084 
1 1 1    6   28  -21 o   69.798   3.6825  1420.69  147.201  1394.32  221.928  1441.42  196.695   69.181   5.5544   70.415   4.8366 -1.233421 7.365091 
1 1 1    6   29  -21 o  155.782   2.3429  7131.27  195.887  7309.14  238.348  6761.11  343.844  158.922   2.5968  152.641   3.9004 6.281326 4.685756 
1 1 1    6   30  -21 o  211.266   2.1471 12882.94  242.618 12801.91  291.964 13063.76  436.135  210.330   2.4035  212.203   3.5586 -1.873108 4.294272 
1 1 1    6   31  -21 o  158.414   1.8753  7268.46  171.460  7270.87  238.197  7265.85  247.005  158.450   2.6029  158.378   2.7004 0.7200623E-01 3.750621 
1 1 1    6   32  -21 o  122.679   2.6449  4399.17  182.400  4479.08  233.830  4274.96  291.510  124.212   3.2595  121.146   4.1664 3.066391 5.289894 
1 1 1    6   33  -21 o  116.208   2.2824  3924.16  153.177  3898.90  217.213  3949.14  216.041  115.832   3.2469  116.584   3.2086 -0.7523956 4.564814 
1 1 1    6   34  -21 o   92.397   3.7649  2514.34  200.478  2495.44  274.246  2536.03  293.801   92.082   5.1568   92.712   5.4869 -0.6308136 7.529896 
1 1 1    6   35  -21 o   93.161   2.5822  2532.24  138.743  2594.55  202.505  2477.10  190.472   94.219   3.7214   92.103   3.5807 2.116356 5.164381 
1 1 1    6   36  -21 o  112.126   2.6357  3679.02  161.718  3701.56  277.293  3667.40  199.079  112.123   4.2821  112.128   3.0742 -0.5859375E-02 5.271352 
1 1 1    6   37  -21 o  146.734   3.0441  6368.68  257.714  6360.08  372.744  6376.55  356.709  146.559   4.4037  146.909   4.2042 -0.3506165 6.088290 
1 1 1    6   38  -21 o   32.495   5.4066  397.336  117.013   44.044  202.468  574.516  143.383   21.476   9.1855   43.514   5.7054 -22.03772 10.81316 
1 1 1    6   39  -21 o   88.029   3.2939  2369.86  159.378  2491.13  200.512  2161.78  262.652   91.708   3.7857   84.350   5.3915 7.357498 6.587867 
1 1 1    6   40  -21 o   77.192   3.5970  1765.06  160.359  1765.06  160.359   0.0000   0.0000   77.192   3.5970  ?   ?       ?      ? 
1 1 1    6   41  -21 o   54.575   5.6910  1003.43  155.851  935.025  282.992  1033.21  186.717   51.258   9.9178   57.891   5.5845 -6.632935 11.38202 
1 1 1    6   42  -21 o   52.343   4.7687  874.643  143.867  828.794  195.998  928.205  211.842   50.921   6.6645   53.764   6.8223 -2.843208 9.537304 
1 1 1    6   43  -21 o   95.148   3.7801  2816.02  206.960  2791.35  280.675  2845.43  306.382   94.980   5.1166   95.315   5.5656 -0.3348999 7.560191 
1 1 1    6   44  -21 o   59.614   4.8298  1165.66  138.191  1188.27  286.132  1158.78  157.816   57.775   8.5752   61.453   4.4466 -3.677963 9.659526 
1 1 1    6    0  -22 o  133.240   2.3092  5138.34  160.623  5138.54  299.371  5138.26  190.339  133.176   3.8998  133.304   2.4742 -0.000000 0.000000 
1 1 1    6    1  -22 o   96.447   2.0399  2713.03  104.782  2624.14  187.613  2753.33  126.319   95.273   3.4096   97.621   2.2405 -2.348282 4.079863 
1 1 1    6    2  -22 o  211.662   1.8053 12912.12  216.787 12770.63  280.627 13121.52  341.397  210.240   2.3112  213.084   2.7741 -2.844131 3.610696 
1 1 1    6    3  -22 o  215.616   1.3371 13458.97  165.094 13662.94  220.526 13198.88  249.019  217.484   1.7557  213.748   2.0172 3.735779 2.674217 
1 1 1    6    4  -22 o  218.154   1.4179 13774.62  173.814 13635.69  279.585 13862.14  221.909  217.246   2.2283  219.063   1.7540 -1.817535 2.835803 
1 1 1    6    5  -22 o   65.361   2.8802  1300.73  101.416  1033.46  167.299  1456.01  127.516   59.750   4.8481   70.972   3.1110 -11.22170 5.760394 
1 1 1    6    6  -22 o  258.284   1.4071 19290.20  204.500 19351.70  261.466 19193.29  328.189  258.828   1.7491  257.741   2.2047 1.086487 2.814293 
1 1 1    6    7  -22 o   16.161   6.9394  -8.7027  116.384  -8.7027  116.384   0.0000   0.0000   16.161   6.9394  ?   ?       ?      ? 
1 1 1    6    8  -22 o  222.883   1.4944 14352.72  192.343 14349.13  269.812 14356.42  274.271  222.856   2.0963  222.911   2.1304 -0.5476379E-01 2.988834 
1 1 1    6    9  -22 o   52.296   4.4066  762.223  129.564  932.370  215.496  665.898  162.143   56.672   6.5839   47.920   5.8586 8.752037 8.813137 
1 1 1    6   10  -22 o  177.031   2.0160  9053.97  190.251  9045.04  228.600  9074.08  343.164  176.924   2.2372  177.137   3.3543 -0.2127533 4.031942 
1 1 1    6   11  -22 o   52.035   3.2594  786.076   97.684  819.263  135.138  749.762  141.363   53.194   4.3987   50.875   4.8111 2.319401 6.518889 
1 1 1    6   12  -22 o  153.240   1.5841  6805.20  137.723  6891.40  179.368  6681.38  214.971  154.436   2.0110  152.044   2.4481 2.392670 3.168147 
1 1 1    6   13  -22 f  118.376   1.8996  4050.02  129.748  4029.97  179.387  4072.01  187.891  118.072   2.6306  118.680   2.7412 -0.6088791 3.799267 
1 1 1    6   14  -22 o  242.748   1.7532 17024.74  245.799   0.0000   0.0000 17024.74  245.799  ?   ?   242.748   1.7532      ?      ? 
1 1 1    6   15  -22 o   98.909   2.8731  2858.39  156.687  2921.50  195.690  2745.65  261.547  100.487   3.3719   97.331   4.6528 3.155609 5.746143 
1 1 1    6   16  -22 o   61.225   3.0315  1085.42  106.818  1092.59  158.040  1079.39  144.937   61.403   4.4565   61.047   4.1108 0.3559761 6.062933 
1 1 1    6   17  -22 o  114.459   1.9749  3762.21  128.865  3948.08  200.991  3632.47  167.921  116.832   2.9787  112.087   2.5940 4.744888 3.949872 
1 1 1    6   18  -22 o  154.169   1.7591  6882.25  155.908  6754.81  230.717  6989.34  211.508  152.844   2.6136  155.493   2.3552 -2.649704 3.518254 
1 1 1    6   19  -22 o  100.710   2.2811  2939.80  131.454  2972.73  174.971  2897.12  199.182  101.373   2.9885  100.047   3.4472 1.326187 4.562246 
1 1 1    6   20  -22 o   94.499   2.3310  2580.72  127.131  2461.05  176.273  2710.44  183.525   92.218   3.3097   96.779   3.2834 -4.561188 4.662072 
1 1 1    6   21  -22 o  167.886   1.7520  8143.08  169.735  8291.49  246.041  8008.31  234.460  169.342   2.5157  166.431   2.4392 2.910538 3.504067 
1 1 1    6   22  -22 o   69.129   3.8624  1404.62  150.201  1312.34  236.859  1466.69  194.253   67.155   6.1070   71.103   4.7304 -3.948418 7.724766 
1 1 1    6   23  -22 o  239.935   1.9027 16624.73  233.246 16595.45  272.312 16705.40  451.954  239.627   1.9676  240.244   3.2573 -0.6175385 3.805465 
1 1 1    6   24  -22 o  205.901   1.6093 12263.64  190.796 12170.60  280.343 12343.92  260.411  205.163   2.3659  206.639   2.1820 -1.475525 3.218537 
1 1 1    6   25  -22 o  192.683   1.4884 10711.57  163.533 10600.93  214.329 10865.73  252.993  191.511   1.9378  193.856   2.2597 -2.344864 2.976750 
1 1 1    6   26  -22 f  134.259   2.1680  5226.39  163.850  5254.42  209.782  5182.54  262.382  134.760   2.6954  133.758   3.3965 1.001617 4.336036 
1 1 1    6   27  -22 o   87.044   2.6415  2196.75  132.762  2185.91  185.542  2208.13  190.045   86.827   3.7000   87.261   3.7710 -0.4332352 5.283005 
1 1 1    6   28  -22 o   87.535   2.7673  2202.03  138.941  2047.71  183.853  2407.52  212.155   84.008   3.7893   91.062   4.0340 -7.053299 5.534626 
1 1 1    6   29  -22 o  184.690   2.0567  9865.92  219.376  9865.92  219.376   0.0000   0.0000  184.690   2.0567  ?   ?       ?      ? 
1 1 1    6   30  -22 o   27.785   5.7457  201.006  104.566  379.708  165.098   81.303  135.123   35.063   8.2844   20.507   7.9639 14.55593 11.49149 
1 1 1    6   31  -22 o  122.285   2.7508  4341.37  187.279  4312.67  235.103  4391.21  309.795  121.857   3.3406  122.712   4.3712 -0.8552475 5.501531 
1 1 1    6   32  -22 o   57.779   5.4501  1010.50  168.860  1031.87  205.534  966.109  296.188   59.126   6.0190   56.433   9.0876 2.692680 10.90015 
1 1 1    6   33  -22 o  162.796   2.1991  7680.33  206.761  7680.33  206.761   0.0000   0.0000  162.796   2.1991  ?   ?       ?      ? 
1 1 1    6   34  -22 o   34.214   7.7625  288.253  167.680  153.960  198.210  626.267  314.462   25.335   9.6963   43.093   12.125 -17.75797 15.52501 
1 1 1    6   35  -22 o   90.943   2.3963  2456.30  118.202  2536.17  145.589  2301.84  202.466   93.350   2.7004   88.537   3.9595 4.812614 4.792698 
1 1 1    6   36  -22 o   63.278   4.1310  1210.01  150.667  1273.51  210.931  1143.85  215.286   65.081   5.6118   61.475   6.0636 3.605576 8.261930 
1 1 1    6   37  -22 o   26.265   6.8873  198.163  143.346  275.704  195.293  107.587  211.070   28.992   9.8076   23.538   9.6723 5.453867 13.77468 
1 1 1    6   38  -22 o   21.672   6.3959   24.227  135.015  209.275  220.550 -86.6876  170.749   26.606   10.217   16.738   7.6965 9.867773 12.79180 
1 1 1    6   39  -22 o   65.428   4.5988  1310.84  161.814  1260.97  194.928  1421.38  290.203   64.353   5.2447   66.503   7.5557 -2.149994 9.197598 
1 1 1    6   40  -22 o   34.056   6.1389  413.820  120.978  341.336  195.719  458.638  153.899   30.879   9.7841   37.234   7.4173 -6.354273 12.27779 
1 1 1    6   41  -22 f   21.851   6.5898   60.583  153.076  173.449  209.016 -69.9852  224.811   24.506   9.7855   19.197   8.8288 5.308752 13.17968 
1 1 1    6   42  -22 o   31.875   6.7279  389.806  138.440  279.989  216.454  465.827  180.092   27.692   10.232   36.059   8.7390 -8.366430 13.45582 
1 1 1    6   43  -22 o   25.855   6.5486  238.079  127.111  161.441  176.571  320.518  183.132   22.778   9.0260   28.931   9.4905 -6.153414 13.09722 
1 1 1    6    0  -23 o   76.351   3.6287  1696.08  159.188  1696.08  159.188   0.0000   0.0000   76.351   3.6287   76.351   3.6287 -0.000000 0.000000 
1 1 1    6    1  -23 o  123.608   2.1941  4479.46  134.510  4295.73  269.450  4540.44  155.236  121.858   3.8286  125.358   2.1442 -3.499054 4.388099 
1 1 1    6    2  -23 o   42.260   4.5389  530.221  103.263  756.754  152.256  337.260  140.522   51.109   5.1581   33.410   7.4700 17.69857 9.077806 
1 1 1    6    3  -23 o  179.728   1.1737  9325.55  120.291  9295.95  157.930  9366.44  185.646  179.394   1.5243  180.063   1.7852 -0.6693115 2.347403 
1 1 1    6    4  -23 f  118.671   1.6482  4078.51  111.503  4127.21  146.846  4012.19  171.355  119.516   2.1274  117.826   2.5181 1.690727 3.296448 
1 1 1    6    5  -23 o  231.801   1.7552 15418.95  205.423 15754.57  407.145 15304.33  237.928  233.437   3.0199  230.165   1.7899 3.272079 3.510473 
1 1 1    6    6  -23 o   95.731   1.8509  2652.66  102.073  2589.82  148.782  2708.52  140.297   94.655   2.7216   96.807   2.5093 -2.152008 3.701844 
1 1 1    6    7  -23 o  253.520   1.4220 18587.06  204.335 18482.91  320.980 18658.03  264.960  252.909   2.1975  254.131   1.8052 -1.222565 2.843925 
1 1 1    6    8  -23 f  149.217   1.4584  6413.10  124.739  6595.72  189.523  6273.54  165.685  151.080   2.1720  147.354   1.9469 3.726318 2.916853 
1 1 1    6    9  -23 o   88.217   2.2658  2251.26  112.603  2253.28  144.193  2248.10  180.270   88.282   2.8280   88.151   3.5409 0.1312103 4.531624 
1 1 1    6   10  -23 o  212.697   1.8692 13042.33  195.071 13010.32  223.087 13146.30  402.060  212.205   1.8203  213.190   3.2654 -0.9852295 3.738484 
1 1 1    6   11  -23 o  386.146   2.6840 43162.20  598.512 43468.25  842.005 42849.63  850.912  387.538   3.7620  384.755   3.8293 2.783295 5.368023 
1 1 1    6   12  -23 o  158.880   1.6387  7295.87  150.367  7318.51  213.201  7273.45  212.105  159.125   2.3199  158.634   2.3151 0.4903870 3.277422 
1 1 1    6   13  -23 o  281.559   1.9594 22927.29  268.421 22915.74  558.750 22930.75  306.049  281.412   3.4379  281.707   1.8811 -0.2951965 3.918860 
1 1 1    6   14  -23 o   17.445   5.3601 -32.2874  103.481 -171.2565  175.881   41.287  127.975   16.198   7.5721   18.692   7.5886 -2.494814 10.72024 
1 1 1    6   15  -23 o  140.630   2.2133  5739.90  168.388  5774.66  205.287  5668.44  294.387  141.329   2.5150  139.932   3.6426 1.396072 4.426533 
1 1 1    6   16  -23 o   55.347   4.4396  876.495  134.084  847.595  163.373  936.131  234.688   54.036   5.2349   56.659   7.1720 -2.622864 8.879292 
1 1 1    6   17  -23 o  113.231   2.0618  3723.31  133.124  3806.83  175.974  3611.56  203.555  114.738   2.6556  111.725   3.1546 3.012856 4.123541 
1 1 1    6   18  -23 o  286.296   1.7470 23695.40  288.736 23772.14  414.914 23623.34  402.059  286.740   2.5054  285.851   2.4354 0.8890686 3.494033 
1 1 1    6   19  -23 o  147.898   2.2795  6338.37  189.331  6367.17  241.389  6292.33  305.208  148.372   2.8170  147.425   3.5846 0.9467316 4.559008 
1 1 1    6   20  -23 o   80.143   2.6467  1860.79  122.430  1882.60  170.747  1837.71  175.641   80.631   3.6666   79.655   3.8179 0.9763107 5.293467 
1 1 1    6   21  -23 o  289.401   2.3868 24244.41  398.934 24324.24  564.656 24164.86  563.701  289.878   3.3727  288.925   3.3781 0.9523621 4.773600 
1 1 1    6   22  -23 o  327.532   2.2512 31099.91  405.111 31214.56  501.418 30884.41  687.472  328.519   2.6427  326.545   3.6452 1.973145 4.502429 
1 1 1    6   23  -23 o  125.858   2.0145  4553.43  140.861  4476.72  175.847  4690.79  235.313  124.420   2.4471  127.296   3.2007 -2.875328 4.029038 
1 1 1    6   24  -23 o   41.316   7.7340  472.148  172.829  678.290  330.260  394.404  202.817   46.723   12.132   35.908   9.5962 10.81527 15.46805 
1 1 1    6   25  -23 o  157.696   1.8584  7217.93  167.902  7003.63  251.887  7389.28  225.240  155.562   2.8036  159.830   2.4401 -4.268494 3.716732 
1 1 1    6   26  -23 o  144.101   2.0910  6004.56  174.021   0.0000   0.0000  6004.56  174.021  ?   ?   144.101   2.0910      ?      ? 
1 1 1    6   27  -23 o   53.122   3.7826  819.062  115.510  862.587  173.522  784.427  154.789   54.366   5.5265   51.878   5.1661 2.487068 7.565101 
1 1 1    6   28  -23 o  145.023   1.6247  6126.72  130.769  5936.61  215.638  6237.30  164.460  143.188   2.6076  146.858   1.9390 -3.669632 3.249470 
1 1 1    6   29  -23 o   41.384   4.9634  506.526  115.444  591.537  174.131  439.859  154.204   44.798   6.7302   37.969   7.2971 6.828964 9.926867 
1 1 1    6   30  -23 o   49.708   4.1490  715.268  118.009  866.007  179.036  599.469  156.921   54.290   5.7100   45.125   6.0211 9.164101 8.298055 
1 1 1    6   31  -23 o  109.773   3.2165  3548.71  193.130  3600.23  238.715  3451.09  328.590  111.171   3.7180  108.376   5.2497 2.794579 6.432934 
1 1 1    6   32  -23 o   78.986   4.0812  1797.40  174.581  1991.09  312.161  1709.25  210.596   81.694   6.6161   76.278   4.7804 5.415665 8.162428 
1 1 1    6   33  -23 o   49.130   4.3572  723.571  102.671  715.924  215.965  725.804  116.702   48.498   7.7104   49.762   4.0606 -1.264545 8.714299 
1 1 1    6   34  -23 o  140.864   2.7304  5825.11  222.066  5763.14  316.985  5884.83  311.191  140.094   3.9177  141.633   3.8043 -1.538345 5.460896 
1 1 1    6   35  -23 o   44.064   6.5326  595.785  156.424  851.717  266.025  460.532  193.389   50.843   9.4059   37.285   9.0681 13.55862 13.06529 
1 1 1    6   36  -23 o   50.056   6.6269  800.469  174.964  743.455  210.404  928.260  315.002   48.653   7.4879   51.460   10.936 -2.806946 13.25386 
1 1 1    6   37  -23 o   91.761   3.6038  2567.00  181.294  2622.66  225.530  2465.36  304.789   93.859   4.1605   89.664   5.8857 4.195412 7.207697 
1 1 1    6   38  -23 o   23.962   6.8765  117.595  155.910  240.069  216.850 -13.4603  224.319   27.306   10.211   20.618   9.2134 6.687805 13.75310 
1 1 1    6   39  -23 o  130.061   3.0448  5144.77  211.571  4890.89  372.792  5265.40  256.963  126.667   5.0958  133.454   3.3339 -6.786194 6.089555 
1 1 1    6   40  -23 o   33.630   7.2588  423.514  166.518  233.127  240.042  600.122  231.192   26.828   10.558   40.432   9.9647 -13.60378 14.51765 
1 1 1    6   41  -23 o   43.115   6.4088  605.196  140.678  831.911  274.370  524.336  163.856   46.854   10.410   39.376   7.4787 7.477806 12.81767 
1 1 1    6   42  -23 o   37.419   6.4021  611.517  134.686  308.490  297.444  689.674  151.059   28.145   11.514   46.693   5.6015 -18.54857 12.80423 
1 1 1    6    0  -24 o   52.081   4.7041  820.094  134.611  791.769  181.094  855.069  201.232   51.126   6.4054   53.035   6.8910 -0.000000 0.000000 
1 1 1    6    1  -24 o  172.723   1.8245  8781.96  142.628  8369.07  323.666  8881.45  158.886  170.103   3.2946  175.342   1.5690 -5.238464 3.649095 
1 1 1    6    2  -24 o   85.256   3.0193  2072.11  124.477  2045.74  141.128  2164.49  264.153   84.115   2.9051   86.396   5.2939 -2.281136 6.038587 
1 1 1    6    3  -24 o  127.609   1.5700  4687.82  115.260  4902.29  172.131  4513.49  155.188  130.242   2.2884  124.976   2.1500 5.265656 3.139941 
1 1 1    6    4  -24 o  172.271   1.4787  8597.25  143.020  8668.79  182.442  8483.20  230.357  173.217   1.8237  171.326   2.3281 1.891739 2.957305 
1 1 1    6    5  -24 o  111.016   1.8073  3577.26  114.557  3460.49  174.192  3666.25  152.067  109.404   2.7568  112.629   2.3378 -3.224327 3.614585 
1 1 1    6    6  -24 o   71.885   3.4100  1511.79  133.748  1541.88  165.038  1454.21  228.292   72.982   3.9154   70.788   5.5840 2.194290 6.819962 
1 1 1    6    7  -24 f  213.579   1.9195 13157.79  202.892 13248.28  412.824 13128.97  232.970  213.997   3.3402  213.162   1.8924 0.8341217 3.839011 
1 1 1    6    8  -24 o  124.382   2.8237  4473.52  202.841  4473.52  202.841   0.0000   0.0000  124.382   2.8237  ?   ?       ?      ? 
1 1 1    6    9  -24 o  160.272   2.2604  7450.87  194.746  7375.69  344.837  7486.08  235.981  159.625   3.7405  160.919   2.5391 -1.294388 4.520876 
1 1 1    6   10  -24 o   88.890   3.3414  2286.21  171.539  2286.21  171.539   0.0000   0.0000   88.890   3.3414  ?   ?       ?      ? 
1 1 1    6   11  -24 o  151.647   1.6017  6672.88  128.854  6581.41  233.502  6712.92  154.509  150.869   2.6798  152.425   1.7551 -1.556610 3.203432 
1 1 1    6   12  -24 o  373.823   1.8874 40407.11  407.491 40635.00  577.056 40180.45  575.506  374.875   2.6653  372.771   2.6731 2.104065 3.774859 
1 1 1    6   13  -24 o  130.672   1.9324  4938.02  145.831  4897.38  206.441  4978.49  206.032  130.135   2.7467  131.210   2.7188 -1.075089 3.864796 
1 1 1    6   14  -24 o  174.948   2.1005  8915.33  198.809  9033.61  242.838  8674.92  346.217  176.773   2.3786  173.122   3.4627 3.650711 4.200903 
1 1 1    6   15  -24 o  101.068   2.5352  2965.31  147.513  2827.28  214.150  3089.94  203.488   98.812   3.7525  103.325   3.4100 -4.512749 5.070434 
1 1 1    6   16  -24 o  218.921   2.0013 13870.60  249.260 13913.63  325.851 13809.92  386.996  219.361   2.5720  218.481   3.0669 0.8792267 4.002684 
1 1 1    6   17  -24 o   82.351   2.6287  1956.80  123.092  2003.27  192.722  1924.79  159.974   83.155   4.0129   81.547   3.3967 1.607811 5.257428 
1 1 1    6   18  -24 o  148.559   2.1058  6455.82  150.573  6514.57  171.306  6256.25  315.748  150.138   1.9756  146.981   3.7196 3.156998 4.211677 
1 1 1    6   19  -24 o   28.954   7.0877  157.989  149.102   26.018  185.461  399.175  250.720   21.397   8.9534   36.511   10.990 -15.11394 14.17547 
1 1 1    6   20  -24 o   92.499   2.8161  2474.93  150.294  2622.72  217.675  2340.29  207.766   95.134   3.9617   89.863   4.0032 5.271492 5.632148 
1 1 1    6   21  -24 o  120.796   2.9898  4257.54  195.193  4306.70  238.120  4156.83  340.792  121.957   3.3807  119.635   4.9323 2.322701 5.979660 
1 1 1    6   22  -24 o   77.010   3.1968  1712.41  138.036  1684.51  174.679  1758.80  225.251   76.225   3.9679   77.795   5.0133 -1.570755 6.393565 
1 1 1    6   23  -24 o   94.714   3.4793  2641.15  162.643  2673.24  187.269  2542.64  328.118   96.065   3.3753   93.363   6.0851 2.701721 6.958541 
1 1 1    6   24  -24 o   72.309   4.8957  1714.03  156.676  1246.62  337.674  1842.26  176.866   64.921   9.0059   79.697   3.8425 -14.77573 9.791388 
1 1 1    6   25  -24 o   30.343   8.1083  133.170  183.385   26.608  216.159  406.845  346.409   22.843   9.6182   37.843   13.056 -14.99996 16.21656 
1 1 1    6   26  -24 o   70.172   4.5470  1443.90  174.874  1443.09  298.366  1444.33  215.832   69.988   7.3814   70.355   5.3117 -0.3669052 9.093911 
1 1 1    6   27  -24 o   22.143   6.6861   7.0739  151.236  -5.4793  211.064   20.320  216.813   21.673   9.3266   22.612   9.5828 -0.9396534 13.37220 
1 1 1    6   28  -24 o   45.747   5.4903  643.179  137.911  570.015  212.913  696.065  181.018   42.887   8.8880   48.608   6.4481 -5.721077 10.98060 
1 1 1    6   29  -24 o   56.189   4.8019  935.602  155.826  927.583  220.012  943.673  220.732   55.944   6.8094   56.435   6.7722 -0.4909935 9.603717 
1 1 1    6   30  -24 o   82.339   3.1217  2003.81  121.993  2019.89  138.094  1946.65  260.334   83.406   2.8668   81.272   5.5463 2.133179 6.243373 
1 1 1    6   31  -24 o  104.985   2.0737  3205.64  124.621  3212.95  165.701  3196.12  189.086  105.171   2.7280  104.800   3.1240 0.3714523 4.147473 
1 1 1    6   32  -24 o  154.678   2.5884  6965.41  227.762  7175.76  356.402  6820.21  296.119  156.488   3.9434  152.869   3.3540 3.618881 5.176861 
1 1 1    6   33  -24 o   12.616   6.3090 -642.3348  143.607 -495.6549  191.655 -830.1204  216.854   12.616   6.3090  ?   ?       ?      ? 
1 1 1    6   34  -24 o   50.375   4.7367  815.260  127.448  1015.05  173.400  580.517  187.956   58.243   5.1549   42.508   7.9482 15.73461 9.473482 
1 1 1    6   35  -24 o   73.836   4.3738  1635.57  178.083  1789.41  305.336  1556.26  219.233   75.840   6.9710   71.832   5.2844 4.007957 8.747541 
1 1 1    6   36  -24 o   76.949   2.9807  1750.47  131.530  1651.40  174.129  1882.09  200.713   74.528   4.0454   79.369   4.3787 -4.840424 5.961377 
1 1 1    6   37  -24 o   16.943   5.3198 -16.7195   93.929 -33.1519  110.926   24.917  176.572   14.347   6.4403   19.539   8.4690 -5.191319 10.63957 
1 1 1    6   38  -24 o   22.129   9.3628   84.699  206.435   0.0000   0.0000   84.699  206.435  ?   ?    22.129   9.3628      ?      ? 
1 1 1    6   39  -24 o   32.096   6.4616  387.939  130.005  260.368  218.541  457.809  161.734   27.475   10.255   36.717   7.8640 -9.241703 12.92327 
1 1 1    6   40  -24 o   30.678   7.6316  340.661  146.875  401.611  338.127  326.486  163.062   31.274   12.459   30.082   8.8163 1.191477 15.26312 
1 1 1    6   41  -24 o   36.361   8.5997  479.964  177.759  479.964  177.759   0.0000   0.0000   36.361   8.5997  ?   ?       ?      ? 
1 1 1    6    0  -25 o  120.376   2.4166  4153.81  156.491  4076.14  189.020  4323.06  279.018  118.673   2.7612  122.078   3.9669 -0.000000 0.000000 
1 1 1    6    1  -25 o  106.510   2.5374  3323.53  134.264  3204.04  268.614  3363.32  155.018  105.157   4.4229  107.863   2.4884 -2.706680 5.074857 
1 1 1    6    2  -25 o  146.039   1.8436  6148.85  154.999  5964.21  209.691  6371.25  230.135  143.634   2.5278  148.444   2.6843 -4.809921 3.687167 
1 1 1    6    3  -25 o  284.967   1.9907 23665.27  278.637 23832.61  319.585 23134.89  568.954  287.189   1.9268  282.745   3.4842 4.443390 3.981436 
1 1 1    6    4  -25 o  142.762   2.0980  5939.63  154.089  5994.72  181.137  5795.35  293.119  144.021   2.1777  141.504   3.5867 2.516663 4.196005 
1 1 1    6    5  -25 o   94.701   3.0902  2612.02  159.575  2557.69  274.031  2639.90  196.290   93.898   5.0531   95.505   3.5587 -1.606583 6.180449 
1 1 1    6    6  -25 o  125.994   2.1668  4657.70  144.727  4762.48  174.217  4424.37  259.979  128.358   2.3501  123.631   3.6410 4.726814 4.333602 
1 1 1    6    7  -25 o  294.233   1.4711 25049.86  246.800 24828.40  379.786 25211.74  324.706  293.086   2.2437  295.379   1.9034 -2.292175 2.942261 
1 1 1    6    8  -25 o   74.758   2.1374  1616.64   92.279  1618.90  129.762  1614.34  131.257   74.811   3.0033   74.704   3.0422 0.1071625 4.274900 
1 1 1    6    9  -25 o   55.173   5.5381  995.078  136.197  1071.08  155.760  748.237  280.701   60.789   4.4365   49.557   10.149 11.23245 11.07627 
1 1 1    6   10  -25 o   68.547   2.6842  1359.50  106.105  1341.70  145.673  1379.61  154.856   68.074   3.7052   69.020   3.8848 -0.9460144 5.368478 
1 1 1    6   11  -25 o  268.616   1.9788 20909.74  293.061 20726.37  493.409 21009.69  364.277  267.643   3.1920  269.589   2.3396 -1.946106 3.957630 
1 1 1    6   12  -25 o  124.351   2.1875  4471.11  157.026  4554.32  226.255  4393.79  218.106  125.464   3.1224  123.238   3.0644 2.226723 4.374911 
1 1 1    6   13  -25 o  224.826   2.0137 14600.67  243.945 14673.38  431.665 14566.55  295.689  225.173   3.3193  224.480   2.2807 0.6925659 4.027330 
1 1 1    6   14  -25 o  101.687   3.0275  2978.97  165.210  3045.42  295.748  2948.83  199.187  102.439   4.9989  100.935   3.4169 1.504028 6.055077 
1 1 1    6   15  -25 o  117.070   1.6936  3959.70  113.891  3987.58  170.440  3937.22  153.087  117.435   2.5130  116.705   2.2712 0.7301865 3.387262 
1 1 1    6   16  -25 o   42.598   4.6579  543.597  109.798  649.839  154.084  434.000  156.498   47.281   5.6427   37.915   7.4125 9.365879 9.315888 
1 1 1    6   17  -25 o  104.974   3.5188  3190.64  213.332   0.0000   0.0000  3190.64  213.332  ?   ?   104.974   3.5188      ?      ? 
1 1 1    6   18  -25 o  218.112   1.8819 13748.66  237.058 13748.66  237.058   0.0000   0.0000  218.112   1.8819  ?   ?       ?      ? 
1 1 1    6   19  -25 o   63.842   4.8214  1179.55  176.454  1109.63  233.174  1273.26  269.930   61.675   6.5461   66.010   7.0804 -4.334755 9.642823 
1 1 1    6   20  -25 o  174.739   2.2790  8883.15  220.210  8991.37  275.237  8690.67  367.075  176.293   2.7033  173.185   3.6699 3.107407 4.558073 
1 1 1    6   21  -25 o  138.736   2.4182  5600.19  190.772  5722.30  250.382  5431.20  294.553  140.588   3.0837  136.885   3.7258 3.703537 4.836418 
1 1 1    6   22  -25 o   51.711   5.0729  785.339  151.139  727.997  214.671  841.701  212.827   49.804   7.4632   53.618   6.8728 -3.813969 10.14572 
1 1 1    6   23  -25 o  110.051   2.0996  3464.71  125.137  3629.23  221.459  3387.54  151.671  111.895   3.4269  108.206   2.4270 3.688316 4.199244 
1 1 1    6   24  -25 o  232.484   1.9517 15485.44  232.400 15297.38  271.051 16007.39  451.575  229.990   2.0406  234.978   3.3275 -4.988007 3.903366 
1 1 1    6   25  -25 o   80.680   4.0738  1969.39  155.766  2022.06  177.127  1789.69  327.184   83.454   3.6749   77.905   7.2718 5.549103 8.147621 
1 1 1    6   26  -25 o   62.807   4.9023  1179.25  170.895  1105.05  278.497  1224.06  216.434   61.000   7.9051   64.614   5.7998 -3.614460 9.804514 
1 1 1    6   27  -25 o   39.600   6.5690  451.597  141.214  365.527  171.249  634.481  249.626   34.261   8.6524   44.938   9.8866 -10.67673 13.13804 
1 1 1    6   28  -25 o  104.918   2.8397  3224.16  170.995  3060.83  252.474  3362.57  232.417  102.385   4.2697  107.450   3.7452 -5.064545 5.679493 
1 1 1    6   29  -25 o   95.663   2.6896  2647.38  147.969  2394.31  198.930  2960.79  221.384   90.589   3.8022  100.737   3.8052 -10.14732 5.379241 
1 1 1    6   30  -25 o   47.462   6.6712  701.452  136.871  696.802  150.242  724.144  331.895   48.538   5.3595   46.387   12.219 2.151112 13.34236 
1 1 1    6   31  -25 o  125.172   2.1957  4549.20  156.498  4457.55  203.953  4680.43  244.048  123.738   2.8539  126.606   3.3376 -2.867332 4.391420 
1 1 1    6   32  -25 o   67.626   3.7145  1379.94  140.452  1295.84  224.786  1433.80  179.891   65.618   5.9314   69.634   4.4731 -4.015053 7.428998 
1 1 1    6   33  -25 o  133.425   2.7764  5320.55  195.208  5081.46  353.722  5425.26  234.082  130.634   4.6883  136.215   2.9755 -5.580826 5.552837 
1 1 1    6   34  -25 o   27.727   6.0410  253.559  104.513  239.379  173.530  261.630  130.921   27.212   9.2448   28.242   7.7788 -1.030571 12.08205 
1 1 1    6   35  -25 o   43.490   6.9124  643.370  163.491  720.465  276.626  601.984  202.677   44.639   10.838   42.341   8.5821 2.298035 13.82478 
1 1 1    6   36  -25 o   46.982   6.7389  737.870  164.919  699.864  195.815  830.614  305.893   46.822   7.2412   47.142   11.367 -0.3196411 13.47782 
1 1 1    6   37  -25 o   24.120   6.9899  135.460  155.707   76.562  209.827  207.642  232.286   22.006   9.3800   26.233   10.366 -4.226530 13.97987 
1 1 1    6   38  -25 o   40.657   6.2215  663.516  138.458  797.867  165.813  354.064  251.648   50.662   5.6670   30.653   11.078 20.00896 12.44297 
1 1 1    6   39  -25 o   50.251   5.1158  829.646  148.091  848.883  218.087  813.187  201.733   50.594   7.4636   49.909   6.9986 0.6842880 10.23160 
1 1 1    6   40  -25 o   36.052   7.5831  530.670  164.204  529.352  301.362  531.227  195.827   34.251   12.151   37.852   9.0754 -3.600349 15.16625 
1 1 1    6    0  -26 o  135.875   2.7995  5358.21  219.011  5205.24  314.386  5502.43  305.273  133.969   4.0718  137.781   3.8431 -0.000000 0.000000 
1 1 1    6    1  -26 o  144.425   2.3302  6033.17  183.085  6027.98  224.010  6043.62  317.745  144.381   2.6864  144.468   3.8082 -0.8720398E-01 4.660395 
1 1 1    6    2  -26 o   62.518   3.3772  1131.61  121.724  1165.06  178.499  1102.54  166.423   63.374   4.8768   61.662   4.6732 1.712399 6.754385 
1 1 1    6    3  -26 o  120.510   2.2221  4162.07  140.792  4107.23  166.934  4297.20  262.043  119.193   2.4250  121.826   3.7243 -2.632477 4.444217 
1 1 1    6    4  -26 o  187.161   1.8257 10242.53  160.018 10325.01  180.117  9933.57  348.585  189.040   1.6497  185.282   3.2575 3.758163 3.651466 
1 1 1    6    5  -26 o  261.312   1.6079 19727.85  242.456 19501.71  335.173 19976.06  351.153  259.746   2.2343  262.877   2.3129 -3.130981 3.215813 
1 1 1    6    6  -26 o  188.800   2.0154 10347.31  205.484 10202.86  360.371 10416.89  250.130  187.767   3.3231  189.833   2.2814 -2.066559 4.030893 
1 1 1    6    7  -26 o  189.028   2.0176 10352.08  209.016 10390.11  257.989 10279.42  356.570  189.582   2.3562  188.474   3.2757 1.107712 4.035125 
1 1 1    6    8  -26 o  295.012   1.9943 25151.98  339.785 25151.98  339.785   0.0000   0.0000  295.012   1.9943  ?   ?       ?      ? 
1 1 1    6    9  -26 o  189.714   2.0330 10421.79  201.176 10437.17  238.078 10383.41  376.194  190.026   2.1693  189.403   3.4391 0.6228333 4.066090 
1 1 1    6   10  -26 o   34.076   6.6396  352.822  133.186  364.651  170.781  334.459  212.776   34.610   8.5854   33.543   10.131 1.066730 13.27921 
1 1 1    6   11  -26 o  199.309   1.5329 11487.47  171.314 11504.72  217.712 11459.42  277.612  199.528   1.8893  199.090   2.4144 0.4384766 3.065700 
1 1 1    6   12  -26 o  180.568   2.2454  9344.53  212.932  9651.58  397.083  9220.60  252.270  182.554   3.7662  178.581   2.4459 3.972839 4.490756 
1 1 1    6   13  -26 o   93.997   2.3163  2560.24  124.690  2532.56  188.412  2581.80  166.322   93.530   3.4880   94.463   3.0486 -0.9332504 4.632503 
1 1 1    6   14  -26 o   93.214   3.7371  2448.94  185.272  2716.84  343.339  2338.88  220.061   96.604   6.1538   89.823   4.2420 6.780830 7.474184 
1 1 1    6   15  -26 o  236.165   1.8191 16127.84  223.914 16125.44  264.750 16133.85  419.651  236.209   1.9407  236.121   3.0773 0.8795166E-01 3.638128 
1 1 1    6   16  -26 o  162.751   1.9007  7665.07  178.089  7619.13  262.154  7704.44  242.684  162.286   2.7970  163.215   2.5745 -0.9284821 3.801480 
1 1 1    6   17  -26 o   84.827   3.1662  2046.78  143.834  1981.20  172.256  2197.81  261.399   82.699   3.6065   86.955   5.2051 -4.255463 6.332433 
1 1 1    6   18  -26 o   92.292   2.3537  2478.33  124.545  2356.98  185.029  2578.85  168.408   90.198   3.5519   94.385   3.0894 -4.186989 4.707461 
1 1 1    6   19  -26 o   75.403   4.1555  1662.58  173.891  1638.35  287.860  1676.50  218.204   74.869   6.6572   75.937   4.9753 -1.068382 8.311010 
1 1 1    6   20  -26 o  129.191   1.7382  4821.27  128.952  4893.02  193.629  4764.08  172.864  130.042   2.5781  128.340   2.3321 1.701996 3.476423 
1 1 1    6   21  -26 o  152.794   2.0502  6750.74  180.920  6750.74  180.920   0.0000   0.0000  152.794   2.0502  ?   ?       ?      ? 
1 1 1    6   22  -26 o  136.629   2.4865  5300.42  166.629  5201.96  189.833  5630.94  347.808  134.075   2.4515  139.183   4.3268 -5.108139 4.973069 
1 1 1    6   23  -26 o  181.519   1.7442  9515.57  182.296  9806.01  270.109  9272.63  247.042  184.044   2.5412  178.995   2.3897 5.049301 3.488307 
1 1 1    6   24  -26 o   60.171   3.8540  1123.78  124.933  838.267  200.699  1304.41  159.632   53.384   6.5096   66.959   4.1279 -13.57540 7.708020 
1 1 1    6   25  -26 o  213.191   1.9556 13066.72  212.378 12946.69  247.121 13405.83  415.377  211.523   2.0229  214.859   3.3474 -3.336563 3.911118 
1 1 1    6   26  -26 o   81.083   3.8638  1879.40  172.845  2105.19  298.266  1765.24  212.087   84.479   6.1132   77.687   4.7269 6.791344 7.727583 
1 1 1    6   27  -26 o  156.198   2.3780  7064.19  195.201  7016.02  231.800  7181.63  361.946  155.527   2.5806  156.868   3.9951 -1.341324 4.756051 
1 1 1    6   28  -26 o  109.898   2.3072  3459.89  142.449  3755.70  233.914  3285.51  179.591  113.483   3.5690  106.313   2.9249 7.169876 4.614391 
1 1 1    6   29  -26 o   47.989   4.4913  686.673  123.490  712.138  188.135  667.395  163.689   48.674   6.6925   47.305   5.9914 1.368942 8.982550 
1 1 1    6   30  -26 o  139.082   3.5014  5729.26  279.909  5687.97  377.392  5779.74  417.315  138.695   4.7114  139.468   5.1809 -0.7733612 7.002741 
1 1 1    6   31  -26 o   61.054   6.6763  1341.66  156.583  1409.24  171.684  1007.42  381.821   69.044   4.3055   53.063   12.639 15.98082 13.35267 
1 1 1    6   32  -26 o   15.068   5.2857 -529.9462  176.337 -333.2711  215.454 -928.9887  306.895   15.419   7.5106   14.717   7.4395 0.7018909 10.57143 
1 1 1    6   33  -26 o   54.066   6.2328  958.572  175.286  950.948  212.436  974.836  310.267   55.348   6.6457   52.785   10.546 2.563156 12.46566 
1 1 1    6   34  -26 o   70.415   4.5528  1456.48  152.608  1707.06  335.538  1391.12  171.357   72.629   7.9992   68.201   4.3504 4.427986 9.105660 
1 1 1    6   35  -26 o   47.946   5.4196  703.686  150.074   0.0000   0.0000  703.686  150.074  ?   ?    47.946   5.4196      ?      ? 
1 1 1    6   36  -26 o   33.877   7.1590  415.963  151.025  492.043  225.456  354.037  203.404   36.504   10.265   31.249   9.9821 5.254902 14.31810 
1 1 1    6   37  -26 o   62.219   4.0505  1186.92  143.212  1317.88  227.645  1101.14  184.238   64.714   6.0908   59.725   5.3412 4.989502 8.101009 
1 1 1    6   38  -26 f   47.893   6.6742  748.436  163.366  1078.18  315.450  627.586  190.971   53.155   10.647   42.630   8.0515 10.52458 13.34835 
1 1 1    6   39  -26 o   78.647   3.8333  1967.69  171.302  2109.77  229.332  1788.34  257.649   82.589   4.8079   74.704   5.9717 7.885124 7.666643 
1 1 1    6    0  -27 o  143.700   2.1585  6007.18  168.673  5884.41  290.636  6069.53  207.122  142.530   3.5356  144.870   2.4771 -0.000000 0.000000 
1 1 1    6    1  -27 o   89.934   3.3252  2489.05  142.282  2092.36  291.512  2613.10  163.019   84.825   5.9504   95.043   2.9698 -10.21818 6.650357 
1 1 1    6    2  -27 o   81.510   3.4882  1826.98  140.379  2125.02  296.200  1740.65  159.420   85.479   5.9998   77.541   3.5598 7.937790 6.976406 
1 1 1    6    3  -27 o  129.818   1.6958  4867.73  126.814  4812.58  172.783  4932.14  186.710  129.027   2.3187  130.610   2.4752 -1.583115 3.391566 
1 1 1    6    4  -27 o   60.368   4.8459  1067.74  141.282  1072.42  160.842  1051.97  295.605   60.813   4.5795   59.922   8.5416 0.8911209 9.691789 
1 1 1    6    5  -27 o  125.389   2.0057  4553.53  143.072  4582.74  187.172  4512.47  221.901  125.892   2.5743  124.887   3.0765 1.004250 4.011459 
1 1 1    6    6  -27 o  115.300   2.2106  3850.43  146.183  3880.41  195.955  3812.80  219.512  115.821   2.9295  114.779   3.3114 1.041061 4.421193 
1 1 1    6    7  -27 o  153.258   1.9813  6793.63  175.222  6796.38  242.876  6790.65  253.038  153.295   2.7433  153.220   2.8595 0.7473755E-01 3.962589 
1 1 1    6    8  -27 o  128.516   2.0606  4778.13  152.867  4768.09  219.606  4787.57  212.924  128.382   2.9618  128.651   2.8657 -0.2693481 4.121205 
1 1 1    6    9  -27 o  202.641   2.0449 11895.79  230.309 11815.55  380.978 11942.00  289.118  202.053   3.2648  203.229   2.4632 -1.175781 4.089755 
1 1 1    6   10  -27 o  123.159   2.2990  4388.44  163.146  4367.43  222.968  4412.64  239.347  122.851   3.1425  123.467   3.3565 -0.6159286 4.598032 
1 1 1    6   11  -27 o  272.623   1.6845 21485.20  265.184 21693.68  379.070 21285.38  371.112  273.915   2.3962  271.330   2.3682 2.585938 3.368989 
1 1 1    6   12  -27 o   29.995   7.1992  242.076  148.783  300.302  223.242  195.546  199.564   32.295   10.473   27.694   9.8815 4.600370 14.39849 
1 1 1    6   13  -27 o   46.380   5.7957  642.611  151.374  705.784  213.909  579.242  214.241   49.114   7.5411   43.645   8.8030 5.468834 11.59144 
1 1 1    6   14  -27 o  203.185   1.6586 11938.13  194.578 11914.65  278.440 11960.54  272.024  202.986   2.3751  203.384   2.3158 -0.3973236 3.317235 
1 1 1    6   15  -27 o  165.998   2.2088  7980.70  210.007  8006.77  279.827  7947.06  317.766  166.335   2.9129  165.661   3.3213 0.6746826 4.417635 
1 1 1    6   16  -27 o  174.732   1.6967  8833.80  169.067  8853.48  222.309  8806.81  260.371  174.984   2.1997  174.480   2.5838 0.5045319 3.393373 
1 1 1    6   17  -27 o  156.676   2.0526  7151.35  167.224  6999.75  312.843  7211.98  197.863  155.423   3.4852  157.928   2.1693 -2.504791 4.105155 
1 1 1    6   18  -27 o  187.997   2.1855 10302.03  194.981 10118.91  418.308 10352.86  220.386  186.767   3.8780  189.228   2.0166 -2.460800 4.371008 
1 1 1    6   19  -27 o   47.114   8.3970  692.729  228.880  611.677  316.083  782.075  331.863   44.239   12.046   49.989   11.702 -5.749924 16.79404 
1 1 1    6   20  -27 o  102.466   2.4028  3037.71  141.001  2994.04  187.035  3095.20  214.607  101.640   3.1862  103.292   3.5974 -1.651558 4.805558 
1 1 1    6   21  -27 o  169.066   1.5257  8275.13  148.753  8150.82  215.458  8388.35  205.623  167.843   2.2227  170.290   2.0907 -2.447052 3.051466 
1 1 1    6   22  -27 o   93.599   3.3786  2513.13  160.107  2643.08  317.712  2468.90  185.364   94.977   5.7920   92.220   3.4803 2.756157 6.757224 
1 1 1    6   23  -27 o   24.466   6.4448  136.438  126.747  209.912  164.661   29.603  198.555   27.021   9.0057   21.911   9.2216 5.109411 12.88956 
1 1 1    6   24  -27 o   67.177   4.9447  1374.96  180.280  1223.39  302.996  1458.03  224.304   63.894   8.2109   70.460   5.5120 -6.566063 9.889467 
1 1 1    6   25  -27 o   46.791   5.6627  562.842  123.534  876.078  285.400  490.626  137.036   52.804   9.7164   40.778   5.8186 12.02596 11.32539 
1 1 1    6   26  -27 o  174.866   1.5227  8861.83  153.521  8834.32  223.591  8886.38  211.164  174.591   2.2174  175.140   2.0876 -0.5496521 3.045494 
1 1 1    6   27  -27 o   42.304   6.4530  560.725  151.786  658.490  234.969  490.713  198.840   45.417   9.2716   39.190   8.9778 6.226723 12.90593 
1 1 1    6   28  -27 o   88.727   2.2625  2299.49  115.760  2231.73  166.802  2362.44  160.782   87.435   3.3032   90.019   3.0926 -2.584000 4.524930 
1 1 1    6   29  -27 o   84.865   3.7209  2016.77  131.474  1960.97  142.197  2345.42  345.098   81.971   3.0036   87.758   6.8088 -5.786621 7.441873 
1 1 1    6   30  -27 o   18.345   5.5555 -13.6151  108.447 -101.2821  145.903   94.607  162.107   15.162   7.0225   21.528   8.6103 -6.366255 11.11095 
1 1 1    6   31  -27 o   52.795   5.0916  871.797  154.098  881.013  206.857  860.305  230.991   53.371   6.7109   52.219   7.6592 1.152504 10.18326 
1 1 1    6   32  -27 o   44.029   5.8049  597.707  141.139  816.016  235.518  475.373  176.304   50.311   8.1055   37.747   8.3119 12.56329 11.60974 
1 1 1    6   33  -27 o   32.204   7.7520  373.557  173.046  416.919  248.126  332.494  241.459   33.697   11.047   30.712   10.879 2.985065 15.50401 
1 1 1    6   34  -27 o   29.260   7.5444  308.066  175.360  395.177  199.193   7.9787  369.711   33.214   9.7471   25.306   11.518 7.908325 15.08885 
1 1 1    6   35  -27 o   27.616   9.2353  264.948  173.146   0.0000   0.0000  264.948  173.146  ?   ?    27.616   9.2353      ?      ? 
1 1 1    6   36  -27 o   20.618   6.3466   28.700  148.865 -169.1213  252.013  134.719  184.492   18.604   8.8097   22.633   9.1383 -4.028545 12.69323 
1 1 1    6   37  -27 o   28.229   7.1896  295.988  153.880  208.415  222.726  375.966  212.849   25.307   10.103   31.151   10.232 -5.844133 14.37921 
1 1 1    6   38  -27 o   57.415   4.9959  1102.83  163.562  1299.03  233.980  915.335  228.731   63.101   6.4203   51.730   7.6560 11.37137 9.991748 
1 1 1    6    0  -28 o  287.340   2.3415 23872.45  388.218 23690.06  538.730 24069.47  559.929  286.205   3.2601  288.474   3.3618 -0.000000 0.000000 
1 1 1    6    1  -28 o   35.440   6.7312  379.147  141.477  316.293  194.720  449.428  205.905   32.535   9.6609   38.346   9.3758 -5.810101 13.46247 
1 1 1    6    2  -28 o  223.758   1.8684 14432.26  209.393 14384.77  241.777 14574.78  418.839  223.106   1.8764  224.409   3.2316 -1.303497 3.736867 
1 1 1    6    3  -28 o   14.423   4.8678 -221.8323  114.413 -296.4849  167.924 -157.1513  156.307   13.675   6.6544   15.170   7.1065 -1.494788 9.735672 
1 1 1    6    4  -28 o  150.723   2.2460  6501.13  165.768  6713.08  344.611  6437.32  189.081  152.218   3.9199  149.228   2.1939 2.989929 4.492097 
1 1 1    6    5  -28 o  143.875   2.4207  5994.24  193.911  5998.01  243.810  5987.74  319.897  143.986   2.9319  143.765   3.8528 0.2208862 4.841453 
1 1 1    6    6  -28 o  150.234   2.1961  6682.93  161.332  6822.66  185.361  6246.36  327.644  153.635   2.0890  146.832   3.8636 6.802597 4.392224 
1 1 1    6    7  -28 o  153.530   2.0706  6807.86  176.823  6775.51  221.734  6864.38  293.057  153.069   2.5082  153.991   3.2951 -0.9217377 4.141123 
1 1 1    6    8  -28 o   77.435   2.9830  1729.91  131.569  1789.78  205.235  1688.14  171.429   78.543   4.5244   76.327   3.8889 2.216209 5.966014 
1 1 1    6    9  -28 o   27.813   6.7169  212.037  127.842  229.902  161.475  182.033  209.270   28.130   8.8843   27.497   10.077 0.6323986 13.43383 
1 1 1    6   10  -28 o  197.684   2.1585 11404.64  228.696 11054.41  404.928 11568.69  277.127  195.352   3.5890  200.015   2.3990 -4.663757 4.316971 
1 1 1    6   11  -28 o   83.500   4.3227  2102.40  182.190  1884.66  348.434  2184.32  213.736   80.224   7.5202   86.776   4.2647 -6.552254 8.645354 
1 1 1    6   12  -28 o  201.358   2.4826 11727.00  288.716 11727.00  288.716   0.0000   0.0000  201.358   2.4826  ?   ?       ?      ? 
1 1 1    6   13  -28 o   86.142   3.1835  2163.90  157.044  2075.60  235.214  2234.92  210.949   84.515   4.8188   87.769   4.1615 -3.253296 6.367054 
1 1 1    6   14  -28 o  138.790   1.9530  5515.54  150.627  5788.43  252.533  5364.85  187.666  141.388   3.0926  136.192   2.3859 5.196823 3.905940 
1 1 1    6   15  -28 o  108.563   2.2815  3428.90  140.650  3329.77  218.215  3499.35  183.960  107.182   3.5252  109.943   2.8971 -2.761627 4.562915 
1 1 1    6   16  -28 o   27.215   6.4396  164.988  138.296  362.334  190.657 -54.1415  200.904   34.377   9.3537   20.054   8.8535 14.32283 12.87925 
1 1 1    6   17  -28 o  200.298   2.2677 11682.88  246.934 11457.07  426.741 11796.55  302.773  198.715   3.7183  201.882   2.5968 -3.166962 4.535331 
1 1 1    6   18  -28 o  136.428   2.0479  5385.12  161.168  5268.16  221.644  5516.34  234.775  134.865   2.8456  137.990   2.9459 -3.125275 4.095816 
1 1 1    6   19  -28 o  137.060   2.0080  5406.55  156.262  5254.14  201.887  5634.29  246.789  134.704   2.5950  139.417   3.0650 -4.712845 4.015988 
1 1 1    6   20  -28 o   80.731   3.0340  1933.44  134.584  1775.13  223.294  2023.76  168.662   77.976   4.9583   83.486   3.4980 -5.510429 6.067993 
1 1 1    6   21  -28 o   16.555   5.3479 -102.6151  114.415 -71.0143  161.470 -134.4811  162.146   17.233   7.7500   15.878   7.3714 1.355397 10.69579 
1 1 1    6   22  -28 o   15.931   5.6311 -642.2188  185.098 -721.2584  229.467 -494.9955  313.174   12.984   6.5477   18.878   9.1633 -5.893778 11.26226 
1 1 1    6   23  -28 o   95.030   2.7654  2696.11  145.363  2393.86  235.131  2883.10  184.940   90.467   4.5002   99.593   3.2153 -9.125885 5.530839 
1 1 1    6   24  -28 o   54.821   5.0582  892.463  158.417  850.663  207.344  951.082  245.540   53.407   6.7222   56.235   7.5601 -2.828423 10.11650 
1 1 1    6   25  -28 o   51.442   4.8064  778.841  142.797  778.841  142.797   0.0000   0.0000   51.442   4.8064  ?   ?       ?      ? 
1 1 1    6   26  -28 o   24.403   5.9935  120.862  111.548  308.132  177.289  -1.8549  143.516   31.061   9.2173   17.746   7.6635 13.31511 11.98695 
1 1 1    6   27  -28 f   47.360   4.5925  679.857  123.053  687.097  159.564  669.233  193.294   47.897   5.7683   46.823   7.1479 1.074005 9.185054 
1 1 1    6   28  -28 o   12.471   4.4528 -428.2290  119.337 -486.0032  228.645 -406.5984  139.904   14.559   7.2160   10.382   5.2193 4.177802 8.905666 
1 1 1    6   29  -28 o   32.385   8.3352  348.198  208.500  215.262  319.128  447.203  275.407   29.218   11.937   35.553   11.637 -6.335114 16.67049 
1 1 1    6   30  -28 f   40.075   6.3615  559.443  146.006  661.953  190.325  412.838  227.609   45.933   7.1744   34.217   10.507 11.71554 12.72306 
1 1 1    6   31  -28 o   52.126   4.2348  828.436  126.724  718.458  170.571  963.921  189.320   48.230   6.1236   56.023   5.8512 -7.793404 8.469630 
1 1 1    6   32  -28 o   56.506   4.9597  991.753  158.690  909.391  202.292  1123.53  255.877   53.879   6.5009   59.133   7.4923 -5.254456 9.919496 
1 1 1    6   33  -28 o   41.057   5.8685  610.029  126.165  687.347  153.352  448.078  221.943   47.213   5.6239   34.901   10.302 12.31245 11.73704 
1 1 1    6   34  -28 o   90.250   3.1842  2472.82  162.509  2516.45  210.955  2409.13  254.869   91.674   3.9844   88.825   4.9682 2.848991 6.368499 
1 1 1    6   35  -28 o   30.684   8.6076  335.108  158.734   0.0000   0.0000  335.108  158.734  ?   ?    30.684   8.6076      ?      ? 
1 1 1    6   36  -28 o   16.102   7.7824 -237.9742  219.768   0.0000   0.0000 -237.9742  219.768  ?   ?    16.102   7.7824      ?      ? 
1 1 1    6    0  -29 o   17.037   8.0377 -250.9863  199.528 -456.0092  243.750  165.395  347.368   10.651   7.6928   23.422   14.115 -0.000000 0.000000 
1 1 1    6    1  -29 o  246.423   2.1008 17621.45  284.086 17730.63  351.383 17415.42  482.708  247.611   2.4571  245.236   3.4081 2.374847 4.201509 
1 1 1    6    2  -29 o   41.552   7.3049  575.671  160.700  345.942  344.042  639.780  181.745   36.290   12.972   46.815   6.7219 -10.52481 14.60980 
1 1 1    6    3  -29 o  106.508   2.2694  3302.24  133.945  3350.21  167.970  3218.45  221.980  107.615   2.7025  105.401   3.6466 2.214066 4.538844 
1 1 1    6    4  -29 o  161.369   2.1704  7449.25  161.949  7684.29  364.333  7391.38  180.793  162.826   3.8743  159.912   1.9576 2.914520 4.340724 
1 1 1    6    5  -29 o  174.047   1.6728  8751.02  163.897  8798.79  263.373  8720.83  209.379  174.407   2.6147  173.686   2.0873 0.7207947 3.345660 
1 1 1    6    6  -29 f   52.995   5.7666  892.995  160.344  627.619  251.040  1075.86  208.391   45.223   9.8873   60.767   5.9378 -15.54333 11.53326 
1 1 1    6    7  -29 o   74.243   4.1319  1669.81  156.494  1465.76  292.668  1751.52  185.194   70.776   7.1599   77.709   4.1264 -6.933342 8.263811 
1 1 1    6    8  -29 o   79.109   3.6948  1813.79  168.813  1813.79  168.813   0.0000   0.0000   79.109   3.6948  ?   ?       ?      ? 
1 1 1    6    9  -29 o   80.316   3.0444  1870.02  140.405  1892.77  210.725  1851.86  188.288   80.734   4.5193   79.898   4.0804 0.8361664 6.088834 
1 1 1    6   10  -29 o  115.493   2.9185  3836.43  181.242  3963.81  324.024  3778.43  218.645  116.777   4.8043  114.209   3.3148 2.568138 5.836904 
1 1 1    6   11  -29 o  187.418   1.6950 10149.15  178.118 10207.67  289.289 10113.42  226.045  187.814   2.6670  187.021   2.0928 0.7934875 3.390037 
1 1 1    6   12  -29 o   74.905   3.8739  1627.76  167.587  1627.76  167.587   0.0000   0.0000   74.905   3.8739  ?   ?       ?      ? 
1 1 1    6   13  -29 o  126.630   2.5922  4640.65  189.581   0.0000   0.0000  4640.65  189.581  ?   ?   126.630   2.5922      ?      ? 
1 1 1    6   14  -29 o  166.983   2.2364  7963.22  184.601  8306.34  379.354  7856.76  211.307  169.160   3.8830  164.806   2.2200 4.353317 4.472788 
1 1 1    6   15  -29 o   97.881   3.0270  2776.00  171.120   0.0000   0.0000  2776.00  171.120  ?   ?    97.881   3.0270      ?      ? 
1 1 1    6   16  -29 o  153.431   2.0680  6807.42  183.064  7153.79  266.159  6496.45  252.189  157.126   2.9330  149.736   2.9162 7.390015 4.135982 
1 1 1    6   17  -29 o   90.262   3.6733  2366.42  191.489  2366.42  191.489   0.0000   0.0000   90.262   3.6733  ?   ?       ?      ? 
1 1 1    6   18  -29 o   18.517   6.0485 -142.1510  142.315 -140.1954  246.251 -143.1318  174.387   20.542   9.3693   16.492   7.6522 4.050200 12.09708 
1 1 1    6   19  -29 o  100.414   3.3580  2928.90  194.743   0.0000   0.0000  2928.90  194.743  ?   ?   100.414   3.3580      ?      ? 
1 1 1    6   20  -29 o  107.762   2.8148  3389.55  174.834  3486.58  241.990  3283.59  252.873  109.415   3.8295  106.109   4.1263 3.305206 5.629503 
1 1 1    6   21  -29 o   85.150   4.3510  2139.96  207.300  2167.94  338.493  2123.18  262.229   85.342   6.8676   84.958   5.3443 0.3837128 8.702015 
1 1 1    6   22  -29 o   87.299   2.8746  2231.44  142.081  2207.14  223.502  2247.92  184.059   86.793   4.4587   87.805   3.6295 -1.011772 5.749252 
1 1 1    6   23  -29 o   68.563   4.2394  1377.81  167.871  1377.81  167.871   0.0000   0.0000   68.563   4.2394  ?   ?       ?      ? 
1 1 1    6   24  -29 o   81.786   3.6287  1950.03  156.905  1906.27  186.617  2055.60  289.830   80.634   4.0073   82.937   6.0508 -2.303146 7.257389 
1 1 1    6   25  -29 o  131.529   1.6691  5031.98  124.141  4997.03  196.276  5055.28  160.270  131.065   2.5930  131.992   2.1024 -0.9269257 3.338204 
1 1 1    6   26  -29 o  113.577   2.6051  3794.62  170.269  3714.26  250.059  3864.09  232.492  112.364   3.8533  114.789   3.5069 -2.425316 5.210181 
1 1 1    6   27  -29 o   30.614   7.8492  286.169  159.539  277.735  181.059  315.458  337.401   29.136   9.4296   32.093   12.551 -2.956841 15.69834 
1 1 1    6   28  -29 o   64.047   3.5312  1229.63  129.716  1256.20  196.043  1208.93  173.002   64.525   5.2606   63.569   4.7121 0.9553947 7.062466 
1 1 1    6   29  -29 o   21.276   6.1291   89.752  118.649  108.000  170.587   72.651  165.137   21.957   8.8147   20.594   8.5185 1.363081 12.25816 
1 1 1    6   30  -29 o  110.870   2.3542  3609.95  149.983  3473.28  200.738  3782.66  225.658  108.594   3.2006  113.147   3.4532 -4.552071 4.708369 
1 1 1    6   31  -29 o   43.456   5.6032  606.205  136.203  519.936  175.908  735.349  215.227   39.388   8.0057   47.523   7.8416 -8.135242 11.20637 
1 1 1    6   32  -29 o   37.413   5.7818  482.290  122.408  409.940  189.343  534.243  160.446   33.858   9.3667   40.968   6.7812 -7.109119 11.56369 
1 1 1    6   33  -29 o   24.383   7.1043  156.415  155.847  159.145  268.228  155.023  191.485   25.258   10.679   23.508   9.3728 1.749914 14.20858 
1 1 1    6   34  -29 o   33.891   6.7015  430.844  140.239  323.646  201.616  531.324  195.196   29.374   9.9650   38.407   8.9634 -9.032799 13.40306 
1 1 1    6   35  -29 o   22.019   6.2716  114.791  132.312 -29.9395  194.992  238.294  180.126   18.325   8.3501   25.712   9.3598 -7.387285 12.54315 
1 1 1    6    0  -30 o  146.452   2.7263  6173.31  229.362  5658.19  308.770  6807.48  342.596  139.676   3.8342  153.228   3.8769 -0.000000 0.000000 
1 1 1    6    1  -30 o   54.932   5.7653  1017.78  132.743  1092.92  148.923  727.269  292.827   61.366   4.2019   48.499   10.738 12.86694 11.53065 
1 1 1    6    2  -30 o   37.159   6.1749  386.615  126.603  289.979  155.451  576.973  218.179   30.882   8.4641   43.437   8.9931 -12.55552 12.34977 
1 1 1    6    3  -30 o   71.287   3.4197  1545.18  128.405  1661.68  156.318  1303.50  225.149   75.717   3.5746   66.858   5.8309 8.859489 6.839363 
1 1 1    6    4  -30 o   24.221   7.3007   37.820  159.889 -93.0020  337.503   75.677  181.556   25.775   11.422   22.666   9.0956 3.109842 14.60137 
1 1 1    6    5  -30 f   89.234   2.7812  2275.15  137.921  2436.34  232.165  2187.24  171.454   91.590   4.3890   86.879   3.4170 4.710464 5.562311 
1 1 1    6    6  -30 o   81.328   3.0361  1837.92  134.664  1686.07  162.483  2171.05  240.659   76.254   3.6895   86.402   4.8228 -10.14797 6.072154 
1 1 1    6    7  -30 o   65.114   4.8287  1278.49  152.170  1174.54  311.262  1311.14  174.437   63.058   8.5467   67.170   4.4965 -4.111584 9.657346 
1 1 1    6    8  -30 o   47.142   6.5916  601.553  169.461  440.696  205.199  946.555  300.515   37.800   9.4303   56.483   9.2122 -18.68301 13.18312 
1 1 1    6    9  -30 o  114.770   2.2010  3787.31  141.148  3705.39  177.439  3928.47  232.920  113.137   2.7156  116.402   3.4646 -3.265755 4.402060 
1 1 1    6   10  -30 o  128.220   2.5392  4802.11  157.893  4707.41  328.360  4830.59  180.078  127.234   4.4685  129.206   2.4132 -1.971313 5.078483 
1 1 1    6   11  -30 o   62.139   3.9240  1124.68  140.540  1029.80  193.862  1229.78  204.034   59.370   5.6538   64.907   5.4429 -5.536545 7.847919 
1 1 1    6   12  -30 o   51.838   6.9098  849.061  188.160  907.469  230.505  732.416  325.743   55.506   7.1904   48.170   11.802 7.336090 13.81958 
1 1 1    6   13  -30 o  116.270   3.0553  3873.40  191.159  4099.89  343.111  3771.45  230.194  118.544   5.0115  113.996   3.4964 4.548172 6.110661 
1 1 1    6   14  -30 o  118.266   2.2566  4056.31  154.100  4020.77  215.379  4093.58  220.576  117.739   3.1674  118.793   3.2150 -1.053314 4.513143 
1 1 1    6   15  -30 o  105.920   3.2221  3286.99  191.148  3336.73  243.445  3207.03  308.667  107.101   3.9357  104.739   5.1027 2.361862 6.444145 
1 1 1    6   16  -30 o   50.198   6.5701  864.197  162.367  981.960  193.029  579.297  300.237   57.816   5.7808   42.580   11.800 15.23606 13.14030 
1 1 1    6   17  -30 o   97.049   3.2016  2685.99  160.534  2898.74  310.371  2608.29  187.574   99.373   5.4079   94.725   3.4287 4.648384 6.403202 
1 1 1    6   18  -30 o  155.292   1.7648  6987.08  158.165  7085.55  228.802  6896.96  218.886  156.330   2.5341  154.254   2.4569 2.076111 3.529656 
1 1 1    6   19  -30 o  113.452   2.3987  3743.25  156.021  3720.47  208.159  3772.47  235.689  113.111   3.1864  113.793   3.5862 -0.6822205 4.797331 
1 1 1    6   20  -30 o  109.781   3.3604  3665.24  167.101  3336.32  372.569  3748.07  186.960  105.988   6.0864  113.573   2.8503 -7.584457 6.720785 
1 1 1    6   21  -30 o  113.651   2.4638  3786.38  158.410  3679.57  248.621  3859.38  205.531  112.170   3.8377  115.132   3.0910 -2.962036 4.927695 
1 1 1    6   22  -30 o   79.272   3.3530  1866.65  141.467  1887.02  170.505  1821.66  253.423   80.310   3.6761   78.235   5.6087 2.075325 6.706049 
1 1 1    6   23  -30 o  139.816   2.3446  5727.58  188.506  5882.90  257.089  5546.97  277.222  141.960   3.1357  137.672   3.4866 4.287933 4.689208 
1 1 1    6   24  -30 o   47.672   4.5165  690.740  124.044  634.845  174.865  747.355  175.989   45.637   6.6345   49.707   6.1303 -4.070782 9.033077 
1 1 1    6   25  -30 o   79.743   2.7502  1807.65  121.399  1652.15  148.977  2114.99  209.447   75.009   3.4389   84.478   4.2929 -9.468422 5.500415 
1 1 1    6   26  -30 o   31.143   7.4772  272.785  143.320  202.700  164.785  490.459  290.406   25.588   8.9949   36.698   11.947 -11.10967 14.95449 
1 1 1    6   27  -30 f   96.487   2.2841  2742.00  126.991  2814.95  175.300  2661.45  184.217   97.908   3.1001   95.066   3.3552 2.842209 4.568163 
1 1 1    6   28  -30 o   17.255   5.6055 -84.7276  124.587 -42.8717  197.522 -112.3820  160.553   18.919   8.5340   15.591   7.2703 3.328274 11.21097 
1 1 1    6   29  -30 o  118.467   2.8429  4071.19  161.858  3980.14  182.942  4399.32  347.286  116.527   2.7183  120.408   4.9940 -3.880539 5.685886 
1 1 1    6   30  -30 o   62.977   3.6407  1179.69  129.370  1072.70  163.520  1358.73  211.525   59.509   4.7578   66.446   5.5120 -6.936924 7.281409 
1 1 1    6   31  -30 o   93.539   3.5330  2673.79  190.423  2676.33  260.897  2670.90  278.567   93.767   4.8176   93.310   5.1691 0.4565353 7.066056 
1 1 1    6   32  -30 f   70.497   3.3634  1517.15  136.914  1482.15  191.339  1553.86  195.997   69.666   4.7555   71.329   4.7577 -1.663757 6.726862 
1 1 1    6   33  -30 o   30.065   6.7668  340.264  131.611  339.258  202.495  340.999  173.177   29.779   9.9872   30.352   9.1332 -0.5727882 13.53368 
1 1 1    6   34  -30 o   49.516   4.9844  820.304  141.963  801.633  208.075  836.564  194.177   48.638   7.4073   50.395   6.6716 -1.756474 9.968837 
1 1 1    6    0  -31 o   49.322   6.3882  741.680  173.555  741.680  173.555   0.0000   0.0000   49.322   6.3882   49.322   6.3882 -0.000000 0.000000 
1 1 1    6    1  -31 o  101.832   3.0690  2916.75  157.347  3215.53  318.553  2820.33  180.964  105.013   5.2523   98.651   3.1762 6.362648 6.138007 
1 1 1    6    2  -31 o   25.477   7.2642   7.1912  145.364 -73.5948  164.916  288.572  307.781   17.465   7.8453   33.488   12.228 -16.02312 14.52845 
1 1 1    6    3  -31 o   59.459   3.6231  1047.65  119.439  965.706  194.449  1097.31  151.358   57.476   5.8579   61.443   4.2653 -3.967247 7.246188 
1 1 1    6    4  -31 o   40.235   7.8192  458.786  184.549  702.957  311.180  326.311  229.209   47.310   11.501   33.161   10.597 14.14844 15.63834 
1 1 1    6    5  -31 o  122.048   2.8878  4311.89  189.795  4373.57  336.819  4283.20  229.742  122.550   4.7588  121.546   3.2728 1.004150 5.775565 
1 1 1    6    6  -31 o   95.765   2.8345  2667.53  154.315  2681.57  201.536  2647.64  239.916   96.122   3.6303   95.407   4.3540 0.7149506 5.668922 
1 1 1    6    7  -31 o   12.800   6.2527 -281.9832  152.368 -281.9832  152.368   0.0000   0.0000   12.800   6.2527  ?   ?       ?      ? 
1 1 1    6    8  -31 o   63.941   4.0702  1196.33  148.443  1198.79  228.639  1194.54  195.171   63.931   6.1923   63.952   5.2841 -0.2116013E-01 8.140463 
1 1 1    6    9  -31 o   67.452   4.4961  1325.20  175.154   0.0000   0.0000  1325.20  175.154  ?   ?    67.452   4.4961      ?      ? 
1 1 1    6   10  -31 o   25.766   6.5073  152.993  133.288  -1.8688  198.977  279.047  179.518   21.128   9.0730   30.404   9.3307 -9.276794 13.01463 
1 1 1    6   11  -31 o   84.940   4.2123  2125.44  154.133  2107.25  374.635  2129.15  169.109   84.249   7.6994   85.630   3.4194 -1.380775 8.424576 
1 1 1    6   12  -31 o   68.127   3.9397  1371.72  145.278  1330.39  252.095  1392.27  177.764   67.163   6.4990   69.091   4.4549 -1.927582 7.879312 
1 1 1    6   13  -31 o   57.241   4.3511  963.669  142.591  951.708  189.105  979.432  217.087   56.902   5.7543   57.580   6.5280 -0.6778755 8.702107 
1 1 1    6   14  -31 o   67.663   5.5379  1352.77  191.705  1333.72  223.762  1405.33  371.698   67.314   5.7556   68.011   9.4630 -0.6965714 11.07587 
1 1 1    6   15  -31 o   42.077   5.5161  542.379  129.836  516.412  195.658  562.810  173.555   40.656   8.6012   43.498   6.9085 -2.841930 11.03212 
1 1 1    6   16  -31 o  165.436   1.5955  7922.35  152.175  8070.56  222.834  7792.84  208.314  166.870   2.3122  164.002   2.1993 2.867645 3.191084 
1 1 1    6   17  -31 o   92.473   3.6851  2494.67  196.812  2494.67  196.812   0.0000   0.0000   92.473   3.6851  ?   ?       ?      ? 
1 1 1    6   18  -31 o   19.593   5.9974  -5.0671  125.169 -58.4152  193.189   33.530  164.323   19.146   8.5533   20.040   8.4092 -0.8940353 11.99472 
1 1 1    6   19  -31 o   50.739   4.7062  771.420  137.561  741.556  186.742  806.852  203.407   49.714   6.5040   51.764   6.8038 -2.050869 9.412416 
1 1 1    6   20  -31 o   75.909   3.4206  1705.32  149.778  1675.03  216.007  1733.36  207.864   75.209   4.9730   76.609   4.6980 -1.400574 6.841145 
1 1 1    6   21  -31 f   36.883   6.9163  477.272  137.518  317.276  313.550  515.379  153.020   32.493   12.253   41.273   6.4195 -8.779472 13.83260 
1 1 1    6   22  -31 o  116.669   2.0682  3973.77  139.340  4016.03  198.924  3933.06  195.240  117.273   2.9370  116.065   2.9126 1.207092 4.136334 
1 1 1    6   23  -31 f   89.651   4.2868  2550.18  189.319  2223.32  368.680  2667.23  220.629   84.306   7.5720   94.997   4.0213 -10.69193 8.573519 
1 1 1    6   24  -31 o   83.212   2.8548  2050.57  135.372  2043.73  177.555  2060.07  209.203   83.219   3.6942   83.205   4.3534 0.1413727E-01 5.709616 
1 1 1    6   25  -31 o   49.174   4.7234  722.598  123.984  675.364  147.514  836.253  228.822   47.161   5.4159   51.187   7.7402 -4.026413 9.446813 
1 1 1    6   26  -31 o   29.580   6.7826  303.237  139.570  396.758  185.027  179.770  212.596   33.807   9.2212   25.353   9.9491 8.453518 13.56523 
1 1 1    6   27  -31 o   46.095   7.1420  654.790  156.982  951.151  353.266  581.869  175.235   49.422   12.398   42.768   7.0944 6.653366 14.28400 
1 1 1    6   28  -31 o   66.020   5.4769  1375.21  172.999  1340.49  196.063  1497.28  367.639   66.305   5.1200   65.735   9.6837 0.5697098 10.95387 
1 1 1    6   29  -31 o   39.902   6.3222  554.113  137.512  545.269  171.295  570.142  230.617   40.417   7.6176   39.387   10.092 1.030048 12.64441 
1 1 1    6   30  -31 o   83.271   4.3167  2094.55  207.600   0.0000   0.0000  2094.55  207.600  ?   ?    83.271   4.3167      ?      ? 
1 1 1    6   31  -31 o  113.807   3.1230  3939.18  204.538  3956.41  278.416  3918.98  301.479  114.330   4.2165  113.284   4.6079 1.046570 6.245908 
1 1 1    6   32  -31 o   39.725   6.2998  574.482  140.530  541.328  189.842  614.671  209.018   38.601   8.7210   40.848   9.0937 -2.246700 12.59964 
1 1 1    6    0  -32 o  216.743   2.4512 13613.50  306.634 13404.57  433.007 13823.67  434.288  215.068   3.4881  218.417   3.4447 -0.000000 0.000000 
1 1 1    6    1  -32 f   32.659   7.1266  324.188  147.773  314.901  216.300  332.317  202.360   32.377   10.289   32.941   9.8640 -0.5632706 14.25315 
1 1 1    6    2  -32 o  207.930   1.7443 12520.58  209.147 12529.67  287.981 12510.43  304.245  208.026   2.3970  207.834   2.5347 0.1922150 3.488556 
1 1 1    6    3  -32 o   17.474   5.9938 -219.1720  140.208 -156.7977  152.877 -549.4028  351.761   14.844   6.9775   20.104   9.7476 -5.259945 11.98758 
1 1 1    6    4  -32 o  117.017   2.1451  3972.05  143.312  3975.50  188.994  3967.38  219.829  117.115   2.7942  116.918   3.2555 0.1969986 4.290180 
1 1 1    6    5  -32 o   97.232   3.2061  2669.93  169.383  2512.46  204.455  3014.51  302.444   92.948   3.8087  101.515   5.1586 -8.566765 6.412238 
1 1 1    6    6  -32 o  102.213   3.1978  3131.00  168.846  3243.25  200.554  2857.79  312.892  105.690   3.2856   98.735   5.4870 6.955338 6.395500 
1 1 1    6    7  -32 o  109.461   2.1861  3469.62  136.026  3434.80  176.935  3519.96  212.708  108.837   2.8148  110.085   3.3456 -1.247490 4.372203 
1 1 1    6    8  -32 o  200.102   1.6942 11628.78  188.421 11487.07  311.197 11710.80  236.749  199.051   2.7070  201.153   2.0379 -2.101776 3.388314 
1 1 1    6    9  -32 o   50.192   5.3187  741.269  149.981  710.672  189.554  792.492  245.259   48.987   6.6999   51.398   8.2622 -2.410866 10.63731 
1 1 1    6   10  -32 o   90.946   2.9940  2364.38  147.657  2274.36  178.633  2558.57  262.363   88.423   3.4979   93.468   4.8602 -5.045685 5.988067 
1 1 1    6   11  -32 o   75.421   3.5115  1612.27  146.731  1865.67  252.249  1482.68  180.390   79.620   5.4855   71.221   4.3855 8.399666 7.023098 
1 1 1    6   12  -32 o  101.723   2.8694  3004.74  168.575   0.0000   0.0000  3004.74  168.575  ?   ?   101.723   2.8694      ?      ? 
1 1 1    6   13  -32 o   44.547   6.1634  621.866  154.558  513.541  222.431  722.998  214.919   40.074   9.7121   49.021   7.5911 -8.947491 12.32681 
1 1 1    6   14  -32 o  108.595   2.6245  3383.09  146.199  3315.31  170.423  3571.96  284.497  106.829   2.7622  110.360   4.4636 -3.530861 5.249084 
1 1 1    6   15  -32 o   29.487   7.5996  183.254  161.680   80.012  193.822  419.440  293.159   22.815   9.3094   36.159   12.015 -13.34411 15.19930 
1 1 1    6   16  -32 o   69.737   3.3492  1444.90  132.742  1362.83  203.324  1505.87  175.243   67.855   5.1882   71.619   4.2367 -3.763550 6.698309 
1 1 1    6   17  -32 o   33.555   5.3245  351.326  104.460  474.581  150.203  235.870  145.373   39.680   6.5542   27.429   8.3931 12.25149 10.64899 
1 1 1    6   18  -32 f  100.113   3.8944  3010.07  165.040  3019.10  180.534  2964.16  407.197  101.710   3.0733   98.516   7.1567 3.194603 7.788704 
1 1 1    6   19  -32 o   22.853   6.3202   76.819  133.229  234.246  186.688 -86.5701  190.190   27.616   9.5815   18.091   8.2446 9.525093 12.64041 
1 1 1    6   20  -32 o   29.887   7.2353  275.605  147.403  361.657  238.982  222.766  187.267   32.762   10.846   27.012   9.5792 5.750172 14.47055 
1 1 1    6   21  -32 o  128.801   2.2620  4886.40  166.367  4709.66  252.383  5022.21  221.238  126.570   3.4526  131.032   2.9235 -4.461662 4.524042 
1 1 1    6   22  -32 o   82.177   4.1723  2016.41  193.214  2273.47  316.129  1863.12  244.116   85.892   6.3727   78.463   5.3870 7.428902 8.344563 
1 1 1    6   23  -32 o   66.404   3.7416  1316.59  142.124  1194.23  185.950  1488.49  220.401   62.850   5.1228   69.958   5.4550 -7.107716 7.483273 
1 1 1    6   24  -32 o   16.588   5.3804 -78.3202  117.105 -55.8838  166.980 -100.0354  164.275   17.133   7.7761   16.044   7.4382 1.089651 10.76079 
1 1 1    6   25  -32 o   80.061   3.5911  1947.31  166.019  1964.84  237.376  1930.53  232.279   80.387   5.1129   79.736   5.0440 0.6511383 7.182144 
1 1 1    6   26  -32 o   17.292   5.7172 -143.6997  127.897   8.0981  231.339 -210.5200  153.486   21.190   9.4203   13.395   6.4811 7.794961 11.43438 
1 1 1    6   27  -32 o   64.572   4.8974  1360.32  152.137  1273.28  308.795  1388.22  174.828   61.325   8.7186   67.819   4.4635 -6.494026 9.794707 
1 1 1    6   28  -32 o   20.940   6.5239   30.844  154.766  115.324  182.270 -187.4477  292.991   21.997   9.0077   19.883   9.4396 2.113516 13.04777 
1 1 1    6   29  -32 o   32.458   6.5686  392.942  133.117  297.134  194.660  477.103  182.444   28.399   9.7879   36.517   8.7625 -8.118828 13.13712 
1 1 1    6   30  -32 o   80.892   3.2394  1916.58  140.676  2254.63  258.193  1773.86  167.764   84.995   5.2598   76.788   3.7829 8.206932 6.478812 
1 1 1    6    0  -33 o  127.861   3.1602  4765.46  210.660  4771.10  392.068  4763.17  249.778  127.650   5.3393  128.072   3.3822 -0.000000 0.000000 
1 1 1    6    1  -33 o  180.566   2.5245  9489.42  263.263  9493.62  372.865  9485.25  371.756  180.605   3.5747  180.528   3.5656 0.7611084E-01 5.048918 
1 1 1    6    2  -33 f   44.392   5.2418  604.253  128.633  748.696  182.646  462.101  181.192   50.302   6.2869   38.482   8.3893 11.82063 10.48364 
1 1 1    6    3  -33 o  158.774   1.9103  7261.75  164.512  7463.38  288.938  7165.03  200.116  160.271   3.1215  157.277   2.2031 2.994156 3.820648 
1 1 1    6    4  -33 o   75.376   2.5283  1652.41  109.998  1706.62  158.954  1602.59  152.374   76.557   3.5950   74.194   3.5560 2.363235 5.056589 
1 1 1    6    5  -33 o   91.577   3.9781  2582.68  164.247  2656.08  183.852  2292.48  365.545   95.555   3.3314   87.600   7.2252 7.955605 7.956281 
1 1 1    6    6  -33 o   71.147   3.3437  1482.20  124.557  1479.72  147.788  1488.29  231.427   71.271   3.5904   71.024   5.6419 0.2471008 6.687452 
1 1 1    6    7  -33 o  145.311   1.8593  6057.48  148.750  6356.78  254.605  5902.38  183.285  147.904   2.9806  142.718   2.2236 5.186523 3.718650 
1 1 1    6    8  -33 o   41.326   6.3001  531.892  146.286  680.606  218.441  410.965  196.980   46.737   8.4015   35.916   9.3903 10.82022 12.60013 
1 1 1    6    9  -33 o  115.724   2.1150  3899.67  141.146  4067.57  197.423  3724.12  201.872  118.302   2.8895  113.146   3.0893 5.156479 4.229957 
1 1 1    6   10  -33 o   29.992   6.9784  276.646  139.917  237.588  219.248  303.482  181.735   28.933   10.354   31.052   9.3590 -2.118979 13.95672 
1 1 1    6   11  -33 o   88.429   3.6221  2218.22  162.650  2123.15  187.677  2505.09  326.004   85.211   3.8135   91.647   6.1591 -6.436241 7.244150 
1 1 1    6   12  -33 o   19.205   6.1445 -86.4291  145.530 -107.7410  197.264 -60.9766  215.576   18.250   8.3477   20.160   9.0187 -1.910095 12.28905 
1 1 1    6   13  -33 o  102.415   3.0091  3087.15  177.723  3181.33  247.311  2986.56  255.570  104.091   4.1138  100.738   4.3927 3.353096 6.018215 
1 1 1    6   14  -33 f   35.089   6.4586  400.556  131.730  396.025  177.841  406.063  196.078   34.958   8.8113   35.219   9.4453 -0.2604065 12.91716 
1 1 1    6   15  -33 o  115.304   2.5235  3892.89  167.972  3790.81  233.255  4002.84  242.090  113.744   3.5507  116.865   3.5868 -3.120369 5.047047 
1 1 1    6   16  -33 o   49.444   5.4413  770.694  149.093  740.771  229.284  792.615  196.247   47.911   8.6024   50.977   6.6657 -3.066326 10.88267 
1 1 1    6   17  -33 o   72.744   3.5565  1564.16  147.623  1476.47  192.269  1690.08  230.411   70.431   4.7267   75.058   5.3152 -4.627289 7.112903 
1 1 1    6   18  -33 o   61.035   3.1662  1106.75  111.386  1089.32  152.297  1126.79  163.329   60.568   4.3538   61.503   4.5981 -0.9352188 6.332311 
1 1 1    6   19  -33 o   27.820   6.9685  238.296  129.702  261.931  249.951  229.586  151.729   29.020   10.941   26.620   8.6338 2.399483 13.93695 
1 1 1    6   20  -33 o   24.131   7.4243   19.265  182.231  215.308  321.978 -73.1279  221.040   28.768   11.897   19.494   8.8856 9.274248 14.84870 
1 1 1    6   21  -33 o   52.547   6.0694  902.145  172.433  955.723  287.874  872.166  215.338   52.530   9.8507   52.564   7.0932 -0.3477097E-01 12.13878 
1 1 1    6   22  -33 o   71.615   3.6152  1560.34  145.266  1573.30  185.558  1539.83  233.470   72.431   4.4358   70.799   5.7098 1.631622 7.230330 
1 1 1    6   23  -33 o   61.774   6.1041  1269.01  157.096  1268.81  173.630  1269.91  368.863   64.871   4.6344   58.678   11.294 6.193562 12.20823 
1 1 1    6   24  -33 o   57.004   3.8838  1008.84  126.367  1103.16  172.418  899.386  185.743   60.234   4.9563   53.773   5.9808 6.460091 7.767573 
1 1 1    6   25  -33 o   26.036   6.8771  193.527  130.487  329.320  236.944  134.417  156.328   30.014   10.761   22.058   8.5660 7.955936 13.75412 
1 1 1    6   26  -33 o   32.469   6.3951  386.245  131.514  509.228  179.532  243.827  193.197   38.334   8.3458   26.604   9.6921 11.73017 12.79017 
1 1 1    6   27  -33 o   27.715   7.0887  286.225  151.405  348.265  181.446  143.999  274.727   30.718   9.3725   24.711   10.637 6.007198 14.17731 
1 1 1    6   28  -33 o   65.179   3.7058  1297.27  137.058  1470.72  219.566  1186.53  175.435   68.374   5.5602   61.984   4.9006 6.390060 7.411576 
1 1 1    6    0  -34 o   21.169   8.9368  161.038  193.339   58.174  336.591  211.688  236.191   20.172   12.900   22.165   12.372 -0.000000 0.000000 
1 1 1    6    1  -34 f   20.387   6.4776 -59.2542  152.965 -220.8747  283.702   6.9872  181.626   20.631   9.6355   20.143   8.6598 0.4880333 12.95510 
1 1 1    6    2  -34 f   16.607   5.3965 -105.8887  118.125 -294.7964  214.020 -23.1307  141.656   16.148   7.7734   17.065   7.4875 -0.9170799 10.79299 
1 1 1    6    3  -34 o   16.628   5.5558 -190.9047  134.198 -173.6627  220.528 -201.0444  169.115   18.315   8.5341   14.942   7.1159 3.373338 11.11152 
1 1 1    6    4  -34 o   28.933   7.9440  202.148  188.000  187.814  246.084  222.241  291.358   27.848   10.766   30.018   11.684 -2.170399 15.88790 
1 1 1    6    5  -34 o   55.846   4.7632  937.741  153.367  936.327  210.860  939.329  223.478   55.866   6.5352   55.825   6.9313 0.4089737E-01 9.526396 
1 1 1    6    6  -34 o   49.525   4.2748  733.532  122.081  694.212  173.747  771.872  171.570   48.157   6.2471   50.893   5.8371 -2.736504 8.549685 
1 1 1    6    7  -34 o   73.250   3.5696  1598.84  138.099  1559.36  250.568  1616.07  165.504   72.227   6.0068   74.273   3.8583 -2.045586 7.139174 
1 1 1    6    8  -34 o   34.509   6.4636  414.511  129.266  262.628  241.372  475.591  153.067   29.921   10.844   39.096   7.0377 -9.175152 12.92718 
1 1 1    6    9  -34 o   43.160   4.8860  555.696  119.375  613.776  192.092  519.154  152.369   44.804   7.4234   41.515   6.3548 3.288883 9.771963 
1 1 1    6   10  -34 o   75.102   4.0456  1658.77  175.476   0.0000   0.0000  1658.77  175.476  ?   ?    75.102   4.0456      ?      ? 
1 1 1    6   11  -34 o   57.360   6.8113  1149.57  185.460  889.510  354.408  1247.64  217.638   50.292   12.303   64.428   5.8489 -14.13617 13.62254 
1 1 1    6   12  -34 o   79.533   3.0465  1783.68  129.177  2096.82  240.784  1657.14  153.070   83.905   4.9688   75.161   3.5262 8.743889 6.092910 
1 1 1    6   13  -34 o   74.969   3.4037  1649.45  141.682  1763.54  238.513  1587.24  176.123   76.654   5.3875   73.283   4.1613 3.370682 6.807473 
1 1 1    6   14  -34 f   53.945   4.0783  861.959  125.018  781.538  160.406  986.403  199.536   50.940   5.4522   56.950   6.0666 -6.009731 8.156610 
1 1 1    6   15  -34 o   66.465   4.1746  1309.94  160.247  1309.94  160.247   0.0000   0.0000   66.465   4.1746  ?   ?       ?      ? 
1 1 1    6   16  -34 o   64.985   3.1680  1258.48  118.649  1373.14  170.549  1150.94  165.171   67.911   4.3483   62.059   4.6083 5.851936 6.335965 
1 1 1    6   17  -34 o   57.802   5.7488  1043.88  187.984  923.471  238.429  1241.69  305.599   53.861   7.6648   61.742   8.5701 -7.881348 11.49763 
1 1 1    6   18  -34 o   60.202   3.9131  1092.38  134.596  1019.69  175.754  1195.47  209.308   57.971   5.2494   62.434   5.8047 -4.463158 7.826287 
1 1 1    6   19  -34 o   50.311   4.0263  766.369  116.198  889.929  176.217  671.309  154.563   53.867   5.6642   46.756   5.7238 7.110851 8.052660 
1 1 1    6   20  -34 o   21.063   6.1694   19.460  141.251 -238.3117  217.262  208.191  185.903   16.442   7.8934   25.684   9.4837 -9.241644 12.33880 
1 1 1    6   21  -34 o   34.847   8.3338  412.571  175.602  350.330  200.100  621.096  366.258   31.274   9.8913   38.421   13.415 -7.146906 16.66770 
1 1 1    6   22  -34 o   18.961   5.8314   22.672  118.940 -19.5839  186.710   51.532  154.299   18.732   8.3855   19.191   8.1058 -0.4592400 11.66280 
1 1 1    6   23  -34 o   33.084   6.2154  387.711  131.739  195.379  186.331  579.945  186.283   24.872   9.4294   41.295   8.1001 -16.42300 12.43080 
1 1 1    6   24  -34 f   33.681   6.7577  402.495  134.621  497.610  219.242  344.929  170.562   36.395   10.083   30.967   9.0000 5.427359 13.51544 
1 1 1    6   25  -34 o   14.408   4.9130 -196.1520  119.702 -199.6877  156.339 -191.1425  186.091   13.550   6.5526   15.265   7.3221 -1.714342 9.825994 
1 1 1    6   26  -34 o   44.077   5.2760  655.662  130.885  672.298  194.743  641.957  176.758   44.001   7.9561   44.154   6.9315 -0.1527519 10.55208 
1 1 1    6    0  -35 o   94.260   4.7837  2672.73  257.326  2707.84  365.585  2638.26  362.265   94.892   6.7492   93.629   6.7810 -0.000000 0.000000 
1 1 1    6    1  -35 o  119.163   2.1017  4169.38  143.658  4458.16  196.788  3839.88  210.202  123.696   2.7546  114.631   3.1750 9.065102 4.203414 
1 1 1    6    2  -35 o   50.079   4.1863  741.999  114.650  794.227  199.296  716.165  140.166   51.070   6.7569   49.088   4.9440 1.981297 8.372522 
1 1 1    6    3  -35 o   29.505   7.3432  269.848  153.925  282.116  197.537  250.885  245.592   29.728   9.8617   29.282   10.883 0.4465580 14.68640 
1 1 1    6    4  -35 o   18.434   6.1444 -212.2999  170.044 -178.0868  237.048 -248.5680  244.063   18.792   8.7868   18.075   8.5911 0.7168827 12.28882 
1 1 1    6    5  -35 o   39.920   6.3370  524.898  140.221  534.843  180.372  509.706  222.925   40.881   7.9256   38.959   9.8901 1.922028 12.67397 
1 1 1    6    6  -35 o   33.481   5.9267  379.809  114.067  292.579  186.902  431.584  143.994   29.973   9.5680   36.988   6.9968 -7.015350 11.85337 
1 1 1    6    7  -35 o   78.828   3.2420  1789.50  141.419  2039.69  243.033  1661.43  173.889   82.614   5.0936   75.043   4.0122 7.570824 6.484023 
1 1 1    6    8  -35 o   42.240   7.1892  546.268  135.114  686.214  350.914  521.909  146.402   43.035   13.013   41.445   6.1163 1.589737 14.37846 
1 1 1    6    9  -35 o   15.948   5.3566 -216.8617  137.929 -486.6679  238.624 -81.4905  169.025   14.969   7.4106   16.927   7.7367 -1.957723 10.71325 
1 1 1    6   10  -35 o   23.151   6.3148  104.653  120.803  240.671  195.031   19.984  153.876   27.655   9.7791   18.647   7.9924 9.008223 12.62968 
1 1 1    6   11  -35 o   17.295   5.6760 -120.4186  135.486 -92.7315  180.744 -155.9297  204.695   17.259   7.9296   17.332   8.1233 -0.7285690E-01 11.35199 
1 1 1    6   12  -35 o   67.101   4.3373  1381.02  167.521  1384.77  247.097  1377.82  227.889   67.022   6.3836   67.180   5.8735 -0.1585388 8.674546 
1 1 1    6   13  -35 o   17.741   5.8830 -155.1329  150.172 -128.8191  229.177 -174.9331  198.798   18.851   8.7558   16.630   7.8598 2.220922 11.76606 
1 1 1    6   14  -35 o   15.909   5.5146 -395.0261  169.503 -466.1844  228.847 -308.5418  252.290   14.538   7.2076   17.280   8.3483 -2.742251 11.02924 
1 1 1    6   15  -35 o   13.910   4.8662 -306.8530  119.839 -246.2623  221.678 -331.8724  142.449   16.620   7.9775   11.200   5.5750 5.420695 9.732435 
1 1 1    6   16  -35 o   66.812   4.2761  1388.77  160.566  1344.91  255.148  1417.53  206.607   65.377   6.7575   68.246   5.2418 -2.869286 8.552177 
1 1 1    6   17  -35 o   20.379   6.2287   37.289  134.112   34.970  195.978   39.332  183.921   20.563   8.9177   20.195   8.6984 0.3686714 12.45740 
1 1 1    6   18  -35 o   17.477   6.1034 -280.8486  158.755 -270.1437  175.932 -327.7762  368.358   13.861   6.7594   21.092   10.165 -7.231280 12.20683 
1 1 1    6   19  -35 o   62.413   4.0363  1224.59  141.633  1316.10  185.650  1097.16  219.074   65.807   4.8847   59.019   6.4271 6.787930 8.072649 
1 1 1    6   20  -35 o   76.245   4.7036  1783.28  168.340  1965.53  369.727  1735.62  189.076   76.571   8.3605   75.918   4.3122 0.6522980 9.407105 
1 1 1    6   21  -35 o   56.115   4.7028  1008.22  149.353  1014.71  194.059  998.781  233.914   56.915   5.9037   55.315   7.3220 1.599834 9.405568 
1 1 1    6   22  -35 o   28.996   7.0119  311.748  141.181  289.731  218.220  327.599  185.151   28.163   10.294   29.828   9.5232 -1.665026 14.02382 
1 1 1    6   23  -35 o   15.699   5.4176 -273.4293  153.360 -335.1564  258.885 -240.0565  190.355   16.646   8.1351   14.752   7.1569 1.893206 10.83518 
1 1 1    6   24  -35 o   49.810   6.4686  895.239  180.767  733.557  245.997  1085.02  266.520   43.791   9.9524   55.829   8.2657 -12.03858 12.93728 
1 1 1    6    0  -36 o   26.993   8.3203  324.390  161.449  497.952  219.992  121.796  237.680   35.225   12.043   18.761   11.484 -0.000000 0.000000 
1 1 1    6    1  -36 o   63.103   3.6748  1174.54  129.813  1299.47  215.617  1103.50  162.579   65.413   5.7073   60.792   4.6306 4.621414 7.349533 
1 1 1    6    2  -36 o   26.680   6.4759  227.426  120.554  247.346  158.410  200.013  185.833   27.505   8.8116   25.856   9.4925 1.648661 12.95188 
1 1 1    6    3  -36 o   28.606   7.5220  261.754  167.769  330.959  192.232   40.578  343.658   31.204   9.6687   26.008   11.526 5.196747 15.04401 
1 1 1    6    4  -36 o   69.624   3.4260  1460.40  136.222  1506.49  181.606  1401.11  205.982   71.100   4.4225   68.147   5.2335 2.953041 6.851924 
1 1 1    6    5  -36 o   29.498   6.1642  290.838  112.481  309.827  159.518  272.061  158.630   30.400   8.6644   28.596   8.7703 1.804234 12.32845 
1 1 1    6    6  -36 o   18.141   5.8932 -105.7603  140.715 -25.1882  211.489 -169.7631  188.493   20.085   8.9626   16.197   7.6543 3.888077 11.78630 
1 1 1    6    7  -36 o   15.496   7.7319 -937.6462  183.812 -631.1843  280.892 -1167.1620  243.085   15.496   7.7319  ?   ?       ?      ? 
1 1 1    6    8  -36 f   50.533   4.1700  737.956  116.354  638.970  141.644  943.339  204.031   45.888   5.3446   55.179   6.4024 -9.290722 8.339950 
1 1 1    6    9  -36 o   22.240   6.5887   82.630  132.374   70.437  158.064  111.267  242.227   20.208   8.3444   24.272   10.199 -4.063303 13.17734 
1 1 1    6   10  -36 o   46.789   5.8954  727.232  153.552  575.444  215.977  882.378  218.353   40.782   9.3669   52.795   7.1611 -12.01252 11.79070 
1 1 1    6   11  -36 o   39.713   5.6745  544.333  122.989  619.616  156.595  423.134  198.691   44.764   6.0570   34.662   9.5974 10.10289 11.34891 
1 1 1    6   12  -36 o   60.709   4.8799  1190.38  166.140  957.490  246.124  1385.33  225.184   54.367   7.8385   67.052   5.8149 -12.68518 9.759894 
1 1 1    6   13  -36 o   42.001   8.0575  612.459  187.525  847.806  345.257  513.977  223.340   46.248   12.589   37.755   10.061 8.492874 16.11495 
1 1 1    6   14  -36 o   23.887   6.5560  145.843  128.590   82.544  165.613  241.939  204.055   20.702   8.5444   27.072   9.9458 -6.369745 13.11199 
1 1 1    6   15  -36 o   57.746   3.8860  1025.03  129.365  1015.13  177.407  1036.26  189.047   57.549   5.3376   57.944   5.6491 -0.3949089 7.771915 
1 1 1    6   16  -36 o   47.681   4.6166  716.721  126.762  749.901  187.929  689.022  171.704   48.581   6.6980   46.780   6.3553 1.800594 9.233195 
1 1 1    6   17  -36 o   14.083   4.8460 -261.1786  126.662 -325.5701  185.919 -205.4060  173.030   13.646   6.7147   14.519   6.9892 -0.8731546 9.692040 
1 1 1    6   18  -36 o   43.685   4.6739  620.489  111.731  585.169  175.713  644.465  144.769   41.784   7.5595   45.587   5.4986 -3.802414 9.347803 
1 1 1    6   19  -36 o   24.285   6.2852  187.991  120.965  271.630  164.690   90.007  178.254   27.589   8.9975   20.981   8.7784 6.607582 12.57040 
1 1 1    6   20  -36 o   58.051   3.8876  1052.88  129.921  1164.50  186.647  947.955  180.957   61.206   5.2800   54.896   5.7076 6.310608 7.775290 
1 1 1    6   21  -36 o   22.974   6.1688  145.497  117.138  276.357  179.020   47.522  154.902   27.306   9.3879   18.642   8.0053 8.664848 12.33768 
1 1 1    6   22  -36 o   35.774   6.3946  476.901  131.059  500.189  201.695  459.883  172.421   36.056   9.5384   35.493   8.5194 0.5627861 12.78913 
1 1 1    6    0  -37 o   52.646   8.2530  988.992  218.223  985.599  294.404  993.128  325.105   53.245   10.817   52.048   12.468 -0.000000 0.000000 
1 1 1    6    1  -37 o   54.992   4.1211  963.135  124.415  794.152  197.616  1074.10  160.135   50.230   6.8119   59.753   4.6402 -9.523060 8.242224 
1 1 1    6    2  -37 o   18.740   5.8317 -14.8395  126.572 -129.4600  195.410   68.008  166.133   17.106   7.9917   20.373   8.4951 -3.267172 11.66339 
1 1 1    6    3  -37 o   48.704   6.0478  798.986  161.985  840.832  211.850  740.084  251.342   51.462   7.1279   45.947   9.7722 5.514824 12.09554 
1 1 1    6    4  -37 o   23.090   6.8426  114.945  139.790  165.432  152.417 -152.4418  350.762   23.452   8.5987   22.728   10.647 0.7239990 13.68527 
1 1 1    6    5  -37 o   39.236   5.5357  518.468  116.975  549.263  145.621  462.455  196.398   42.134   5.9842   36.338   9.3147 5.795963 11.07132 
1 1 1    6    6  -37 o   45.748   5.8110  645.557  153.537   0.0000   0.0000  645.557  153.537  ?   ?    45.748   5.8110      ?      ? 
1 1 1    6    7  -37 o   33.026   7.5152  413.267  157.343  448.386  176.800  279.534  345.009   36.168   8.5914   29.884   12.333 6.283892 15.03045 
1 1 1    6    8  -37 o   15.001   5.3732 -512.7703  161.496 -534.9380  334.538 -506.0346  184.406   18.100   8.9258   11.902   5.9847 6.198151 10.74648 
1 1 1    6    9  -37 o   52.710   5.2630  892.371  157.855  917.710  245.663  874.551  206.014   52.882   8.0435   52.538   6.7895 0.3440018 10.52594 
1 1 1    6   10  -37 o   42.032   7.3624  631.573  168.202  697.736  303.353  602.202  202.117   42.154   11.925   41.910   8.6374 0.2436905 14.72486 
1 1 1    6   11  -37 o   21.602   6.5062   93.819  123.249  139.896  131.126 -255.5409  361.062   21.700   7.9726   21.503   10.284 0.1963882 13.01240 
1 1 1    6   12  -37 o   36.602   6.5595  501.434  141.012  366.796  229.325  583.291  178.811   31.411   10.628   41.793   7.6915 -10.38188 13.11907 
1 1 1    6   13  -37 o   61.483   4.4830  1143.06  159.189  1143.06  159.189   0.0000   0.0000   61.483   4.4830  ?   ?       ?      ? 
1 1 1    6   14  -37 o   80.640   2.7178  1925.10  124.703  1833.03  161.430  2061.34  196.372   78.471   3.5620   82.809   4.1060 -4.337364 5.435687 
1 1 1    6   15  -37 o   13.185   4.5816 -271.8870  114.548 -228.5925  184.131 -299.2211  146.306   14.694   7.1071   11.675   5.7840 3.018821 9.163273 
1 1 1    6   16  -37 o   52.592   4.0875  873.233  123.401  820.804  180.576  919.169  169.027   50.820   6.1523   54.364   5.3834 -3.544113 8.175047 
1 1 1    6   17  -37 o   43.083   6.0489  607.443  139.546  859.816  243.575  484.137  170.257   49.032   8.9303   37.134   8.1613 11.89825 12.09782 
1 1 1    6   18  -37 o   17.842   5.6387 -10.0636  118.666   48.198  177.805 -56.8573  159.348   19.498   8.4748   16.187   7.4401 3.311052 11.27734 
1 1 1    6   19  -37 o   27.642   6.7643  288.503  128.316  306.689  215.380  278.497  159.764   27.940   10.225   27.344   8.8585 0.5955200 13.52869 
1 1 1    6    0  -38 o   39.734   9.4835  609.896  183.888  513.069  220.844  828.800  332.058   35.268   12.071   44.201   14.630 -0.000000 0.000000 
1 1 1    6    1  -38 o   26.527   6.8822  204.122  128.907  342.616  237.098  146.005  153.590   30.573   10.785   22.481   8.5518 8.091965 13.76439 
1 1 1    6    2  -38 o   67.135   4.7185  1431.34  182.703  1438.64  252.556  1423.33  264.628   67.488   6.4795   66.782   6.8611 0.7062454 9.437069 
1 1 1    6    3  -38 o   34.376   7.9561  456.112  186.932  345.509  269.743  558.308  259.289   30.621   11.400   38.131   11.101 -7.510735 15.91226 
1 1 1    6    4  -38 o   19.099   6.1511 -49.5342  147.483 -63.2717  193.979 -30.7133  227.049   18.085   8.2744   20.112   9.1038 -2.027212 12.30223 
1 1 1    6    5  -38 o   31.296   7.1072  371.163  152.009  239.967  254.381  444.031  189.579   27.311   10.830   35.280   9.2065 -7.969088 14.21446 
1 1 1    6    6  -38 o   12.526   6.2991 -739.7685  129.839 -546.3425  204.613 -870.1581  167.996   12.526   6.2991  ?   ?       ?      ? 
1 1 1    6    7  -38 o   19.219   6.0509  -6.5717  122.454 -37.5857  144.820   71.225  229.367   16.152   7.2946   22.287   9.6562 -6.134581 12.10182 
1 1 1    6    8  -38 o   31.622   7.5033  359.181  150.516  330.120  177.291  434.194  284.838   30.267   9.2700   32.976   11.801 -2.708845 15.00664 
1 1 1    6    9  -38 f   33.857   6.7404  427.673  141.082  511.634  191.135  327.168  209.117   37.979   8.8737   29.734   10.148 8.245115 13.48077 
1 1 1    6   10  -38 o   82.995   3.2692  2098.24  156.063  2084.67  230.678  2109.70  211.924   82.543   4.8388   83.447   4.3973 -0.9033432 6.538389 
1 1 1    6   11  -38 o   49.724   6.9565  869.018  185.454  768.541  228.552  1062.69  317.314   46.672   8.8018   52.776   10.775 -6.104424 13.91291 
1 1 1    6   12  -38 o   10.837   5.5080 -706.7863  142.385 -632.8141  184.098 -816.9049  224.618   10.837   5.5080  ?   ?       ?      ? 
1 1 1    6   13  -38 o   30.067   7.1248  325.774  129.361  309.849  145.303  386.636  284.058   29.481   8.2232   30.654   11.637 -1.172764 14.24953 
1 1 1    6   14  -38 o   44.567   4.0925  630.010  105.294  609.234  146.547  652.181  151.388   43.804   5.7926   45.329   5.7827 -1.524719 8.184954 
1 1 1    6   15  -38 o   30.192   6.2107  340.928  114.612  353.899  150.332  322.923  177.112   31.283   8.2152   29.102   9.3166 2.181211 12.42133 
1 1 1    6    0  -39 o   21.801   8.9382  167.921  197.499 -28.4426  258.468  443.436  306.161   15.381   10.324   28.222   14.593 -0.000000 0.000000 
1 1 1    6    1  -39 o   74.425   4.0382  1738.81  168.805  1735.73  270.744  1740.77  215.910   73.649   6.3652   75.200   4.9713 -1.551918 8.076427 
1 1 1    6    2  -39 o   13.745   4.9376 -544.1996  155.811 -513.6566  180.866 -632.0986  306.827   11.520   5.8099   15.970   7.9853 -4.449056 9.875262 
1 1 1    6    3  -39 o   49.436   5.2172  750.655  141.018  1009.04  253.973  635.490  169.556   54.512   8.0669   44.359   6.6183 10.15334 10.43444 
1 1 1    6    4  -39 o   43.037   5.5333  662.525  128.816  441.332  192.840  840.755  173.102   34.442   9.4220   51.633   5.8049 -17.19091 11.06661 
1 1 1    6    5  -39 f   16.556   5.4807 -106.5038  130.689 -104.8037  177.828 -108.5005  192.712   16.239   7.5986   16.874   7.9001 -0.6345348 10.96132 
1 1 1    6    6  -39 o   27.500   7.1925  273.841  150.332  226.964  198.540  336.831  230.148   25.584   9.7252   29.417   10.599 -3.833445 14.38490 
1 1 1    6    7  -39 o   19.772   6.7477 -345.1888  207.486 -573.4210  254.281  109.520  358.916   14.312   7.1732   25.231   11.431 -10.91840 13.49540 
1 1 1    6    8  -39 o   29.644   6.4409  333.885  124.098  258.693  190.004  389.823  163.881   26.541   9.6204   32.747   8.5667 -6.206730 12.88179 
1 1 1    6    9  -39 o   36.770   5.4906  471.356  112.906  512.930  163.881  433.794  155.773   38.450   7.6491   35.091   7.8791 3.358421 10.98127 
1 1 1    6   10  -39 o   11.123   3.9942 -620.3219  134.456 -591.0184  184.130 -653.7975  196.802   11.028   5.5953   11.219   5.7015 -0.1910162 7.988399 
1 1 1    7    0    0 -   9.9572   6.7831 -352.2472   83.151 -71.0748  119.935 -612.4879  115.385   9.9572   6.7831   9.9572   6.7831 -0.000000 0.000000 
1 1 1    7    1    0 o  252.692   1.5287 18424.37  210.328 18503.56  364.564 18384.86  257.504  253.086   2.4947  252.297   1.7674 -0.000000 0.000000 
1 1 1    7    2    0 o   75.480   1.8690  1658.07   76.095  1632.29  132.837  1670.67   92.837   74.989   3.0789   75.971   2.1196 -0.000000 0.000000 
1 1 1    7    3    0 o  305.303   2.0752 26926.68  365.841 26814.34  516.426 27039.85  518.336  304.664   2.9356  305.943   2.9341 -0.000000 0.000000 
1 1 1    7    4    0 o   46.490   2.9468  631.686   78.392  631.686   78.392   0.0000   0.0000   46.490   2.9468   46.490   2.9468 -0.000000 0.000000 
1 1 1    7    5    0 o  301.033   1.9409 26176.61  337.345 26115.71  473.119 26239.59  481.138  300.677   2.7250  301.388   2.7647 -0.000000 0.000000 
1 1 1    7    6    0 o  798.282   3.3304 184087.00  1535.32 183811.30  2171.26 184362.70  2171.28  797.684   4.7133  798.880   4.7063 -0.000000 0.000000 
1 1 1    7    7    0 o  1147.13   4.7430 380240.19  3141.91 376247.81  4446.41 384221.41  4440.25  1141.12   6.7473  1153.15   6.6676 -0.000000 0.000000 
1 1 1    7    8    0 o   77.903   2.0666  1755.17   91.832  1725.13  121.429  1795.30  140.356   77.144   2.7332   78.661   3.1004 -0.000000 0.000000 
1 1 1    7    9    0 o  568.202   2.9103 92930.58  901.420 94256.62  1562.90 92269.59  1103.45  571.200   4.7383  565.204   3.3806 -0.000000 0.000000 
1 1 1    7   10    0 o  405.221   1.7922 47426.69  419.383 47185.41  593.714 47666.95  592.481  404.192   2.5436  406.250   2.5254 -0.000000 0.000000 
1 1 1    7   11    0 o  543.470   2.3213 85311.06  728.521 84699.76  1031.56 85919.38  1029.02  541.527   3.2986  545.413   3.2670 -0.000000 0.000000 
1 1 1    7   12    0 o  252.734   1.5689 18418.39  215.623 18544.23  374.923 18356.20  263.574  253.366   2.5628  252.101   1.8105 -0.000000 0.000000 
1 1 1    7   13    0 f  222.216   1.6678 14262.22  214.023 14262.22  214.023   0.0000   0.0000  222.216   1.6678  222.216   1.6678 -0.000000 0.000000 
1 1 1    7   14    0 o  242.662   1.2687 17007.49  177.786 16954.35  251.232 17060.79  251.623  242.282   1.7956  243.042   1.7928 -0.000000 0.000000 
1 1 1    7   15    0 o   11.177   5.3492 -66.7502   97.960 -67.2049  123.643 -65.9836  160.549   10.245   6.9532   12.109   8.1309 -0.000000 0.000000 
1 1 1    7   16    0 o   57.190   3.6005  974.601  115.577  1044.84  157.422  892.471  170.228   59.611   4.6371   54.770   5.5094 -0.000000 0.000000 
1 1 1    7   17    0 o  456.720   2.3829 60092.04  592.364 60731.22  1029.23 59775.43  724.360  458.511   3.8873  454.929   2.7572 -0.000000 0.000000 
1 1 1    7   18    0 o  216.702   1.7224 13565.19  215.417 13618.28  309.472 13515.28  300.039  217.113   2.4688  216.292   2.4025 -0.000000 0.000000 
1 1 1    7   19    0 o  144.699   1.9221  6069.37  159.947  6291.67  219.836  5819.32  233.148  147.533   2.5818  141.865   2.8482 -0.000000 0.000000 
1 1 1    7   20    0 f  568.117   3.3788 93245.11  1108.35 94965.03  1574.16 91554.21  1560.82  573.315   4.7549  562.920   4.8017 -0.000000 0.000000 
1 1 1    7   21    0 o  328.579   2.1046 31190.86  399.201 31108.89  570.727 31269.36  558.580  328.155   3.0119  329.004   2.9402 -0.000000 0.000000 
1 1 1    7   22    0 o  668.897   3.4562 129016.10  1256.94 130063.10  2187.26 128499.90  1535.86  670.853   5.6462  666.941   3.9876 -0.000000 0.000000 
1 1 1    7   23    0 o  204.032   1.9239 11996.27  226.266 11426.81  309.728 12647.97  331.341  198.852   2.6980  209.212   2.7433 -0.000000 0.000000 
1 1 1    7   24    0 o   36.191   7.4032  471.058  132.841  499.372  170.463  427.272  211.982   38.992   8.6607   33.390   12.009 -0.000000 0.000000 
1 1 1    7   25    0 o   86.603   2.2279  2150.56  110.130  2355.43  169.818  2001.87  144.679   90.122   3.2724   83.085   3.0242 -0.000000 0.000000 
1 1 1    7   26    0 o  349.926   2.3892 35441.51  481.809 33081.83  684.136 37763.55  678.659  338.339   3.5020  361.513   3.2510 -0.000000 0.000000 
1 1 1    7   27    0 o  713.293   4.5303 147314.70  1854.81 146301.91  2773.93 148133.70  2494.46  710.994   6.7567  715.592   6.0366 -0.000000 0.000000 
1 1 1    7   28    0 o  221.216   3.0319 14146.07  387.194   0.0000   0.0000 14146.07  387.194  221.216   3.0319  221.216   3.0319 -0.000000 0.000000 
1 1 1    7   29    0 o  260.102   2.8887 19553.29  433.827   0.0000   0.0000 19553.29  433.827  260.102   2.8887  260.102   2.8887 -0.000000 0.000000 
1 1 1    7   30    0 o   10.036   5.1405 -389.5369  141.024 -509.9021  185.146 -223.1986  217.651   8.0676   5.9238   12.004   8.4027 -0.000000 0.000000 
1 1 1    7   31    0 o  320.880   2.3399 29886.83  431.402 28309.53  631.886 31263.87  590.413  312.894   3.4977  328.866   3.1091 -0.000000 0.000000 
1 1 1    7   32    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   33    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   34    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   35    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   36    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   37    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   38    0 o  159.002   3.4576  7322.65  317.174   0.0000   0.0000  7322.65  317.174  159.002   3.4576  159.002   3.4576 -0.000000 0.000000 
1 1 1    7   39    0 o  210.938   2.1324 12861.89  259.719   0.0000   0.0000 12861.89  259.719  210.938   2.1324  210.938   2.1324 -0.000000 0.000000 
1 1 1    7   40    0 o   48.928   7.0093  738.172  186.282   0.0000   0.0000  738.172  186.282   48.928   7.0093   48.928   7.0093 -0.000000 0.000000 
1 1 1    7   41    0 o  103.313   3.2496  3098.63  193.463   0.0000   0.0000  3098.63  193.463  103.313   3.2496  103.313   3.2496 -0.000000 0.000000 
1 1 1    7   42    0 o   66.292   4.8191  1297.14  182.265   0.0000   0.0000  1297.14  182.265   66.292   4.8191   66.292   4.8191 -0.000000 0.000000 
1 1 1    7   43    0 o   25.967   13.254  304.345  250.599   0.0000   0.0000  304.345  250.599   25.967   13.254   25.967   13.254 -0.000000 0.000000 
1 1 1    7   44    0 o   67.014   4.5833  1327.06  175.485   0.0000   0.0000  1327.06  175.485   67.014   4.5833   67.014   4.5833 -0.000000 0.000000 
1 1 1    7   45    0 o   36.969   13.439  560.147  263.885   0.0000   0.0000  560.147  263.885   36.969   13.439   36.969   13.439 -0.000000 0.000000 
1 1 1    7   46    0 o   29.060   10.828  345.956  169.145   0.0000   0.0000  345.956  169.145   29.060   10.828   29.060   10.828 -0.000000 0.000000 
1 1 1    7   47    0 o  142.654   2.5224  5915.09  207.675   0.0000   0.0000  5915.09  207.675  142.654   2.5224  142.654   2.5224 -0.000000 0.000000 
1 1 1    7   48    0 f   45.905   6.7779  671.657  168.194   0.0000   0.0000  671.657  168.194   45.905   6.7779   45.905   6.7779 -0.000000 0.000000 
1 1 1    7   49    0 o   32.111   10.817  414.994  179.305   0.0000   0.0000  414.994  179.305   32.111   10.817   32.111   10.817 -0.000000 0.000000 
1 1 1    7   50    0 o   49.942   7.1951  805.626  195.020   0.0000   0.0000  805.626  195.020   49.942   7.1951   49.942   7.1951 -0.000000 0.000000 
1 1 1    7   51    0 o   34.893   10.476  478.397  183.972   0.0000   0.0000  478.397  183.972   34.893   10.476   34.893   10.476 -0.000000 0.000000 
1 1 1    7    0   -1 o  358.203   1.6103 37061.70  333.065 36364.85  470.793 37759.92  471.256  354.830   2.2976  361.575   2.2569 -0.000000 0.000000 
1 1 1    7    1   -1 o  145.124   0.8904  6081.41   74.613  6053.65  104.279  6110.54  106.802  144.784   1.2471  145.463   1.2713 -0.6786957 1.780827 
1 1 1    7    2   -1 o  268.373   1.5440 20794.75  225.666 20782.06  276.382 20820.13  390.866  268.255   1.7839  268.490   2.5207 -0.2344666 3.088059 
1 1 1    7    3   -1 o  330.229   1.1644 31489.65  219.785 31469.27  290.676 31516.86  335.840  330.105   1.5247  330.352   1.7602 -0.2462463 2.328730 
1 1 1    7    4   -1 o  419.670   1.3961 50847.11  334.963 50984.46  511.684 50744.10  443.102  420.163   2.1086  419.177   1.8303 0.9859314 2.792178 
1 1 1    7    5   -1 o  598.197   1.7904 103350.10  618.573 103318.00  875.170 103382.10  874.419  598.104   2.5336  598.290   2.5306 -0.1857910 3.580893 
1 1 1    7    6   -1 o  269.309   1.1431 20843.28  168.679 21265.72  289.878 20627.00  207.410  271.360   1.8496  267.259   1.3437 4.101349 2.286206 
1 1 1    7    7   -1 o  240.540   1.1955 16708.94  166.083 16618.30  234.396 16800.32  235.360  239.885   1.6919  241.195   1.6896 -1.310211 2.391038 
1 1 1    7    8   -1 f  536.619   1.8676 83166.48  578.814 83128.76  819.627 83203.99  817.512  536.497   2.6452  536.740   2.6372 -0.2429199 3.735252 
1 1 1    7    9   -1 o  365.397   2.0876 38521.95  416.295 38682.24  718.494 38440.95  510.765  365.958   3.3994  364.835   2.4240 1.124023 4.175175 
1 1 1    7   10   -1 o  216.837   1.0619 13579.96  130.416 13568.61  205.603 13587.60  168.697  216.760   1.6423  216.914   1.3466 -0.1533203 2.123817 
1 1 1    7   11   -1 f  579.498   2.0080 96986.95  672.053 96600.56  948.806 97375.99  952.054  578.340   2.8406  580.657   2.8389 -2.316589 4.016038 
1 1 1    7   12   -1 o  184.041   1.1379  9782.31  120.917  9819.80  169.166  9743.16  172.900  184.402   1.5884  183.680   1.6298 0.7212219 2.275838 
1 1 1    7   13   -1 o  254.180   0.9874 18645.17  143.502 18571.13  189.778 18744.03  219.291  253.592   1.2958  254.769   1.4904 -1.176605 1.974881 
1 1 1    7   14   -1 o  284.100   1.2543 23258.98  201.256 23545.20  321.020 23073.64  258.326  285.536   1.9466  282.665   1.5824 2.870880 2.508654 
1 1 1    7   15   -1 o  200.433   1.4238 11612.48  141.185 11580.90  286.773 11622.59  162.205  200.249   2.4796  200.617   1.3999 -0.3670654 2.847503 
1 1 1    7   16   -1 f  415.596   1.4062 49805.28  334.375 50421.21  510.360 49342.04  442.601  417.842   2.1149  413.350   1.8540 4.491913 2.812454 
1 1 1    7   17   -1 o  244.131   1.1691 17159.63  162.277 17503.82  253.959 16922.11  210.963  246.193   1.7861  242.070   1.5090 4.123291 2.338184 
1 1 1    7   18   -1 o  481.353   1.9399 66945.76  527.883 67048.09  680.438 66791.05  836.607  481.823   2.4452  480.883   3.0123 0.9404297 3.879811 
1 1 1    7   19   -1 o  255.871   1.7125 18885.21  241.167 18831.66  298.563 18985.75  409.095  255.355   2.0244  256.387   2.7628 -1.031708 3.425079 
1 1 1    7   20   -1 o  629.015   3.0797 114371.40  967.496 114201.40  1938.31 114427.80  1116.53  628.622   5.3389  629.408   3.0715 -0.7862549 6.159351 
1 1 1    7   21   -1 o  401.612   2.1672 46682.81  476.550 46298.98  814.497 46882.60  587.628  400.335   3.5227  402.888   2.5254 -2.553436 4.334445 
1 1 1    7   22   -1 o  508.060   2.8633 74880.88  795.156 75513.83  979.808 73659.84  1360.89  511.267   3.3182  504.852   4.6674 6.414948 5.726701 
1 1 1    7   23   -1 o  483.240   2.0665 67458.32  576.724 67316.54  812.241 67602.47  819.022  482.729   2.9134  483.752   2.9315 -1.023010 4.132961 
1 1 1    7   24   -1 o  343.321   2.1646 34065.36  429.064 34734.09  603.133 33380.17  610.510  346.736   3.0118  339.906   3.1099 6.830200 4.329276 
1 1 1    7   25   -1 o  205.498   1.7989 12202.70  213.339 11618.67  300.716 12794.49  302.707  200.545   2.5963  210.451   2.4905 -9.906525 3.597704 
1 1 1    7   26   -1 o   25.685   6.6554  131.749  136.544   11.226  194.768  248.235  191.479   21.598   9.1139   29.772   9.7013 -8.173325 13.31085 
1 1 1    7   27   -1 o  279.774   1.8308 22692.17  272.252 22421.70  491.897 22811.61  326.886  278.537   3.0578  281.012   2.0141 -2.475250 3.661520 
1 1 1    7   28   -1 o  237.296   2.0985 16267.80  287.599 16267.80  287.599   0.0000   0.0000  237.296   2.0985  ?   ?       ?      ? 
1 1 1    7   29   -1 o   87.385   3.4278  2205.04  172.744  2336.90  252.591  2089.19  236.770   89.831   4.8686   84.939   4.8265 4.892235 6.855532 
1 1 1    7   30   -1 o  249.549   2.0308 18008.07  292.580 17827.93  418.380 18180.48  409.311  248.322   2.9172  250.775   2.8261 -2.452454 4.061638 
1 1 1    7   31   -1 o  163.906   2.0137  7775.07  190.440  7522.12  272.194  8017.63  266.541  161.286   2.9221  166.525   2.7714 -5.238983 4.027324 
1 1 1    7   32   -1 o  214.380   2.7649 13289.53  342.338 13289.53  342.338   0.0000   0.0000  214.380   2.7649  ?   ?       ?      ? 
1 1 1    7   33   -1 o  173.379   2.0200  8693.02  202.228  8738.60  289.502  8649.58  282.608  173.821   2.8838  172.938   2.8295 0.8825836 4.040093 
1 1 1    7   34   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   35   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   36   -1 o   96.799   4.3097  2716.66  240.938   0.0000   0.0000  2716.66  240.938  ?   ?    96.799   4.3097      ?      ? 
1 1 1    7   37   -1 o  198.441   2.2735 11385.53  260.560   0.0000   0.0000 11385.53  260.560  ?   ?   198.441   2.2735      ?      ? 
1 1 1    7   38   -1 o   77.798   4.1436  1755.87  186.180   0.0000   0.0000  1755.87  186.180  ?   ?    77.798   4.1436      ?      ? 
1 1 1    7   39   -1 o   77.348   6.1506  1747.98  274.760   0.0000   0.0000  1747.98  274.760  ?   ?    77.348   6.1506      ?      ? 
1 1 1    7   40   -1 o  228.511   2.2432 15136.38  295.931 14600.69  417.175 15678.98  419.856  224.429   3.2185  232.594   3.1255 -8.164917 4.486362 
1 1 1    7   41   -1 o  115.573   2.9506  3899.43  196.171  4056.50  269.305  3721.87  286.332  118.107   3.9481  113.039   4.3859 5.068726 5.901112 
1 1 1    7   42   -1 o  165.861   2.3586  7969.10  225.936   0.0000   0.0000  7969.10  225.936  ?   ?   165.861   2.3586      ?      ? 
1 1 1    7   43   -1 o   27.343   9.1424  220.254  169.682   0.0000   0.0000  220.254  169.682  ?   ?    27.343   9.1424      ?      ? 
1 1 1    7   44   -1 o  113.737   2.4062  3723.34  147.629  3920.32  263.344  3633.07  178.276  115.697   3.9411  111.777   2.7616 3.920204 4.812327 
1 1 1    7   45   -1 o   15.787   5.5041 -487.3777  178.889 -529.7026  266.941 -452.8752  241.014   16.031   7.9183   15.542   7.6472 0.4891777 11.00814 
1 1 1    7   46   -1 o  114.094   2.8547  3848.77  188.019  3817.97  261.468  3881.76  270.562  113.658   3.9832  114.532   4.0903 -0.8739624 5.709367 
1 1 1    7   47   -1 o  140.816   2.2109  5885.42  171.764  5612.96  285.312  6040.30  215.113  137.858   3.5835  143.775   2.5906 -5.917282 4.421808 
1 1 1    7   48   -1 o   17.569   5.6370 -53.5015  123.856 -44.5075  179.959 -61.5960  170.723   17.988   8.1270   17.149   7.8138 0.8389854 11.27400 
1 1 1    7   49   -1 o   63.733   5.0497  1239.65  185.870  1239.65  185.870   0.0000   0.0000   63.733   5.0497  ?   ?       ?      ? 
1 1 1    7   50   -1 o   72.366   4.8120  1680.92  200.529  1837.39  297.239  1550.22  271.664   75.417   6.8242   69.314   6.7862 6.103172 9.623994 
1 1 1    7   51   -1 o   54.342   5.9545  1052.55  177.110  879.671  261.851  1198.34  240.456   48.434   9.6992   60.250   6.9102 -11.81665 11.90907 
1 1 1    7    0   -2 o  343.302   1.9357 34182.85  361.269 34461.33  442.756 33628.10  624.911  345.420   2.2196  341.184   3.1720 -0.000000 0.000000 
1 1 1    7    1   -2 o  156.026   0.9981  7048.41   88.351  6931.91  137.978  7129.37  115.026  154.930   1.5420  157.123   1.2676 -2.192719 1.996133 
1 1 1    7    2   -2 o  416.395   1.6771 50081.93  395.144 50105.42  510.122 50046.69  624.791  416.524   2.1206  416.267   2.5988 0.2562256 3.354197 
1 1 1    7    3   -2 o  507.622   1.5394 74419.92  451.306 74339.35  638.995 74500.13  637.494  507.348   2.1808  507.897   2.1733 -0.5485840 3.078770 
1 1 1    7    4   -2 o  147.171   1.0087  6274.11   83.012  6177.37  135.032  6332.88  105.249  146.255   1.5986  148.086   1.2306 -1.831360 2.017410 
1 1 1    7    5   -2 o  395.122   1.6469 45052.18  368.309 44904.27  475.287 45274.52  582.712  394.316   2.0870  395.928   2.5483 -1.612457 3.293863 
1 1 1    7    6   -2 o  345.697   1.7976 34583.09  309.774 34380.48  621.726 34650.00  357.280  345.010   3.1202  346.385   1.7859 -1.374817 3.595162 
1 1 1    7    7   -2 f  354.629   1.3009 36318.88  266.435 36442.41  377.393 36196.13  376.202  355.231   1.8395  354.028   1.8399 1.202362 2.601732 
1 1 1    7    8   -2 o  181.408   1.1482  9504.75  120.242  9466.74  172.610  9540.58  167.598  181.055   1.6507  181.760   1.5966 -0.7050629 2.296477 
1 1 1    7    9   -2 o  379.256   1.4696 41526.98  303.315 41503.55  371.223 41574.01  526.096  379.100   1.6955  379.411   2.4009 -0.3116760 2.939199 
1 1 1    7   10   -2 o  169.033   1.0842  8252.78  105.824  8095.71  150.087  8408.06  149.232  167.433   1.5521  170.633   1.5143 -3.199539 2.168438 
1 1 1    7   11   -2 o  332.942   1.7338 32015.94  267.907 32009.96  595.443 32017.46  299.986  332.913   3.0969  332.972   1.5599 -0.5838013E-01 3.467571 
1 1 1    7   12   -2 o  571.476   1.7196 94318.94  567.549 94983.36  802.505 93654.09  802.766  573.490   2.4229  569.463   2.4408 4.027466 3.439208 
1 1 1    7   13   -2 o  226.339   1.2074 14793.43  157.764 14824.50  226.625 14764.22  219.756  226.570   1.7319  226.109   1.6828 0.4608154 2.414815 
1 1 1    7   14   -2 o  153.888   1.1906  6840.12  105.601  6858.41  144.892  6819.40  154.230  154.108   1.6279  153.669   1.7378 0.4394073 2.381190 
1 1 1    7   15   -2 o  294.876   1.3153 25109.01  219.914 25120.27  345.646 25101.36  285.050  294.930   2.0292  294.823   1.6741 0.1078186 2.630629 
1 1 1    7   16   -2 o   76.849   2.0988  1705.76   93.125  1701.55  133.162  1709.79  130.283   76.755   3.0039   76.942   2.9318 -0.1860275 4.197521 
1 1 1    7   17   -2 o  273.305   1.6477 21703.79  222.837 21317.51  450.784 21828.71  256.349  271.678   2.8729  274.932   1.6144 -3.253418 3.295487 
1 1 1    7   18   -2 o  342.072   2.2031 33796.48  435.234 33610.39  613.637 33984.87  617.409  341.125   3.1147  343.020   3.1165 -1.895020 4.406115 
1 1 1    7   19   -2 o  380.023   1.7808 41713.41  390.750 41558.71  558.099 41862.16  547.268  379.332   2.5475  380.715   2.4889 -1.383728 3.561512 
1 1 1    7   20   -2 o  358.742   2.5033 37174.78  518.253 37224.01  747.934 37129.31  718.777  358.968   3.6076  358.516   3.4714 0.4521484 5.006537 
1 1 1    7   21   -2 o  240.084   1.7822 16643.79  246.974 16521.92  342.940 16775.10  355.973  239.172   2.4827  240.996   2.5575 -1.824097 3.564376 
1 1 1    7   22   -2 o  261.703   1.6304 19748.71  234.055 19885.71  400.010 19677.39  288.621  262.383   2.6397  261.022   1.9145 1.361847 3.260878 
1 1 1    7   23   -2 o  262.652   1.9386 19934.11  293.925 19707.32  421.110 20149.55  410.440  261.193   2.7916  264.111   2.6908 -2.917603 3.877265 
1 1 1    7   24   -2 o  213.320   1.6140 13086.04  192.373 13372.12  316.433 12918.32  242.288  215.154   2.5465  211.486   1.9837 3.668213 3.227953 
1 1 1    7   25   -2 o  394.155   2.6251 44922.00  597.181 46778.96  844.261 43062.58  844.822  402.318   3.6335  385.992   3.7897 16.32574 5.250114 
1 1 1    7   26   -2 o  274.635   1.7292 21926.08  258.303 22201.39  317.044 21382.54  445.465  277.236   1.9801  272.034   2.8353 5.201904 3.458305 
1 1 1    7   27   -2 o  189.372   1.8604 10358.97  203.475   0.0000   0.0000 10358.97  203.475  ?   ?   189.372   1.8604      ?      ? 
1 1 1    7   28   -2 o  141.120   2.1566  5782.43  171.576  5880.21  220.924  5633.83  272.360  142.645   2.6816  139.595   3.3782 3.050842 4.313192 
1 1 1    7   29   -2 o  258.798   1.9736 19360.92  294.942 18953.90  416.941 19768.60  417.281  256.073   2.8192  261.523   2.7627 -5.450439 3.947203 
1 1 1    7   30   -2 o  215.223   1.6712 13342.97  191.725 13273.66  230.118 13500.30  346.682  214.344   1.8589  216.102   2.7777 -1.757431 3.342331 
1 1 1    7   31   -2 o   65.096   4.0673  1205.04  149.625  1349.11  242.826  1116.85  189.975   68.143   6.1701   62.050   5.3012 6.093143 8.134609 
1 1 1    7   32   -2 o  253.426   2.0458 18560.64  299.321 19147.16  430.053 18009.54  416.864  257.307   2.8939  249.546   2.8924 7.760681 4.091538 
1 1 1    7   33   -2 o  124.018   3.3339  4450.82  238.797  4450.82  238.797   0.0000   0.0000  124.018   3.3339  ?   ?       ?      ? 
1 1 1    7   34   -2 o  122.230   2.3599  4331.61  166.147  4198.43  241.744  4450.84  228.731  120.435   3.4755  124.025   3.1932 -3.590317 4.719738 
1 1 1    7   35   -2 o   57.235   5.4093  951.601  178.809   0.0000   0.0000  951.601  178.809  ?   ?    57.235   5.4093      ?      ? 
1 1 1    7   36   -2 o  206.161   2.1680 12286.07  258.141   0.0000   0.0000 12286.07  258.141  ?   ?   206.161   2.1680      ?      ? 
1 1 1    7   37   -2 o   24.565   9.6107  109.522  197.904   0.0000   0.0000  109.522  197.904  ?   ?    24.565   9.6107      ?      ? 
1 1 1    7   38   -2 o  232.028   2.2682 15568.29  303.949   0.0000   0.0000 15568.29  303.949  ?   ?   232.028   2.2682      ?      ? 
1 1 1    7   39   -2 f  213.053   2.2969 13129.64  282.624   0.0000   0.0000 13129.64  282.624  ?   ?   213.053   2.2969      ?      ? 
1 1 1    7   40   -2 f  100.240   3.5892  2915.61  207.792   0.0000   0.0000  2915.61  207.792  ?   ?   100.240   3.5892      ?      ? 
1 1 1    7   41   -2 o   50.740   6.6879  758.649  195.987   0.0000   0.0000  758.649  195.987  ?   ?    50.740   6.6879      ?      ? 
1 1 1    7   42   -2 o   37.054   8.0627  429.442  190.329  373.729  267.475  486.586  270.889   35.001   11.469   39.107   11.335 -4.106022 16.12543 
1 1 1    7   43   -2 o  238.178   2.0637 16432.30  283.880 16432.30  283.880   0.0000   0.0000  238.178   2.0637  ?   ?       ?      ? 
1 1 1    7   44   -2 o  109.014   3.1204  3462.76  196.461   0.0000   0.0000  3462.76  196.461  ?   ?   109.014   3.1204      ?      ? 
1 1 1    7   45   -2 o  ?   ?  -732.6717  189.792   0.0000   0.0000 -732.6717  189.792  ?   ?   ?   ?       ?      ? 
1 1 1    7   46   -2 o   94.195   2.7613  2640.00  143.881  2550.12  238.317  2691.55  180.487   92.607   4.4558   95.783   3.2627 -3.176697 5.522611 
1 1 1    7   47   -2 o   68.441   4.4567  1416.56  173.876  1154.39  228.804  1774.92  267.504   60.968   6.4980   75.915   6.1013 -14.94681 8.913415 
1 1 1    7   48   -2 o   82.004   3.8396  1999.78  181.849   0.0000   0.0000  1999.78  181.849  ?   ?    82.004   3.8396      ?      ? 
1 1 1    7   49   -2 o   30.196   9.5620  326.254  186.956   0.0000   0.0000  326.254  186.956  ?   ?    30.196   9.5620      ?      ? 
1 1 1    7   50   -2 o   98.147   3.1990  2874.12  170.711  3091.21  300.232  2770.40  207.522  100.053   5.1957   96.240   3.7336 3.813324 6.397986 
1 1 1    7   51   -2 o   72.816   4.0882  1648.91  155.041  1773.41  292.233  1600.15  182.905   73.259   6.9069   72.373   4.3759 0.8855667 8.176424 
1 1 1    7    0   -3 o  394.884   2.1180 45130.55  456.256 44771.47  785.502 45313.39  560.503  393.677   3.4554  396.091   2.4504 -0.000000 0.000000 
1 1 1    7    1   -3 o  609.400   1.9627 107292.40  683.851 107042.00  1043.09 107481.10  905.634  608.768   2.9668  610.032   2.5705 -1.263855 3.925447 
1 1 1    7    2   -3 o  145.390   0.9311  6126.37   75.018  6183.52   93.936  6025.74  124.646  146.330   1.1115  144.449   1.4941 1.880737 1.862192 
1 1 1    7    3   -3 o  476.593   1.4568 65598.59  401.001 65518.09  566.657 65679.33  567.545  476.300   2.0599  476.886   2.0606 -0.5856934 2.913685 
1 1 1    7    4   -3 o  514.978   1.9959 76485.67  581.477 76047.27  749.253 77149.58  922.043  513.135   2.5282  516.822   3.0891 -3.686584 3.991745 
1 1 1    7    5   -3 o  605.975   2.2013 106129.30  726.011 105860.60  1257.78 106263.60  889.076  605.377   3.5974  606.573   2.5379 -1.195679 4.402535 
1 1 1    7    6   -3 o  433.916   1.6948 54361.65  416.352 54458.09  657.635 54297.13  537.877  434.232   2.6223  433.600   2.1479 0.6317139 3.389639 
1 1 1    7    7   -3 o  199.960   1.1219 11546.57  129.568   0.0000   0.0000 11546.57  129.568  ?   ?   199.960   1.1219      ?      ? 
1 1 1    7    8   -3 o  379.790   1.5838 41757.49  339.741 42148.52  438.072 41167.37  538.161  382.030   1.9855  377.550   2.4680 4.480316 3.167539 
1 1 1    7    9   -3 o  270.157   1.5434 21139.01  209.660 20953.26  415.044 21202.65  242.934  269.353   2.6680  270.962   1.5524 -1.609436 3.086769 
1 1 1    7   10   -3 o  208.547   0.8829 12531.94  105.484 12347.58  140.076 12773.45  160.319  206.780   1.1729  210.315   1.3199 -3.535095 1.765727 
1 1 1    7   11   -3 o  458.928   1.7248 60762.75  431.817 61016.83  745.888 60634.65  529.592  459.642   2.8098  458.215   2.0012 1.427399 3.449559 
1 1 1    7   12   -3 o  361.065   1.6925 37646.36  352.917 37396.30  495.183 37904.49  503.111  359.846   2.3827  362.283   2.4045 -2.436462 3.385096 
1 1 1    7   13   -3 o  412.911   1.5018 49237.82  358.136 49273.75  506.273 49201.82  506.688  413.061   2.1222  412.760   2.1255 0.3016663 3.003562 
1 1 1    7   14   -3 o  214.625   1.1204 13305.39  136.010 13287.99  215.286 13316.96  175.461  214.507   1.7378  214.742   1.4147 -0.2354736 2.240824 
1 1 1    7   15   -3 o  239.459   0.8980 16559.26  124.182 16504.88  176.320 16612.79  174.928  239.069   1.2770  239.849   1.2628 -0.7802887 1.795951 
1 1 1    7   16   -3 o   70.973   2.1201  1515.37   72.164  1567.45   82.540  1346.39  148.670   73.672   1.9399   68.273   3.7704 5.399178 4.240176 
1 1 1    7   17   -3 o  424.230   1.6860 51996.45  404.321 51879.80  640.879 52073.58  521.116  423.830   2.6182  424.631   2.1249 -0.8008423 3.371949 
1 1 1    7   18   -3 o  239.702   1.5878 16618.88  211.346 16502.93  350.360 16685.21  264.987  239.040   2.5378  240.365   1.9088 -1.324005 3.175548 
1 1 1    7   19   -3 o  380.472   2.6578 41822.52  583.913 41494.11  831.823 42141.57  819.862  378.998   3.8002  381.946   3.7167 -2.948456 5.315568 
1 1 1    7   20   -3 o  167.199   1.3112  8071.41  126.578  8162.40  181.473  7985.19  176.641  168.116   1.8690  166.281   1.8393 1.834732 2.622304 
1 1 1    7   21   -3 o  570.672   2.8975 93573.91  813.332 95092.00  1673.78 93104.66  930.587  573.604   5.0524  567.741   2.8381 5.862305 5.794963 
1 1 1    7   22   -3 o  502.422   2.6331 72864.67  729.003 73161.70  1232.84 72704.97  903.980  503.168   4.2424  501.675   3.1200 1.493011 5.266111 
1 1 1    7   23   -3 o  263.077   2.1293 20000.43  323.420 19635.79  460.482 20355.43  454.349  260.708   3.0583  265.446   2.9637 -4.737823 4.258662 
1 1 1    7   24   -3 o  241.496   1.9902 16850.84  275.493 16868.16  367.806 16828.71  415.805  241.643   2.6355  241.348   2.9831 0.2954559 3.980494 
1 1 1    7   25   -3 f  560.567   2.8374 90631.44  878.827 91535.98  1479.61 90138.39  1092.40  562.640   4.5534  558.493   3.3867 4.146362 5.674751 
1 1 1    7   26   -3 o  270.447   1.8624 21137.12  290.721 21283.27  405.069 20981.86  417.495  271.414   2.5841  269.480   2.6825 1.934052 3.724710 
1 1 1    7   27   -3 o   49.380   4.0303  700.358  114.463  779.229  171.323  636.766  153.837   51.870   5.7189   46.890   5.6805 4.979794 8.060654 
1 1 1    7   28   -3 o  183.613   1.8190  9778.18  192.134  9202.90  279.002 10297.09  264.978  178.450   2.7071  188.775   2.4304 -10.32481 3.638037 
1 1 1    7   29   -3 o  189.016   1.7382 10334.12  189.574 10671.26  265.580  9983.89  270.690  192.166   2.3929  185.867   2.5216 6.299225 3.476336 
1 1 1    7   30   -3 o   91.706   2.9109  2440.98  153.466  2359.11  225.975  2511.05  209.077   90.263   4.3348   93.149   3.8863 -2.886086 5.821837 
1 1 1    7   31   -3 o   45.003   4.9556  587.200  128.802  587.200  128.802   0.0000   0.0000   45.003   4.9556  ?   ?       ?      ? 
1 1 1    7   32   -3 o   84.441   2.4807  2061.29  120.980   0.0000   0.0000  2061.29  120.980  ?   ?    84.441   2.4807      ?      ? 
1 1 1    7   33   -3 o  229.506   1.6351 15039.99  171.767 15532.24  391.914 14922.96  191.098  231.731   2.9283  227.280   1.4558 4.450424 3.270261 
1 1 1    7   34   -3 o   61.230   5.5816  1089.26  197.379   0.0000   0.0000  1089.26  197.379  ?   ?    61.230   5.5816      ?      ? 
1 1 1    7   35   -3 o   21.463   6.2382   56.765  113.716 -11.4972  226.595   79.744  131.470   22.522   9.6773   20.404   7.8745 2.117975 12.47635 
1 1 1    7   36   -3 o  102.830   3.4953  3061.69  207.584   0.0000   0.0000  3061.69  207.584  ?   ?   102.830   3.4953      ?      ? 
1 1 1    7   37   -3 o  184.453   2.3078  9837.56  245.844   0.0000   0.0000  9837.56  245.844  ?   ?   184.453   2.3078      ?      ? 
1 1 1    7   38   -3 o   78.657   4.6274  1797.15  210.214   0.0000   0.0000  1797.15  210.214  ?   ?    78.657   4.6274      ?      ? 
1 1 1    7   39   -3 o  160.772   2.4533  7478.50  227.794   0.0000   0.0000  7478.50  227.794  ?   ?   160.772   2.4533      ?      ? 
1 1 1    7   40   -3 o  120.902   3.1220  4236.78  217.995   0.0000   0.0000  4236.78  217.995  ?   ?   120.902   3.1220      ?      ? 
1 1 1    7   41   -3 o   41.470   8.5645  530.983  198.332   0.0000   0.0000  530.983  198.332  ?   ?    41.470   8.5645      ?      ? 
1 1 1    7   42   -3 o   95.680   3.6718  2664.53  202.900   0.0000   0.0000  2664.53  202.900  ?   ?    95.680   3.6718      ?      ? 
1 1 1    7   43   -3 o   38.412   8.8318  466.910  191.833   0.0000   0.0000  466.910  191.833  ?   ?    38.412   8.8318      ?      ? 
1 1 1    7   44   -3 o  123.708   2.8998  4454.54  207.181   0.0000   0.0000  4454.54  207.181  ?   ?   123.708   2.8998      ?      ? 
1 1 1    7   45   -3 o   18.853   6.2693 -223.7445  177.398 -116.6897  244.871 -341.9907  257.352   20.200   9.2620   17.507   8.4516 2.693096 12.53855 
1 1 1    7   46   -3 o   28.163   7.6211  223.136  178.791  323.228  244.409  107.919  262.227   31.140   10.954   25.186   10.599 5.953943 15.24218 
1 1 1    7   47   -3 o   12.273   6.0806 -342.4108  161.829   0.0000   0.0000 -342.4108  161.829  ?   ?    12.273   6.0806      ?      ? 
1 1 1    7   48   -3 o   65.119   4.8580  1283.47  182.703   0.0000   0.0000  1283.47  182.703  ?   ?    65.119   4.8580      ?      ? 
1 1 1    7   49   -3 o   59.951   4.9346  1148.79  170.221  1196.05  253.566  1110.02  229.662   60.865   7.2133   59.036   6.7358 1.829475 9.869282 
1 1 1    7   50   -3 o   28.558   7.5120  280.409  172.714  441.992  253.063  139.516  236.306   33.248   11.165   23.867   10.053 9.380655 15.02399 
1 1 1    7   51   -3 f   78.651   4.1541  1972.69  188.557  1883.43  261.130  2069.93  272.558   76.776   5.8890   80.525   5.8606 -3.749016 8.308246 
1 1 1    7    0   -4 o  276.409   1.6762 21975.56  252.970 21784.78  310.092 22355.16  437.402  274.635   1.9552  278.182   2.7231 -0.000000 0.000000 
1 1 1    7    1   -4 o  491.129   2.3774 70046.01  537.677 70293.22  601.019 69055.15  1203.26  493.351   2.1093  488.908   4.2614 4.443604 4.754834 
1 1 1    7    2   -4 o  451.860   1.3927 58965.43  363.448 58699.75  513.004 59233.17  514.987  450.838   1.9702  452.882   1.9689 -2.043854 2.785385 
1 1 1    7    3   -4 o  240.682   1.4663 16690.30  192.841 16609.00  236.748 16850.58  332.423  239.817   1.7093  241.547   2.3829 -1.730194 2.932560 
1 1 1    7    4   -4 o  270.217   1.0888 21086.91  169.920 20910.62  240.360 21263.03  240.245  269.088   1.5466  271.346   1.5330 -2.258118 2.177649 
1 1 1    7    5   -4 o  326.949   1.7443 30951.62  284.716 31030.21  328.668 30715.30  569.923  327.794   1.7361  326.105   3.0260 1.688873 3.488675 
1 1 1    7    6   -4 o  118.240   1.1587  4037.31   79.110  4030.16  110.804  4044.75  112.985  118.133   1.6241  118.347   1.6530 -0.2136002 2.317331 
1 1 1    7    7   -4 o  294.616   1.6784 25137.49  246.704 25206.62  284.715 24929.22  494.213  295.439   1.6686  293.793   2.9126 1.646118 3.356752 
1 1 1    7    8   -4 o  338.606   1.7374 33036.97  294.354 33263.77  589.389 32961.60  339.760  339.370   3.0071  337.843   1.7413 1.526703 3.474853 
1 1 1    7    9   -4 o  133.755   1.7546  5166.91  135.542  5132.01  191.868  5201.67  191.503  133.304   2.4921  134.206   2.4707 -0.9018860 3.509289 
1 1 1    7   10   -4 o   81.144   1.6741  1899.35   74.969  1894.13   93.115  1908.96  126.402   80.987   1.9908   81.301   2.6920 -0.3143005 3.348138 
1 1 1    7   11   -4 o  247.934   1.4487 17751.72  207.450   0.0000   0.0000 17751.72  207.450  ?   ?   247.934   1.4487      ?      ? 
1 1 1    7   12   -4 o  196.424   1.4544 11157.75  138.902 11171.00  158.357 11113.54  289.247  196.681   1.3941  196.167   2.5530 0.5135651 2.908861 
1 1 1    7   13   -4 o  394.704   1.7714 44993.65  403.788 45132.16  569.192 44853.32  572.911  395.315   2.4930  394.092   2.5171 1.223450 3.542761 
1 1 1    7   14   -4 o  349.299   1.6640 35236.38  335.680 35185.35  475.223 35287.21  474.223  349.047   2.3574  349.552   2.3490 -0.5050049 3.327930 
1 1 1    7   15   -4 o  782.451   2.6407 176837.00  1193.35 176330.09  1685.40 177346.59  1689.90  781.326   3.7350  783.575   3.7342 -2.248779 5.281473 
1 1 1    7   16   -4 o  103.674   1.3331  3106.12   78.460  3092.53  122.698  3115.53  102.052  103.481   2.0530  103.867   1.7012 -0.3854218 2.666269 
1 1 1    7   17   -4 o  219.784   1.1760 13961.46  145.430 14001.21  185.915 13898.81  233.441  220.189   1.4620  219.379   1.8425 0.8095703 2.352009 
1 1 1    7   18   -4 o  395.289   1.8205 45122.49  415.578 45587.65  592.357 44671.62  583.183  397.294   2.5816  393.283   2.5675 4.011536 3.640980 
1 1 1    7   19   -4 o  543.793   2.7661 85201.59  820.347 84746.09  1005.01 86110.97  1420.05  541.656   3.2126  545.930   4.5038 -4.273560 5.532217 
1 1 1    7   20   -4 o  571.632   3.2242 94886.06  993.731 93107.37  1745.91 95738.42  1208.60  567.586   5.3261  575.679   3.6351 -8.093018 6.448327 
1 1 1    7   21   -4 o  302.366   2.2732 26403.06  396.905 26988.63  566.488 25838.43  556.267  305.658   3.2090  299.073   3.2205 6.584534 4.546335 
1 1 1    7   22   -4 f  426.930   2.2867 52823.51  537.994 52095.37  905.674 53220.55  668.776  424.622   3.6930  429.238   2.6977 -4.616180 4.573429 
1 1 1    7   23   -4 o  186.083   1.7251 10000.73  185.398   0.0000   0.0000 10000.73  185.398  ?   ?   186.083   1.7251      ?      ? 
1 1 1    7   24   -4 o  275.953   2.1762 21995.93  346.834   0.0000   0.0000 21995.93  346.834  ?   ?   275.953   2.1762      ?      ? 
1 1 1    7   25   -4 o  523.468   2.6904 78934.14  772.295 80067.34  1322.99 78348.39  951.180  526.231   4.3531  520.706   3.1629 5.524414 5.380810 
1 1 1    7   26   -4 o  101.623   1.7267  2979.05  101.015  3038.46  149.639  2929.31  136.920  102.551   2.5265  100.696   2.3544 1.855568 3.453429 
1 1 1    7   27   -4 o   60.904   3.2801  1031.61  113.114  1329.40  182.116  844.573  144.330   67.782   4.6521   54.027   4.6255 13.75506 6.560292 
1 1 1    7   28   -4 o   70.157   3.1121  1422.83  126.097  1422.83  126.097   0.0000   0.0000   70.157   3.1121  ?   ?       ?      ? 
1 1 1    7   29   -4 o  245.652   1.9322 17443.27  274.091 17398.33  390.640 17486.84  384.674  245.338   2.7569  245.966   2.7079 -0.6274719 3.864376 
1 1 1    7   30   -4 o   93.206   1.9482  2505.52  104.689  2415.88  143.041  2608.92  153.630   91.416   2.7093   94.995   2.8002 -3.578659 3.896308 
1 1 1    7   31   -4 o  113.302   1.7426  3680.85   98.779  3770.81  198.627  3651.29  113.857  114.186   3.0119  112.418   1.7536 1.768028 3.485237 
1 1 1    7   32   -4 o  104.246   2.5160  3134.84  147.063  3102.01  186.339  3189.07  239.473  103.552   3.1157  104.939   3.9512 -1.386749 5.031909 
1 1 1    7   33   -4 o  136.827   1.8626  5475.92  124.078  5297.29  255.907  5530.83  141.869  135.301   3.2749  138.352   1.7755 -3.050919 3.725213 
1 1 1    7   34   -4 o   62.151   4.4659  1145.52  146.465  1070.82  263.810  1178.81  176.098   60.555   7.5432   63.748   4.7830 -3.192459 8.931821 
1 1 1    7   35   -4 o  119.921   2.8093  4163.15  194.286  4223.26  283.415  4109.85  266.855  120.728   4.0647  119.114   3.8791 1.613831 5.618645 
1 1 1    7   36   -4 o  164.645   2.1403  7836.03  203.520   0.0000   0.0000  7836.03  203.520  ?   ?   164.645   2.1403      ?      ? 
1 1 1    7   37   -4 o   93.158   2.7482  2510.75  147.862   0.0000   0.0000  2510.75  147.862  ?   ?    93.158   2.7482      ?      ? 
1 1 1    7   38   -4 o   87.931   4.2953  2244.31  218.132   0.0000   0.0000  2244.31  218.132  ?   ?    87.931   4.2953      ?      ? 
1 1 1    7   39   -4 o   85.713   4.0559  2132.98  200.777   0.0000   0.0000  2132.98  200.777  ?   ?    85.713   4.0559      ?      ? 
1 1 1    7   40   -4 o  105.767   3.5589  3246.42  217.393   0.0000   0.0000  3246.42  217.393  ?   ?   105.767   3.5589      ?      ? 
1 1 1    7   41   -4 o   57.197   6.1867  962.162  204.371   0.0000   0.0000  962.162  204.371  ?   ?    57.197   6.1867      ?      ? 
1 1 1    7   42   -4 o   71.518   4.8928  1498.47  202.099   0.0000   0.0000  1498.47  202.099  ?   ?    71.518   4.8928      ?      ? 
1 1 1    7   43   -4 o   64.873   4.9062  1237.74  183.820   0.0000   0.0000  1237.74  183.820  ?   ?    64.873   4.9062      ?      ? 
1 1 1    7   44   -4 o   57.993   5.4000  998.992  180.866   0.0000   0.0000  998.992  180.866  ?   ?    57.993   5.4000      ?      ? 
1 1 1    7   45   -4 o   68.482   4.5377  1389.41  179.472   0.0000   0.0000  1389.41  179.472  ?   ?    68.482   4.5377      ?      ? 
1 1 1    7   46   -4 o   23.710   7.0046   46.635  170.074  230.163  244.826 -124.5297  236.435   28.034   10.765   19.386   8.9651 8.647799 14.00929 
1 1 1    7   47   -4 o   20.435   8.3662   78.636  157.186   0.0000   0.0000   78.636  157.186  ?   ?    20.435   8.3662      ?      ? 
1 1 1    7   48   -4 o   71.037   4.0159  1505.64  164.759   0.0000   0.0000  1505.64  164.759  ?   ?    71.037   4.0159      ?      ? 
1 1 1    7   49   -4 o   75.583   3.7416  1828.69  150.993  1527.46  254.689  1991.95  187.497   69.585   6.3374   81.581   3.9794 -11.99633 7.483200 
1 1 1    7   50   -4 o   35.298   7.8585  491.065  180.614  383.306  242.463  625.405  270.720   31.229   10.915   39.368   11.309 -8.139114 15.71699 
1 1 1    7   51   -4 o   24.107   9.1413  200.628  175.140   0.0000   0.0000  200.628  175.140  ?   ?    24.107   9.1413      ?      ? 
1 1 1    7    0   -5 o  181.921   1.6969  9559.73  178.255   0.0000   0.0000  9559.73  178.255  181.921   1.6969  181.921   1.6969 -0.000000 0.000000 
1 1 1    7    1   -5 o  689.426   2.5972 137391.50  1012.79 137768.50  1307.26 136825.59  1601.82  690.630   3.2774  688.221   4.0300 2.409302 5.194411 
1 1 1    7    2   -5 f  687.525   2.6415 136621.59  1027.27 136143.70  1624.74 136939.91  1325.94  686.501   4.0979  688.549   3.3343 -2.047119 5.282975 
1 1 1    7    3   -5 o  414.172   1.7711 49542.32  423.643 49673.86  599.265 49410.92  598.979  414.722   2.5019  413.623   2.5074 1.099243 3.542129 
1 1 1    7    4   -5 o  393.201   1.5949 44623.02  354.494 44786.26  562.785 44515.66  456.422  393.792   2.4745  392.609   2.0129 1.183014 3.189820 
1 1 1    7    5   -5 o  206.730   1.4036 12379.38  154.438 12246.71  278.490 12438.30  185.589  205.925   2.3416  207.536   1.5484 -1.610931 2.807246 
1 1 1    7    6   -5 o  388.647   2.0069 43863.52  387.888 43154.80  779.196 44097.01  447.242  386.533   3.4904  390.761   1.9817 -4.227325 4.013743 
1 1 1    7    7   -5 o  477.215   1.6894 65761.97  465.573 66287.66  664.218 65254.25  652.771  479.089   2.4005  475.340   2.3778 3.748688 3.378820 
1 1 1    7    8   -5 f  226.945   1.4601 14932.10  182.253 14682.69  307.874 15066.66  226.133  225.478   2.3642  228.413   1.7142 -2.934402 2.920250 
1 1 1    7    9   -5 o  364.955   1.3507 38464.97  284.685 38574.79  401.713 38354.19  403.504  365.478   1.9031  364.431   1.9171 1.046692 2.701340 
1 1 1    7   10   -5 f  604.108   1.9606 105445.80  677.320 105733.60  897.769 105065.50  1031.93  605.070   2.5691  603.145   2.9624 1.925110 3.921212 
1 1 1    7   11   -5 o  205.204   1.4271 12134.36  159.942 12080.42  196.281 12240.95  275.928  204.529   1.6616  205.879   2.3206 -1.350220 2.854160 
1 1 1    7   12   -5 f  219.837   1.3685 13909.89  138.824 14034.53  311.645 13879.04  155.059  220.445   2.4478  219.228   1.2247 1.216812 2.737050 
1 1 1    7   13   -5 o  210.716   1.2144 12822.26  147.761 12813.88  206.769 12831.01  211.234  210.646   1.6996  210.786   1.7351 -0.1405945 2.428867 
1 1 1    7   14   -5 o  289.514   1.4621 24206.34  244.470 24426.61  345.933 23986.59  345.533  290.829   2.0595  288.198   2.0759 2.631531 2.924235 
1 1 1    7   15   -5 o  435.213   2.3546 54771.77  553.902 54890.48  674.009 54524.84  972.148  435.956   2.6769  434.470   3.8742 1.485413 4.709110 
1 1 1    7   16   -5 o  367.148   1.5459 38929.92  321.812 38931.70  417.151 38927.30  505.766  367.162   1.9672  367.134   2.3853 0.2740479E-01 3.091839 
1 1 1    7   17   -5 o  523.443   2.3071 79138.38  697.287 79081.61  974.983 79197.80  997.634  523.252   3.2263  523.633   3.2988 -0.3815308 4.614223 
1 1 1    7   18   -5 o  347.947   2.1806 34964.76  438.196 34964.76  438.196   0.0000   0.0000  347.947   2.1806  ?   ?       ?      ? 
1 1 1    7   19   -5 o  412.879   2.6491 49236.14  631.685   0.0000   0.0000 49236.14  631.685  ?   ?   412.879   2.6491      ?      ? 
1 1 1    7   20   -5 o  607.865   3.6025 106744.60  1264.71   0.0000   0.0000 106744.60  1264.71  ?   ?   607.865   3.6025      ?      ? 
1 1 1    7   21   -5 o  230.099   1.9736 15289.71  261.546 15344.27  384.889 15242.91  356.503  230.478   2.8915  229.720   2.6871 0.7577820 3.947284 
1 1 1    7   22   -5 o  478.714   3.0888 66231.59  853.964 66147.13  1211.20 66315.09  1204.20  478.409   4.3836  479.019   4.3527 -0.6097412 6.177562 
1 1 1    7   23   -5 o  163.613   2.2091  7715.78  204.997  7638.92  265.261  7829.73  323.015  162.611   2.8245  164.615   3.3976 -2.003632 4.418270 
1 1 1    7   24   -5 o  227.001   1.8758 14886.34  245.900 15183.38  348.696 14592.48  346.822  229.254   2.6336  224.747   2.6719 4.506668 3.751655 
1 1 1    7   25   -5 o  485.755   2.9241 68219.34  820.241 69744.48  1163.42 66712.03  1156.60  491.158   4.1014  480.353   4.1690 10.80566 5.848280 
1 1 1    7   26   -5 o  208.106   1.8538 12522.45  222.426 12682.29  306.777 12345.29  322.963  209.511   2.5353  206.701   2.7054 2.809998 3.707669 
1 1 1    7   27   -5 o  225.644   1.8799 14707.89  244.982 14707.89  244.982   0.0000   0.0000  225.644   1.8799  ?   ?       ?      ? 
1 1 1    7   28   -5 o  383.058   2.4775 42433.20  548.076 42980.03  775.472 41887.41  774.721  385.528   3.4828  380.589   3.5245 4.938232 4.955013 
1 1 1    7   29   -5 f  149.351   1.5345  6447.32  118.197  6440.75  225.324  6449.81  138.832  149.277   2.6135  149.424   1.6087 -0.1470795 3.068964 
1 1 1    7   30   -5 o   99.611   2.1057  2884.73  118.769  2787.43  185.693  2952.09  154.505   98.168   3.2752  101.054   2.6473 -2.886566 4.211323 
1 1 1    7   31   -5 f   87.763   2.3561  2227.40  116.547  2233.17  186.494  2223.71  149.290   87.838   3.6762   87.688   2.9479 0.1502457 4.712141 
1 1 1    7   32   -5 o  109.005   2.5347  3460.32  135.566  3399.58  277.534  3479.36  155.362  108.304   4.4370  109.706   2.4520 -1.402061 5.069448 
1 1 1    7   33   -5 f   66.265   2.8945  1270.08  110.777   0.0000   0.0000  1270.08  110.777  ?   ?    66.265   2.8945      ?      ? 
1 1 1    7   34   -5 o  176.107   1.8608  9003.64  182.105  8836.99  300.436  9100.43  228.958  174.780   2.9763  177.434   2.2343 -2.654221 3.721584 
1 1 1    7   35   -5 f   94.940   3.8050  2645.91  201.932  2734.08  257.677  2505.59  325.074   97.089   4.5954   92.792   6.0658 4.296967 7.609953 
1 1 1    7   36   -5 o  123.690   3.0896  4427.60  220.708   0.0000   0.0000  4427.60  220.708  ?   ?   123.690   3.0896      ?      ? 
1 1 1    7   37   -5 o  175.870   2.4175  8922.36  242.450  8739.52  317.085  9179.72  376.196  173.747   3.1599  177.992   3.6595 -4.245331 4.834997 
1 1 1    7   38   -5 o   65.209   3.4102  1236.75  128.364  1214.92  183.473  1257.68  179.656   64.637   4.9148   65.782   4.7288 -1.144432 6.820309 
1 1 1    7   39   -5 o   82.195   3.8938  1941.78  163.923  1908.44  191.039  2034.84  319.199   81.066   4.0804   83.324   6.6330 -2.257851 7.787518 
1 1 1    7   40   -5 o  102.743   3.3153  3061.96  196.723   0.0000   0.0000  3061.96  196.723  ?   ?   102.743   3.3153      ?      ? 
1 1 1    7   41   -5 o   62.244   4.2108  1128.78  151.372   0.0000   0.0000  1128.78  151.372  ?   ?    62.244   4.2108      ?      ? 
1 1 1    7   42   -5 o   28.240   8.0230  246.192  137.000   0.0000   0.0000  246.192  137.000  ?   ?    28.240   8.0230      ?      ? 
1 1 1    7   43   -5 f  107.764   3.4164  3384.89  212.631   0.0000   0.0000  3384.89  212.631  ?   ?   107.764   3.4164      ?      ? 
1 1 1    7   44   -5 o   28.158   11.264  176.380  277.524   0.0000   0.0000  176.380  277.524  ?   ?    28.158   11.264      ?      ? 
1 1 1    7   45   -5 o   41.458   8.4249  557.589  194.846   0.0000   0.0000  557.589  194.846  ?   ?    41.458   8.4249      ?      ? 
1 1 1    7   46   -5 o   55.680   6.1062  949.120  196.359   0.0000   0.0000  949.120  196.359  ?   ?    55.680   6.1062      ?      ? 
1 1 1    7   47   -5 o   97.842   3.2719  2820.17  184.890   0.0000   0.0000  2820.17  184.890  ?   ?    97.842   3.2719      ?      ? 
1 1 1    7   48   -5 o   74.719   3.6058  1727.84  146.081  1608.86  248.472  1790.68  180.588   72.001   5.9752   77.437   4.0379 -5.435951 7.211654 
1 1 1    7   49   -5 o   42.278   6.2833  609.951  143.037  683.792  242.814  570.710  177.010   43.325   9.9180   41.231   7.7170 2.093830 12.56653 
1 1 1    7   50   -5 o   65.378   4.0358  1338.90  145.630  1357.30  244.081  1328.73  181.470   64.928   6.5090   65.829   4.7731 -0.9009247 8.071581 
1 1 1    7    0   -6 o  418.592   2.5658 50615.51  620.181 51007.84  879.390 50227.29  874.765  420.207   3.6241  416.978   3.6330 -0.000000 0.000000 
1 1 1    7    1   -6 f  350.212   1.5060 35329.04  298.194 35865.57  474.426 34978.66  383.392  352.401   2.3310  348.023   1.9074 4.378143 3.011971 
1 1 1    7    2   -6 o  213.279   1.1442 13136.70  140.933 13194.02  198.897 13078.91  199.724  213.747   1.6112  212.812   1.6250 0.9345398 2.288330 
1 1 1    7    3   -6 o  489.679   2.4879 69251.77  703.616 69251.77  703.616   0.0000   0.0000  489.679   2.4879  ?   ?       ?      ? 
1 1 1    7    4   -6 o  398.049   1.2644 45756.83  290.677 45570.61  410.980 45943.24  411.180  397.239   1.7914  398.859   1.7850 -1.620880 2.528840 
1 1 1    7    5   -6 o  460.302   1.9772 61192.66  525.514 61219.78  750.739 61166.60  735.863  460.401   2.8234  460.203   2.7686 0.1987305 3.954317 
1 1 1    7    6   -6 o  274.425   1.2515 21773.54  194.125 21871.73  250.350 21625.47  307.426  275.204   1.5751  273.647   1.9452 1.556824 2.502948 
1 1 1    7    7   -6 o  354.029   1.1515 36194.59  235.446 36270.88  334.467 36119.65  331.495  354.398   1.6341  353.659   1.6230 0.7394714 2.303095 
1 1 1    7    8   -6 o  541.287   2.3252 84623.16  726.904 84317.05  1027.92 84929.37  1028.07  540.308   3.2941  542.267   3.2827 -1.958679 4.650458 
1 1 1    7    9   -6 o  467.147   2.7152 63140.72  681.511 62737.21  1209.14 63328.61  825.049  466.031   4.4924  468.263   3.0507 -2.232056 5.430318 
1 1 1    7   10   -6 o  158.949   1.2014  7294.96  110.246  7336.65  158.272  7255.68  153.654  159.390   1.7193  158.508   1.6784 0.8818665 2.402762 
1 1 1    7   11   -6 o  138.194   1.1478  5515.15   91.607  5548.95  129.581  5481.38  129.524  138.618   1.6186  137.771   1.6278 0.8466187 2.295567 
1 1 1    7   12   -6 o  639.576   3.1774 118849.50  1002.92 119492.10  1152.25 116841.20  2037.07  643.218   3.1017  635.935   5.5464 7.283203 6.354743 
1 1 1    7   13   -6 f  216.056   1.1393 13453.08  139.379 13343.17  179.802 13618.57  220.626  214.953   1.4483  217.158   1.7591 -2.205185 2.278622 
1 1 1    7   14   -6 o  654.071   2.4838 123560.30  917.769 123537.90  1180.93 123594.40  1458.38  654.011   3.1265  654.131   3.8603 -0.1199951 4.967570 
1 1 1    7   15   -6 o  182.182   1.2971  9587.91  121.639  9578.74  232.626  9591.35  142.702  182.119   2.2116  182.245   1.3558 -0.1251678 2.594132 
1 1 1    7   16   -6 o  293.101   1.6198 24809.31  274.203 24809.31  274.203   0.0000   0.0000  293.101   1.6198  ?   ?       ?      ? 
1 1 1    7   17   -6 o  364.549   1.5746 38346.60  323.487 38224.52  414.040 38537.89  518.273  363.809   1.9705  365.289   2.4566 -1.479156 3.149279 
1 1 1    7   18   -6 o  516.618   2.6683 77141.94  753.718 76969.16  1293.82 77230.68  927.318  516.149   4.3402  517.087   3.1051 -0.9374390 5.336617 
1 1 1    7   19   -6 o  194.377   1.6784 10913.12  163.787 10910.57  325.717 10913.98  189.486  194.354   2.9018  194.400   1.6877 -0.4624939E-01 3.356874 
1 1 1    7   20   -6 o  645.007   3.4923 120015.50  1226.00 120900.30  2129.13 119576.50  1499.55  646.695   5.7006  643.319   4.0360 3.375549 6.984674 
1 1 1    7   21   -6 o  315.417   2.2906 28735.16  417.274   0.0000   0.0000 28735.16  417.274  ?   ?   315.417   2.2906      ?      ? 
1 1 1    7   22   -6 o  239.205   1.9337 16525.38  266.847 16602.31  387.034 16455.68  368.412  239.734   2.7953  238.676   2.6726 1.057343 3.867413 
1 1 1    7   23   -6 o  413.666   2.6832 49444.57  640.977 50032.66  914.311 48876.20  898.842  416.083   3.8048  411.248   3.7844 4.835083 5.366355 
1 1 1    7   24   -6 o   81.162   2.6841  1914.44  114.238  1929.21  135.897  1878.88  210.919   81.714   2.8796   80.610   4.5304 1.104019 5.368130 
1 1 1    7   25   -6 o  138.721   2.0475  5558.76  164.043  5558.76  164.043   0.0000   0.0000  138.721   2.0475  ?   ?       ?      ? 
1 1 1    7   26   -6 o  144.768   1.8353  6056.42  153.426  6121.79  215.897  5989.74  218.072  145.558   2.5682  143.978   2.6225 1.580261 3.670586 
1 1 1    7   27   -6 o   9.7446   4.9025 -385.3854  124.560 -385.3854  124.560   0.0000   0.0000   9.7446   4.9025  ?   ?       ?      ? 
1 1 1    7   28   -6 o  243.162   1.6523 17009.75  220.191 16847.96  270.872 17324.94  378.068  241.489   1.9421  244.834   2.6737 -3.344925 3.304632 
1 1 1    7   29   -6 o  269.693   1.3287 21009.06  205.218 21052.06  311.172 20975.97  273.004  269.929   1.9960  269.458   1.7543 0.4712524 2.657351 
1 1 1    7   30   -6 o  145.618   1.5691  6087.89  127.752  5971.67  160.830  6286.59  210.294  143.761   1.9370  147.475   2.4690 -3.714539 3.138178 
1 1 1    7   31   -6 o  251.975   1.8165 18269.74  249.488 18615.41  433.171 18098.15  305.193  253.703   2.9563  250.247   2.1116 3.455536 3.633008 
1 1 1    7   32   -6 f  182.575   1.7107  9631.18  180.388   0.0000   0.0000  9631.18  180.388  ?   ?   182.575   1.7107      ?      ? 
1 1 1    7   33   -6 o  154.480   1.6527  6894.96  147.455   0.0000   0.0000  6894.96  147.455  ?   ?   154.480   1.6527      ?      ? 
1 1 1    7   34   -6 o  226.460   2.0725 14822.19  271.060   0.0000   0.0000 14822.19  271.060  ?   ?   226.460   2.0725      ?      ? 
1 1 1    7   35   -6 o  122.339   2.8273  4331.56  198.635  4289.08  266.462  4384.68  298.003  121.686   3.7915  122.992   4.1953 -1.306450 5.654693 
1 1 1    7   36   -6 o  212.263   1.9720 13027.29  240.437 13102.51  359.722 12966.54  323.254  212.798   2.9269  211.729   2.6435 1.068207 3.943988 
1 1 1    7   37   -6 o  329.906   2.3595 31475.13  449.559   0.0000   0.0000 31475.13  449.559  ?   ?   329.906   2.3595      ?      ? 
1 1 1    7   38   -6 o  187.860   1.8636 10201.77  202.195   0.0000   0.0000 10201.77  202.195  ?   ?   187.860   1.8636      ?      ? 
1 1 1    7   39   -6 o  113.379   2.2115  3744.41  142.976  3594.19  217.916  3857.95  189.456  111.338   3.3889  115.420   2.8421 -4.082161 4.422942 
1 1 1    7   40   -6 o  114.984   3.2647  3835.30  216.806   0.0000   0.0000  3835.30  216.806  ?   ?   114.984   3.2647      ?      ? 
1 1 1    7   41   -6 o  119.646   2.8136  4217.29  176.377  4287.46  210.283  4050.78  323.922  121.561   2.9952  117.732   4.7639 3.828178 5.627226 
1 1 1    7   42   -6 o   36.561   9.6979  424.643  208.137   0.0000   0.0000  424.643  208.137  ?   ?    36.561   9.6979      ?      ? 
1 1 1    7   43   -6 o   66.729   5.3644  1317.03  206.738   0.0000   0.0000  1317.03  206.738  ?   ?    66.729   5.3644      ?      ? 
1 1 1    7   44   -6 o   62.959   5.2260  1178.43  190.026   0.0000   0.0000  1178.43  190.026  ?   ?    62.959   5.2260      ?      ? 
1 1 1    7   45   -6 o   59.195   5.5385  1054.51  189.347   0.0000   0.0000  1054.51  189.347  ?   ?    59.195   5.5385      ?      ? 
1 1 1    7   46   -6 o   70.389   4.7181  1484.03  191.805   0.0000   0.0000  1484.03  191.805  ?   ?    70.389   4.7181      ?      ? 
1 1 1    7   47   -6 o   94.638   3.2001  2637.43  174.911   0.0000   0.0000  2637.43  174.911  ?   ?    94.638   3.2001      ?      ? 
1 1 1    7   48   -6 o   23.402   9.1216  152.887  177.764   0.0000   0.0000  152.887  177.764  ?   ?    23.402   9.1216      ?      ? 
1 1 1    7   49   -6 o   14.327   6.9532 -243.6705  180.109   0.0000   0.0000 -243.6705  180.109  ?   ?    14.327   6.9532      ?      ? 
1 1 1    7   50   -6 o   25.874   9.4482  236.560  183.753   0.0000   0.0000  236.560  183.753  ?   ?    25.874   9.4482      ?      ? 
1 1 1    7    0   -7 o  272.628   1.6682 21539.07  246.255 21671.90  300.485 21267.38  429.732  273.925   1.8996  271.330   2.7429 -0.000000 0.000000 
1 1 1    7    1   -7 o  116.742   1.1713  3940.92   78.614  3991.96  106.585  3880.01  116.419  117.573   1.5697  115.912   1.7390 1.660919 2.342669 
1 1 1    7    2   -7 o  187.165   1.1454 10118.13  123.778 10206.30  173.540 10026.81  176.598  187.995   1.5983  186.335   1.6410 1.660614 2.290749 
1 1 1    7    3   -7 o  224.238   1.2126 14524.48  157.009 14265.65  223.053 14778.68  221.048  222.258   1.7377  226.219   1.6919 -3.961548 2.425280 
1 1 1    7    4   -7 o  461.940   2.3756 61686.88  554.110 61521.37  1091.64 61744.32  643.120  461.500   4.0956  462.380   2.4083 -0.8797302 4.751218 
1 1 1    7    5   -7 o  302.980   1.4795 26508.85  258.873 26117.15  364.743 26906.44  367.476  300.725   2.1001  305.235   2.0845 -4.510406 2.958981 
1 1 1    7    6   -7 o  464.285   1.9753 62255.21  529.676 61929.17  747.613 62583.80  750.545  463.065   2.7954  465.506   2.7917 -2.441132 3.950691 
1 1 1    7    7   -7 o  382.758   2.0179 42502.93  381.502 42682.16  438.334 41943.07  774.713  384.443   1.9742  381.074   3.5200 3.369263 4.035843 
1 1 1    7    8   -7 o  528.700   2.2588 80727.73  689.689 80243.51  970.707 81221.38  980.097  527.099   3.1887  530.301   3.2001 -3.201721 4.517544 
1 1 1    7    9   -7 o  214.385   1.3372 13337.48  135.538 13160.83  292.813 13385.65  152.906  213.474   2.3750  215.296   1.2297 -1.822586 2.674454 
1 1 1    7   10   -7 o  258.224   1.2146 19264.35  177.300 19296.43  228.536 19215.87  280.996  258.495   1.5308  257.953   1.8861 0.5426025 2.429170 
1 1 1    7   11   -7 o  394.436   2.1359 44971.00  458.386 44822.67  794.500 45045.01  561.211  393.939   3.4920  394.934   2.4605 -0.9953918 4.271799 
1 1 1    7   12   -7 o  622.662   3.0690 112755.80  943.201 113470.10  1083.94 110528.30  1914.07  626.802   2.9943  618.522   5.3582 8.280273 6.138061 
1 1 1    7   13   -7 o  351.954   1.5128 35731.25  302.351 36004.36  473.708 35543.51  392.756  353.085   2.3230  350.823   1.9384 2.261963 3.025517 
1 1 1    7   14   -7 o  235.137   1.6732 15965.34  211.872 15974.26  374.997 15961.16  256.786  235.181   2.7608  235.093   1.8912 0.8750916E-01 3.346488 
1 1 1    7   15   -7 o  502.044   2.0318 72627.69  575.993 72002.99  738.956 73594.84  919.467  499.308   2.5625  504.780   3.1539 -5.471802 4.063690 
1 1 1    7   16   -7 o  362.714   1.5656 37924.64  320.272 37670.51  410.155 38321.68  512.671  361.164   1.9663  364.263   2.4369 -3.099701 3.131289 
1 1 1    7   17   -7 o  186.014   1.7975  9992.69  193.109  9992.69  193.109   0.0000   0.0000  186.014   1.7975  ?   ?       ?      ? 
1 1 1    7   18   -7 o  172.250   1.2885  8566.22  128.163  8442.03  179.215  8696.21  183.356  170.972   1.8149  173.527   1.8295 -2.554718 2.577060 
1 1 1    7   19   -7 o  173.759   1.3797  8750.24  136.279  8898.90  178.461  8542.29  211.072  175.537   1.7603  171.980   2.1250 3.557037 2.759431 
1 1 1    7   20   -7 o  137.654   1.5036  5490.11  118.599  5324.94  177.806  5622.50  159.184  135.781   2.2674  139.526   1.9754 -3.745316 3.007197 
1 1 1    7   21   -7 o  269.507   2.0137 20978.33  313.437   0.0000   0.0000 20978.33  313.437  ?   ?   269.507   2.0137      ?      ? 
1 1 1    7   22   -7 o  185.508   1.8742  9939.34  200.804   0.0000   0.0000  9939.34  200.804  ?   ?   185.508   1.8742      ?      ? 
1 1 1    7   23   -7 o   96.651   2.5670  2679.97  142.753  3001.86  212.089  2413.37  193.021  101.919   3.6031   91.383   3.6572 10.53568 5.134003 
1 1 1    7   24   -7 o  326.764   2.2377 30854.89  422.289 30937.68  596.643 30771.79  597.771  327.204   3.1573  326.325   3.1718 0.8794556 4.475304 
1 1 1    7   25   -7 o  237.112   2.0577 16240.82  281.790   0.0000   0.0000 16240.82  281.790  ?   ?   237.112   2.0577      ?      ? 
1 1 1    7   26   -7 o  417.400   2.3010 50545.64  528.629 49746.15  891.714 50978.86  656.412  414.782   3.7224  420.018   2.7060 -5.236298 4.601994 
1 1 1    7   27   -7 o   12.036   4.2274 -360.1420  105.435 -407.8146  135.887 -288.0280  167.130   10.296   5.1719   13.776   6.6886 -3.480084 8.454877 
1 1 1    7   28   -7 f   13.371   4.6581 -334.2634  115.746 -307.7270  196.316 -348.4031  143.303   15.321   7.3929   11.420   5.6690 3.901622 9.316195 
1 1 1    7   29   -7 f  153.760   1.4284  6824.12  126.738  6667.48  174.980  6996.98  183.817  151.906   1.9945  155.612   2.0453 -3.705902 2.856768 
1 1 1    7   30   -7 o  329.820   1.9956 31388.69  359.139 31654.43  620.685 31254.94  440.338  330.796   3.2488  328.843   2.3185 1.953217 3.991292 
1 1 1    7   31   -7 o  203.558   1.7270 11807.51  170.649 12295.01  360.002 11666.22  193.806  206.171   3.0234  200.945   1.6700 5.225861 3.453913 
1 1 1    7   32   -7 o  263.174   1.7558 20012.33  266.870   0.0000   0.0000 20012.33  266.870  ?   ?   263.174   1.7558      ?      ? 
1 1 1    7   33   -7 o  211.248   1.6712 12874.38  181.080 12958.58  348.870 12843.33  211.853  211.667   2.8538  210.830   1.7399 0.8373413 3.342364 
1 1 1    7   34   -7 o   53.838   3.9972  820.002  111.004  892.752  215.763  793.815  129.450   55.344   6.7502   52.332   4.2830 3.012192 7.994357 
1 1 1    7   35   -7 o  190.890   1.5077 10527.82  166.217   0.0000   0.0000 10527.82  166.217  ?   ?   190.890   1.5077      ?      ? 
1 1 1    7   36   -7 o  317.018   1.9739 29028.77  349.364 29260.95  573.847 28892.02  440.384  317.948   3.1250  316.087   2.4123 1.860962 3.947813 
1 1 1    7   37   -7 o  148.738   1.5107  6387.44  128.850  6470.65  194.732  6322.63  171.849  149.588   2.2540  147.888   2.0120 1.700134 3.021368 
1 1 1    7   38   -7 o  113.683   1.9653  3741.13  129.035  3770.48  182.543  3711.83  182.422  114.130   2.7694  113.236   2.7894 0.8931427 3.930651 
1 1 1    7   39   -7 o  114.796   2.3282  3808.52  153.973  3988.10  227.688  3657.19  209.010  117.272   3.3617  112.321   3.2220 4.951538 4.656418 
1 1 1    7   40   -7 o  192.917   2.2733 10772.31  253.288   0.0000   0.0000 10772.31  253.288  ?   ?   192.917   2.2733      ?      ? 
1 1 1    7   41   -7 o   76.704   4.6726  1719.86  206.995   0.0000   0.0000  1719.86  206.995  ?   ?    76.704   4.6726      ?      ? 
1 1 1    7   42   -7 o   32.745   7.4104  305.944  152.649  238.439  187.393  439.085  263.173   28.462   9.6073   37.029   11.285 -8.566986 14.82083 
1 1 1    7   43   -7 o   28.950   5.7700  258.417  102.811  183.393  140.522  344.833  150.815   24.901   8.3199   32.999   7.9971 -8.097868 11.54009 
1 1 1    7   44   -7 o   78.310   3.6891  1798.64  166.850   0.0000   0.0000  1798.64  166.850  ?   ?    78.310   3.6891      ?      ? 
1 1 1    7   45   -7 o   82.233   3.3827  1985.13  160.657   0.0000   0.0000  1985.13  160.657  ?   ?    82.233   3.3827      ?      ? 
1 1 1    7   46   -7 o  106.764   2.6980  3333.24  166.358   0.0000   0.0000  3333.24  166.358  ?   ?   106.764   2.6980      ?      ? 
1 1 1    7   47   -7 o   53.848   4.8303  876.003  150.221   0.0000   0.0000  876.003  150.221  ?   ?    53.848   4.8303      ?      ? 
1 1 1    7   48   -7 o   36.996   5.5602  422.025  118.804   0.0000   0.0000  422.025  118.804  ?   ?    36.996   5.5602      ?      ? 
1 1 1    7   49   -7 o   66.333   4.6639  1339.26  178.673   0.0000   0.0000  1339.26  178.673  ?   ?    66.333   4.6639      ?      ? 
1 1 1    7   50   -7 o   48.036   6.7939  755.524  188.484   0.0000   0.0000  755.524  188.484  ?   ?    48.036   6.7939      ?      ? 
1 1 1    7    0   -8 o  252.689   1.8068 18444.46  263.605 18511.86  375.372 18378.89  370.267  253.144   2.5681  252.234   2.5423 -0.000000 0.000000 
1 1 1    7    1   -8 o  406.820   2.1467 47976.46  438.452 48158.47  507.729 47442.64  869.506  408.359   2.1528  405.281   3.7148 3.077698 4.293488 
1 1 1    7    2   -8 o  374.870   1.6517 40584.59  357.596 40378.69  506.018 40790.01  505.416  373.920   2.3432  375.820   2.3285 -1.899872 3.303411 
1 1 1    7    3   -8 o  756.070   3.0056 165122.41  1312.39 164915.00  1849.06 165333.00  1863.02  755.593   4.2372  756.548   4.2638 -0.9553833 6.011138 
1 1 1    7    4   -8 o  783.057   3.6976 177280.09  1437.93 177407.09  1654.94 176888.80  2904.71  783.719   3.6562  782.394   6.4282 1.324646 7.395288 
1 1 1    7    5   -8 o   94.594   1.4559  2583.14   79.484  2609.60  114.831  2558.80  110.131   95.059   2.0916   94.130   2.0258 0.9296265 2.911819 
1 1 1    7    6   -8 o  250.356   1.3230 18100.18  191.297   0.0000   0.0000 18100.18  191.297  ?   ?   250.356   1.3230      ?      ? 
1 1 1    7    7   -8 o  861.508   4.4495 214984.91  2098.62 212803.80  3585.54 216121.41  2588.28  858.090   7.2350  864.927   5.1814 -6.836853 8.898973 
1 1 1    7    8   -8 o  446.453   2.3108 57618.66  562.012 57414.29  971.680 57721.41  688.944  445.845   3.7736  447.061   2.6683 -1.216003 4.621657 
1 1 1    7    9   -8 o  705.243   3.0289 143655.80  1233.58 142856.41  1730.77 144481.20  1758.67  703.250   4.2613  707.235   4.3056 -3.985779 6.057815 
1 1 1    7   10   -8 o  609.013   2.3799 106820.80  821.066 105594.30  1059.40 108665.60  1299.30  604.659   3.0337  613.368   3.6678 -8.709473 4.759797 
1 1 1    7   11   -8 o  306.082   1.9778 26952.22  332.584 27397.56  567.824 26719.65  410.337  307.993   3.1922  304.171   2.3358 3.822266 3.955504 
1 1 1    7   12   -8 o   81.799   1.7690  1932.42   83.244  1932.46  112.843  1932.38  123.299   81.800   2.3886   81.798   2.6099 0.2548218E-02 3.537939 
1 1 1    7   13   -8 o  672.358   4.3191 130634.20  1676.27 130611.60  2332.25 130658.30  2410.90  672.305   6.0065  672.410   6.2081 -0.1046143 8.638243 
1 1 1    7   14   -8 o  430.737   1.7794 53478.92  432.975 53085.45  556.080 54084.74  690.003  428.734   2.2458  432.739   2.7608 -4.005188 3.558881 
1 1 1    7   15   -8 o  220.029   1.6112 13974.96  196.708 14006.69  327.451 13957.04  246.053  220.221   2.5746  219.837   1.9379 0.3836975 3.222420 
1 1 1    7   16   -8 o  148.023   1.2989  6348.72  109.871  6177.40  166.813  6479.98  146.018  146.253   1.9749  149.794   1.6878 -3.540955 2.597856 
1 1 1    7   17   -8 o  188.247   1.9139 10236.33  208.053 10368.54  293.475 10102.75  294.994  189.469   2.6819  187.025   2.7310 2.444839 3.827711 
1 1 1    7   18   -8 o  380.575   2.2528 41910.10  461.676 42038.45  559.993 41637.73  815.736  381.508   2.5415  379.643   3.7204 1.865051 4.505630 
1 1 1    7   19   -8 o  404.482   1.8516 47255.69  432.554 47084.01  610.963 47428.24  612.488  403.745   2.6201  405.219   2.6171 -1.473328 3.703289 
1 1 1    7   20   -8 o  413.834   2.3354 49232.66  526.118 50202.46  916.103 48755.39  642.669  416.830   3.8054  410.837   2.7085 5.992706 4.670882 
1 1 1    7   21   -8 o  356.162   2.2899 36663.02  470.832 36036.41  672.187 37266.57  659.702  353.170   3.2955  359.154   3.1804 -5.983643 4.579878 
1 1 1    7   22   -8 o  378.033   2.5340 41282.39  553.248   0.0000   0.0000 41282.39  553.248  ?   ?   378.033   2.5340      ?      ? 
1 1 1    7   23   -8 o  153.855   1.9039  6919.40  158.724  6602.59  274.195  7079.06  194.653  151.162   3.1407  156.548   2.1529 -5.385193 3.807795 
1 1 1    7   24   -8 o  199.506   1.5443 11628.56  157.292 11218.10  302.051 11781.28  184.246  197.046   2.6542  201.966   1.5796 -4.919586 3.088610 
1 1 1    7   25   -8 o  169.576   2.1394  8338.21  208.085  8570.13  280.621  8054.92  310.142  172.213   2.8214  166.939   3.2167 5.273956 4.278776 
1 1 1    7   26   -8 o   91.630   2.7666  2426.42  146.407  2426.42  146.407   0.0000   0.0000   91.630   2.7666  ?   ?       ?      ? 
1 1 1    7   27   -8 o  157.746   1.4025  7193.71  127.557  7104.82  185.252  7273.84  175.896  156.817   2.0454  158.676   1.9194 -1.858917 2.804965 
1 1 1    7   28   -8 o   83.286   2.8998  2009.45  139.228  1975.16  202.155  2040.39  192.032   82.603   4.2374   83.969   3.9598 -1.365814 5.799646 
1 1 1    7   29   -8 o  174.719   1.6501  8870.16  156.145  8685.46  271.831  8961.11  190.756  173.329   2.7155  176.110   1.8755 -2.781662 3.300159 
1 1 1    7   30   -8 o   76.070   3.2495  1748.35  127.418  1515.27  233.757  1846.88  151.981   72.243   5.6025   79.898   3.2936 -7.655235 6.498936 
1 1 1    7   31   -8 o  197.406   1.6439 11373.89  167.886 11017.55  315.939 11514.11  198.183  195.186   2.8027  199.627   1.7189 -4.440811 3.287802 
1 1 1    7   32   -8 o  186.703   1.6878 10005.29  166.748 10256.32  306.429  9899.68  198.752  188.314   2.8175  185.092   1.8593 3.222702 3.375647 
1 1 1    7   33   -8 o   79.559   3.0759  1819.26  129.835  1873.75  237.682  1796.08  155.006   80.343   5.1223   78.774   3.4070 1.568703 6.151878 
1 1 1    7   34   -8 o   18.958   5.7775 -34.4202  115.691   50.425  177.401 -97.2058  152.607   21.725   8.8903   16.191   7.3812 5.534149 11.55505 
1 1 1    7   35   -8 o  369.024   2.0949 39463.54  389.087 39277.73  769.689 39527.32  450.948  368.260   3.6189  369.788   2.1115 -1.528046 4.189842 
1 1 1    7   36   -8 o  228.381   2.2183 15102.96  292.510 14852.42  416.245 15347.41  411.146  226.501   3.1819  230.261   3.0917 -3.759735 4.436565 
1 1 1    7   37   -8 o  137.933   2.3055  5530.78  169.214  5458.75  304.949  5562.83  203.401  137.200   3.8485  138.666   2.5398 -1.466354 4.610981 
1 1 1    7   38   -8 o  211.088   1.8611 12963.50  218.084 12651.12  360.099 13144.44  274.060  209.000   2.9832  213.175   2.2260 -4.174973 3.722199 
1 1 1    7   39   -8 o  116.732   3.0319  3967.13  198.374  3978.74  252.088  3948.25  321.486  117.059   3.7287  116.405   4.7819 0.6540527 6.063855 
1 1 1    7   40   -8 o  121.116   2.4882  4290.27  161.671  4182.24  286.042  4340.98  195.977  119.851   4.1324  122.380   2.7727 -2.528877 4.976410 
1 1 1    7   41   -8 o   73.062   3.3645  1552.00  141.972   0.0000   0.0000  1552.00  141.972  ?   ?    73.062   3.3645      ?      ? 
1 1 1    7   42   -8 o   92.173   4.1519  2485.52  221.023   0.0000   0.0000  2485.52  221.023  ?   ?    92.173   4.1519      ?      ? 
1 1 1    7   43   -8 o   61.070   4.1660  1103.85  142.970  1153.31  232.467  1073.77  181.316   61.946   6.4977   60.193   5.2156 1.753471 8.332025 
1 1 1    7   44   -8 o   65.559   4.4621  1271.65  168.950   0.0000   0.0000  1271.65  168.950  ?   ?    65.559   4.4621      ?      ? 
1 1 1    7   45   -8 o   55.639   4.3101  932.261  134.770  1000.14  220.112  891.554  170.457   56.928   6.6947   54.350   5.4304 2.578373 8.620241 
1 1 1    7   46   -8 o   41.506   7.6973  563.063  177.721   0.0000   0.0000  563.063  177.721  ?   ?    41.506   7.6973      ?      ? 
1 1 1    7   47   -8 o   52.460   5.0244  835.587  152.230   0.0000   0.0000  835.587  152.230  ?   ?    52.460   5.0244      ?      ? 
1 1 1    7   48   -8 o   87.139   3.1535  2241.93  158.706   0.0000   0.0000  2241.93  158.706  ?   ?    87.139   3.1535      ?      ? 
1 1 1    7   49   -8 o   15.922   7.1711 -29.9788  138.837   0.0000   0.0000 -29.9788  138.837  ?   ?    15.922   7.1711      ?      ? 
1 1 1    7   50   -8 o   15.720   7.3000 -77.3341  159.183   0.0000   0.0000 -77.3341  159.183  ?   ?    15.720   7.3000      ?      ? 
1 1 1    7    0   -9 o  259.216   1.8944 19407.06  283.572 19407.06  283.572   0.0000   0.0000  259.216   1.8944  259.216   1.8944 -0.000000 0.000000 
1 1 1    7    1   -9 o  337.495   1.6020 32894.97  312.260 32766.53  441.786 33023.21  441.420  336.837   2.2709  338.154   2.2602 -1.316864 3.204036 
1 1 1    7    2   -9 o  416.126   2.0957 50186.68  436.385 49659.34  869.833 50364.05  504.463  414.646   3.6322  417.607   2.0916 -2.961151 4.191402 
1 1 1    7    3   -9 f  346.833   1.8436 34551.57  318.098 34369.87  365.860 35114.40  643.908  344.985   1.8362  348.682   3.1975 -3.697510 3.687236 
1 1 1    7    4   -9 o  467.526   1.9353 63127.45  522.571 63140.66  738.280 63114.18  739.776  467.575   2.7339  467.477   2.7400 0.9814453E-01 3.870662 
1 1 1    7    5   -9 o  693.976   2.6263 139159.41  1030.04 139375.91  1327.00 138831.30  1633.77  694.670   3.3075  693.281   4.0803 1.389771 5.252519 
1 1 1    7    6   -9 o  1164.47   4.3011 391438.19  2828.47 390087.69  3634.17 393513.00  4504.67  1161.99   5.4152  1166.94   6.6839 -4.948975 8.602273 
1 1 1    7    7   -9 o  313.914   1.4341 28472.06  253.426 28521.11  324.146 28394.92  406.460  314.264   1.7859  313.563   2.2444 0.7005615 2.868273 
1 1 1    7    8   -9 o  505.237   2.0029 73575.81  572.957 72988.05  739.096 74460.95  907.008  502.719   2.5456  507.754   3.0929 -5.034454 4.005795 
1 1 1    7    9   -9 f  469.992   2.1538 63801.63  584.353 63942.63  814.517 63652.09  838.818  470.528   2.9973  469.456   3.0938 1.072449 4.307571 
1 1 1    7   10   -9 o  291.620   1.3402 24523.50  220.253 24397.13  281.782 24721.96  353.125  290.657   1.6786  292.582   2.0898 -1.924683 2.680444 
1 1 1    7   11   -9 f   56.701   2.3030  1003.24   65.891  1103.06   78.694  769.121  120.519   61.802   2.2047   51.601   4.0440 10.20115 4.605974 
1 1 1    7   12   -9 o  329.281   2.3423 31315.45  445.317 31253.70  622.141 31380.33  637.692  328.949   3.2747  329.613   3.3498 -0.6641541 4.684557 
1 1 1    7   13   -9 o  162.179   1.5934  7603.68  148.048  7535.21  223.495  7657.21  197.627  161.527   2.3957  162.831   2.1015 -1.304535 3.186800 
1 1 1    7   14   -9 o  451.362   2.5631 58834.78  620.240 58812.59  748.824 58883.28  1106.96  451.251   2.8733  451.473   4.2454 -0.2225647 5.126298 
1 1 1    7   15   -9 o  788.239   3.0211 179436.20  1343.07 179208.80  1722.42 179789.00  2145.21  787.639   3.7864  788.839   4.7087 -1.199707 6.042207 
1 1 1    7   16   -9 o  258.637   1.5616 19142.73  202.200 18968.24  233.074 19673.62  406.538  256.284   1.5747  260.989   2.6971 -4.705170 3.123104 
1 1 1    7   17   -9 f  507.169   2.8316 74250.26  774.234 74137.78  939.040 74489.03  1368.22  506.612   3.2094  507.725   4.6660 -1.112457 5.663175 
1 1 1    7   18   -9 o  267.194   1.6403 20633.52  242.317 20573.19  406.131 20666.87  301.951  266.884   2.6349  267.505   1.9544 -0.6210022 3.280594 
1 1 1    7   19   -9 o  490.808   2.1709 69584.67  615.352 69062.12  866.524 70116.27  874.004  488.949   3.0685  492.666   3.0717 -3.717316 4.341788 
1 1 1    7   20   -9 o  309.874   1.8754 27753.76  316.757 27686.83  547.196 27787.49  388.459  309.577   3.0605  310.171   2.1685 -0.5944214 3.750851 
1 1 1    7   21   -9 o  431.585   2.9107 53811.65  725.529   0.0000   0.0000 53811.65  725.529  ?   ?   431.585   2.9107      ?      ? 
1 1 1    7   22   -9 o  141.317   2.1418  5768.53  174.804   0.0000   0.0000  5768.53  174.804  ?   ?   141.317   2.1418      ?      ? 
1 1 1    7   23   -9 o  332.406   1.8567 31915.24  356.445   0.0000   0.0000 31915.24  356.445  ?   ?   332.406   1.8567      ?      ? 
1 1 1    7   24   -9 o  313.035   1.6111 28308.08  291.266 28209.25  409.891 28408.88  413.965  312.483   2.2712  313.586   2.2857 -1.102905 3.222241 
1 1 1    7   25   -9 o  103.454   2.6242  3092.68  156.792  3092.68  156.792   0.0000   0.0000  103.454   2.6242  ?   ?       ?      ? 
1 1 1    7   26   -9 f  176.453   1.8582  9069.35  176.002  8802.98  310.948  9194.92  213.494  174.506   3.0853  178.400   2.0721 -3.893646 3.716494 
1 1 1    7   27   -9 o  260.951   1.7326 19743.45  229.097 19544.65  448.035 19813.84  266.584  260.010   2.9836  261.891   1.7625 -1.880737 3.465267 
1 1 1    7   28   -9 o  372.404   2.5065 40085.04  539.099 40085.04  539.099   0.0000   0.0000  372.404   2.5065  ?   ?       ?      ? 
1 1 1    7   29   -9 o   93.062   2.5312  2504.55  133.255  2498.07  171.822  2514.34  211.081   92.931   3.2014   93.194   3.9217 -0.2630234 5.062476 
1 1 1    7   30   -9 o  255.607   1.8422 18937.72  257.485 18740.83  440.947 19039.60  317.179  254.546   2.9994  256.669   2.1397 -2.122604 3.684366 
1 1 1    7   31   -9 o  177.552   2.3461  9146.75  239.331  9387.19  324.933  8861.62  353.844  180.130   3.1234  174.974   3.5015 5.156876 4.692103 
1 1 1    7   32   -9 o  249.895   1.7689 18053.27  243.841 18061.80  411.062 18048.63  302.887  249.895   2.8482  249.895   2.0986 0.2899170E-03 3.537843 
1 1 1    7   33   -9 f  140.007   1.7170  5678.58  138.201  5539.15  204.050  5796.74  187.846  138.407   2.5527  141.606   2.2969 -3.199417 3.433904 
1 1 1    7   34   -9 f  136.644   2.2278  5397.55  175.816   0.0000   0.0000  5397.55  175.816  ?   ?   136.644   2.2278      ?      ? 
1 1 1    7   35   -9 f   48.123   6.4846  765.558  155.062  543.663  289.749  854.612  183.560   42.063   11.567   54.182   5.8659 -12.11982 12.96924 
1 1 1    7   36   -9 o  115.559   2.4425  3862.25  163.014   0.0000   0.0000  3862.25  163.014  ?   ?   115.559   2.4425      ?      ? 
1 1 1    7   37   -9 o   98.403   4.1117  2810.47  233.678   0.0000   0.0000  2810.47  233.678  ?   ?    98.403   4.1117      ?      ? 
1 1 1    7   38   -9 o   65.702   5.1681  1258.31  196.107   0.0000   0.0000  1258.31  196.107  ?   ?    65.702   5.1681      ?      ? 
1 1 1    7   39   -9 f  133.243   2.9687  5145.95  228.456   0.0000   0.0000  5145.95  228.456  ?   ?   133.243   2.9687      ?      ? 
1 1 1    7   40   -9 o  164.222   2.4392  7812.14  231.346   0.0000   0.0000  7812.14  231.346  ?   ?   164.222   2.4392      ?      ? 
1 1 1    7   41   -9 o  106.997   3.3787  3330.66  208.786   0.0000   0.0000  3330.66  208.786  ?   ?   106.997   3.3787      ?      ? 
1 1 1    7   42   -9 o  126.315   2.7929  4637.10  203.747   0.0000   0.0000  4637.10  203.747  ?   ?   126.315   2.7929      ?      ? 
1 1 1    7   43   -9 f   20.398   8.6735   27.141  178.633   0.0000   0.0000   27.141  178.633  ?   ?    20.398   8.6735      ?      ? 
1 1 1    7   44   -9 o   18.568   8.5005 -98.1403  205.152   0.0000   0.0000 -98.1403  205.152  ?   ?    18.568   8.5005      ?      ? 
1 1 1    7   45   -9 o   42.418   7.6356  581.294  180.181   0.0000   0.0000  581.294  180.181  ?   ?    42.418   7.6356      ?      ? 
1 1 1    7   46   -9 o   66.386   4.7909  1327.82  183.686   0.0000   0.0000  1327.82  183.686  ?   ?    66.386   4.7909      ?      ? 
1 1 1    7   47   -9 o   22.045   9.1445   97.584  191.071   0.0000   0.0000   97.584  191.071  ?   ?    22.045   9.1445      ?      ? 
1 1 1    7   48   -9 o   92.354   3.5246  2534.74  187.998   0.0000   0.0000  2534.74  187.998  ?   ?    92.354   3.5246      ?      ? 
1 1 1    7   49   -9 o   42.594   8.2793  631.967  196.333   0.0000   0.0000  631.967  196.333  ?   ?    42.594   8.2793      ?      ? 
1 1 1    7    0  -10 o  136.400   1.7131  5375.22  134.904  5375.22  134.904   0.0000   0.0000  136.400   1.7131  136.400   1.7131 -0.000000 0.000000 
1 1 1    7    1  -10 o  1086.96   5.0940 341423.59  3024.14 341354.31  3715.29 341559.69  5205.93  1086.94   5.9184  1086.98   8.2926 -0.3759766E-01 10.18799 
1 1 1    7    2  -10 o  358.685   2.2755 37155.11  471.392   0.0000   0.0000 37155.11  471.392  ?   ?   358.685   2.2755      ?      ? 
1 1 1    7    3  -10 o  857.114   4.1531 212851.41  1926.45 213964.00  2348.68 210563.80  3367.73  860.629   4.7252  853.600   6.8312 7.029602 8.306212 
1 1 1    7    4  -10 o  115.653   2.0078  3854.98  133.295  3793.02  178.256  3933.55  200.760  114.602   2.6932  116.704   2.9786 -2.102180 4.015623 
1 1 1    7    5  -10 f  518.587   2.9783 77689.08  837.734 77702.35  1022.18 77661.91  1462.03  518.679   3.4123  518.494   4.8823 0.1854858 5.956554 
1 1 1    7    6  -10 o  399.168   2.3728 46055.69  514.877 46126.05  629.815 45913.92  894.007  399.640   2.7287  398.696   3.8825 0.9445190 4.745511 
1 1 1    7    7  -10 o  612.389   4.0079 108352.70  1417.50 108384.10  1997.60 108320.80  2011.76  612.479   5.6472  612.298   5.6889 0.1815186 8.015878 
1 1 1    7    8  -10 o  281.913   1.7759 22906.66  271.410 22820.14  330.682 23085.25  475.097  281.103   2.0368  282.721   2.9096 -1.617889 3.551721 
1 1 1    7    9  -10 o  336.248   2.1879 32654.98  424.885 32607.28  601.411 32702.52  600.347  336.003   3.0991  336.494   3.0892 -0.4905090 4.375800 
1 1 1    7   10  -10 o  312.478   1.4076 28247.95  248.102 28431.62  318.875 27966.18  394.944  313.770   1.7596  311.186   2.1975 2.583832 2.815207 
1 1 1    7   11  -10 o  631.525   2.7052 115138.70  983.591 114416.60  1337.18 115990.00  1451.90  629.375   3.6787  633.674   3.9672 -4.299011 5.410337 
1 1 1    7   12  -10 o  250.861   1.5382 18321.84  180.010 17925.08  395.164 18425.72  202.208  249.126   2.7465  252.596   1.3861 -3.469788 3.076402 
1 1 1    7   13  -10 o  416.480   1.7036 49987.28  400.560 49588.44  513.778 50605.45  639.632  414.372   2.1468  418.588   2.6458 -4.216461 3.407231 
1 1 1    7   14  -10 o  631.519   2.4653 115277.80  877.145 115551.50  1123.77 114851.10  1403.18  632.500   3.0763  630.539   3.8532 1.961060 4.930584 
1 1 1    7   15  -10 o  426.905   1.7401 52725.47  418.667 53048.00  537.243 52226.72  668.086  428.578   2.1705  425.232   2.7203 3.345734 3.480108 
1 1 1    7   16  -10 o  683.027   2.6576 134908.20  1024.15 135399.41  1315.90 134153.59  1631.05  684.636   3.3280  681.418   4.1445 3.218384 5.315251 
1 1 1    7   17  -10 o  232.495   1.7350 15680.53  218.901 15412.46  380.009 15813.65  267.794  230.993   2.8484  233.997   1.9816 -3.003433 3.469901 
1 1 1    7   18  -10 o   91.999   2.8899  2504.14  133.324  2327.37  260.584  2566.82  155.171   89.732   5.0282   94.266   2.8502 -4.533463 5.779846 
1 1 1    7   19  -10 o  164.269   2.0280  7783.15  179.225  7762.29  216.907  7828.03  318.188  163.934   2.2910  164.605   3.3470 -0.6714325 4.055975 
1 1 1    7   20  -10 o  349.166   1.9881 35421.86  350.721 34803.31  687.677 35639.30  407.735  347.060   3.4308  351.272   2.0098 -4.211395 3.976125 
1 1 1    7   21  -10 o  357.521   2.0157 36919.83  416.211   0.0000   0.0000 36919.83  416.211  ?   ?   357.521   2.0157      ?      ? 
1 1 1    7   22  -10 o  157.920   2.3751  7204.29  216.625   0.0000   0.0000  7204.29  216.625  ?   ?   157.920   2.3751      ?      ? 
1 1 1    7   23  -10 o  142.229   1.8075  5843.10  148.471   0.0000   0.0000  5843.10  148.471  ?   ?   142.229   1.8075      ?      ? 
1 1 1    7   24  -10 o   95.016   3.0252  2605.15  164.082  2571.58  215.537  2651.42  253.042   94.301   3.9575   95.731   4.5767 -1.429893 6.050478 
1 1 1    7   25  -10 o  416.032   2.4981 50157.18  553.373 50333.89  665.055 49759.54  997.661  417.331   2.7593  414.733   4.1651 2.598083 4.996186 
1 1 1    7   26  -10 o  112.989   2.6621  3689.75  173.718  3689.75  173.718   0.0000   0.0000  112.989   2.6621  ?   ?       ?      ? 
1 1 1    7   27  -10 o  107.571   2.5680  3276.45  149.094  3545.86  267.570  3155.14  179.551  110.677   4.1860  104.464   2.9760 6.213326 5.136043 
1 1 1    7   28  -10 o  235.033   2.0512 15965.83  278.331 16596.32  397.843 15361.41  389.528  239.578   2.8753  230.487   2.9262 9.091003 4.102427 
1 1 1    7   29  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   30  -10 o   19.191   6.0952 -341.5886  161.549 -710.9080  220.296   88.083  237.615   12.710   6.4103   25.672   10.369 -12.96168 12.19040 
1 1 1    7   31  -10 o  269.122   2.2488 20968.17  344.796 21031.94  452.345 20879.74  532.676  269.654   2.9045  268.589   3.4339 1.064697 4.497563 
1 1 1    7   32  -10 o  242.343   1.8299 16917.65  248.840 17252.53  404.682 16714.06  315.545  244.227   2.8690  240.459   2.2721 3.768402 3.659773 
1 1 1    7   33  -10 o  186.727   2.2577 10079.30  243.475   0.0000   0.0000 10079.30  243.475  ?   ?   186.727   2.2577      ?      ? 
1 1 1    7   34  -10 o  113.655   3.3015  3739.26  216.711   0.0000   0.0000  3739.26  216.711  ?   ?   113.655   3.3015      ?      ? 
1 1 1    7   35  -10 o   67.007   4.8103  1303.96  186.158   0.0000   0.0000  1303.96  186.158  ?   ?    67.007   4.8103      ?      ? 
1 1 1    7   36  -10 o   43.876   8.9084  587.675  218.035   0.0000   0.0000  587.675  218.035  ?   ?    43.876   8.9084      ?      ? 
1 1 1    7   37  -10 o   23.121   6.7672   47.641  148.293   0.7792  219.634   86.903  201.035   22.357   9.5647   23.885   9.5759 -1.527929 13.53443 
1 1 1    7   38  -10 o   62.206   4.9456  1097.35  174.459  904.596  223.394  1398.69  279.313   55.458   6.9746   68.954   7.0137 -13.49517 9.891274 
1 1 1    7   39  -10 o  108.760   3.5484  3435.64  222.889   0.0000   0.0000  3435.64  222.889  ?   ?   108.760   3.5484      ?      ? 
1 1 1    7   40  -10 o  134.302   2.2800  5219.92  171.851  5322.41  279.252  5157.45  218.025  135.269   3.5745  133.336   2.8312 1.932663 4.559914 
1 1 1    7   41  -10 o  107.754   2.6893  3485.59  138.670  3210.67  288.671  3568.06  158.107  104.593   4.7788  110.916   2.4681 -6.323425 5.378511 
1 1 1    7   42  -10 o   83.421   3.5985  2033.09  173.370   0.0000   0.0000  2033.09  173.370  ?   ?    83.421   3.5985      ?      ? 
1 1 1    7   43  -10 o   36.557   6.1501  403.442  128.357  623.796  208.889  269.768  162.697   44.083   8.5129   29.032   8.8784 15.05154 12.30017 
1 1 1    7   44  -10 o   23.077   6.7737   88.218  144.958  101.793  234.708   79.848  184.312   24.288   10.110   21.866   9.0180 2.422064 13.54736 
1 1 1    7   45  -10 o   94.245   2.7487  2656.59  138.002  2564.36  245.937  2698.98  166.724   92.560   4.6006   95.930   3.0092 -3.370514 5.497392 
1 1 1    7   46  -10 o   63.875   3.9830  1214.94  146.937   0.0000   0.0000  1214.94  146.937  ?   ?    63.875   3.9830      ?      ? 
1 1 1    7   47  -10 o   36.532   7.5228  491.640  171.924  366.723  234.412  637.056  252.915   31.548   10.745   41.515   10.532 -9.966320 15.04557 
1 1 1    7   48  -10 o   52.336   6.2310  866.130  188.341   0.0000   0.0000  866.130  188.341  ?   ?    52.336   6.2310      ?      ? 
1 1 1    7   49  -10 o   45.169   5.7267  644.034  149.392   0.0000   0.0000  644.034  149.392  ?   ?    45.169   5.7267      ?      ? 
1 1 1    7    0  -11 o  1008.54   5.5127 294029.00  3209.39 287584.09  4565.29 300326.31  4512.70  997.594   7.9248  1019.48   7.6653 -0.000000 0.000000 
1 1 1    7    1  -11 o  558.299   2.8067 89924.38  854.967 90361.77  1476.53 89703.76  1048.65  559.296   4.5710  557.302   3.2580 1.993896 5.613308 
1 1 1    7    2  -11 o  612.569   3.0921 108468.10  1031.06 108618.80  1262.85 108166.90  1785.69  613.239   3.5656  611.899   5.0529 1.340393 6.184283 
1 1 1    7    3  -11 o  307.731   1.7446 27375.51  268.655 27295.56  536.519 27402.27  310.368  307.423   3.0218  308.038   1.7446 -0.6156311 3.489228 
1 1 1    7    4  -11 o  803.945   4.0640 187431.50  1772.04 188764.91  2165.89 184731.91  3081.84  808.362   4.6392  799.528   6.6741 8.833801 8.128074 
1 1 1    7    5  -11 o  412.970   2.2592 49336.38  505.815 49025.84  882.223 49488.45  617.361  411.988   3.7077  413.952   2.5823 -1.963776 4.518346 
1 1 1    7    6  -11 f  581.865   3.1059 97645.26  996.166 98321.17  1684.83 97281.98  1235.19  583.382   5.0006  580.347   3.6852 3.034485 6.211793 
1 1 1    7    7  -11 o  409.970   2.2760 48716.65  510.774 48001.79  871.950 49090.09  630.222  407.660   3.7035  412.280   2.6468 -4.619690 4.552031 
1 1 1    7    8  -11 f  847.071   4.4576 207542.30  2076.72 206732.91  3519.60 207974.50  2572.20  845.709   7.2059  848.434   5.2493 -2.724915 8.915144 
1 1 1    7    9  -11 o  297.417   2.2719 25546.47  390.254 25546.47  390.254   0.0000   0.0000  297.417   2.2719  ?   ?       ?      ? 
1 1 1    7   10  -11 o  106.607   1.9976  3282.17  122.994  3282.17  122.994   0.0000   0.0000  106.607   1.9976  ?   ?       ?      ? 
1 1 1    7   11  -11 o  310.964   2.4163 27927.35  433.964 27927.35  433.964   0.0000   0.0000  310.964   2.4163  ?   ?       ?      ? 
1 1 1    7   12  -11 f  399.711   2.9461 46146.04  680.112 46146.04  680.112   0.0000   0.0000  399.711   2.9461  ?   ?       ?      ? 
1 1 1    7   13  -11 o  543.186   2.9805 84830.52  883.936 83997.59  1083.01 86492.60  1529.86  539.250   3.4774  547.123   4.8415 -7.872742 5.960928 
1 1 1    7   14  -11 o  331.119   2.3232 31665.64  444.289 31665.64  444.289   0.0000   0.0000  331.119   2.3232  ?   ?       ?      ? 
1 1 1    7   15  -11 o  684.143   3.4003 135207.30  1343.54   0.0000   0.0000 135207.30  1343.54  ?   ?   684.143   3.4003      ?      ? 
1 1 1    7   16  -11 o  365.656   1.6613 38708.68  345.799 38066.40  534.103 39172.21  453.735  363.033   2.5474  368.280   2.1332 -5.247162 3.322625 
1 1 1    7   17  -11 o  131.284   1.8918  4972.98  143.299  5095.94  208.241  4862.39  197.495  132.823   2.7146  129.745   2.6356 3.078339 3.783593 
1 1 1    7   18  -11 o  191.767   1.8396 10667.23  184.856 10516.12  342.175 10729.51  219.672  190.792   3.1053  192.742   1.9734 -1.949982 3.679286 
1 1 1    7   19  -11 o  443.072   2.4253 56832.79  594.204 56339.05  994.098 57107.25  741.183  441.534   3.8983  444.609   2.8864 -3.075348 4.850623 
1 1 1    7   20  -11 o  385.904   2.1271 43015.59  474.084   0.0000   0.0000 43015.59  474.084  ?   ?   385.904   2.1271      ?      ? 
1 1 1    7   21  -11 o  217.115   1.3660 13597.42  169.454 13491.91  223.461 13740.19  259.945  216.129   1.7902  218.101   2.0637 -1.972046 2.731945 
1 1 1    7   22  -11 o  300.745   2.3355 26125.32  405.450 25702.49  562.828 26581.45  584.575  298.219   3.2678  303.270   3.3375 -5.051056 4.670935 
1 1 1    7   23  -11 o  144.830   1.8879  6099.66  134.095  5987.74  274.740  6134.66  153.637  143.929   3.3051  145.732   1.8254 -1.803131 3.775707 
1 1 1    7   24  -11 o  196.851   2.2051 11195.50  250.697   0.0000   0.0000 11195.50  250.697  ?   ?   196.851   2.2051      ?      ? 
1 1 1    7   25  -11 o  151.616   1.9580  6669.70  164.867  6549.54  272.447  6739.13  207.087  150.516   3.1341  152.717   2.3479 -2.200775 3.916039 
1 1 1    7   26  -11 o  200.446   1.9517 11618.52  225.859 11328.51  320.852 11903.39  317.994  197.962   2.8063  202.930   2.7132 -4.967651 3.903465 
1 1 1    7   27  -11 o  120.040   2.0274  4063.37  125.768  4396.53  243.547  3942.22  146.865  123.281   3.4206  116.799   2.1772 6.482101 4.054704 
1 1 1    7   28  -11 o   78.745   3.4133  1791.46  154.853  1977.97  225.793  1625.83  212.775   82.608   4.7327   74.883   4.9199 7.724609 6.826655 
1 1 1    7   29  -11 o  146.750   3.1176  6229.82  264.230  6229.82  264.230   0.0000   0.0000  146.750   3.1176  ?   ?       ?      ? 
1 1 1    7   30  -11 o   96.243   3.0864  2682.84  171.382  2648.36  236.446  2721.01  248.766   95.598   4.2825   96.887   4.4457 -1.289032 6.172812 
1 1 1    7   31  -11 o  229.105   2.3005 15173.14  304.399   0.0000   0.0000 15173.14  304.399  ?   ?   229.105   2.3005      ?      ? 
1 1 1    7   32  -11 o   37.722   7.0418  423.172  168.364  186.932  236.648  665.311  239.584   28.621   10.674   46.823   9.1878 -18.20125 14.08359 
1 1 1    7   33  -11 f   61.136   4.1473  1093.95  139.926  1064.31  233.812  1110.49  174.654   60.418   6.7006   61.854   4.8891 -1.435265 8.294645 
1 1 1    7   34  -11 o   93.334   3.0416  2580.75  151.330  2674.87  183.704  2382.03  266.933   96.121   3.3092   90.547   5.1044 5.573715 6.083202 
1 1 1    7   35  -11 o   86.338   2.7529  2153.91  136.843  2075.77  185.059  2248.18  203.272   84.625   3.7864   88.051   3.9972 -3.425514 5.505878 
1 1 1    7   36  -11 o  108.843   2.6268  3412.20  164.277  3653.72  247.964  3223.27  219.311  112.239   3.8252  105.447   3.6012 6.792664 5.253647 
1 1 1    7   37  -11 o   85.133   4.1858  2110.81  205.261  2019.76  278.275  2219.48  303.992   83.148   5.7948   87.118   6.0418 -3.970367 8.371552 
1 1 1    7   38  -11 o  148.545   2.5971  6421.25  222.206  6640.15  306.581  6178.99  322.518  151.254   3.5096  145.836   3.8292 5.417297 5.194179 
1 1 1    7   39  -11 f  106.829   3.4234  3330.22  211.018  3541.35  304.217  3134.43  292.952  110.103   4.7841  103.556   4.8982 6.547394 6.846895 
1 1 1    7   40  -11 o   66.600   4.8929  1302.45  186.193  1434.83  289.769  1209.35  242.997   69.355   7.2342   63.846   6.5899 5.508434 9.785756 
1 1 1    7   41  -11 o   26.574   9.3402  199.823  177.675   0.0000   0.0000  199.823  177.675  ?   ?    26.574   9.3402      ?      ? 
1 1 1    7   42  -11 o   96.145   3.2655  2697.78  181.329   0.0000   0.0000  2697.78  181.329  ?   ?    96.145   3.2655      ?      ? 
1 1 1    7   43  -11 o   34.295   8.9177  387.170  178.284   0.0000   0.0000  387.170  178.284  ?   ?    34.295   8.9177      ?      ? 
1 1 1    7   44  -11 o   99.717   2.7483  2973.90  148.993  2830.28  254.755  3048.56  183.683   97.457   4.5261  101.977   3.1187 -4.519882 5.496544 
1 1 1    7   45  -11 o   38.853   6.8514  527.267  150.774  524.743  242.399  528.859  192.556   38.126   10.616   39.581   8.6639 -1.454227 13.70282 
1 1 1    7   46  -11 o   18.303   5.9557 -98.4594  148.256 -247.2306  236.930  -2.7236  190.063   17.216   8.2590   19.390   8.5833 -2.174545 11.91148 
1 1 1    7   47  -11 o   29.425   7.1187  304.939  159.836  450.698  212.818  116.335  242.084   35.008   10.018   23.843   10.116 11.16468 14.23747 
1 1 1    7   48  -11 o   70.441   3.6231  1481.34  147.398   0.0000   0.0000  1481.34  147.398  ?   ?    70.441   3.6231      ?      ? 
1 1 1    7   49  -11 f   35.029   9.1419  458.665  186.916   0.0000   0.0000  458.665  186.916  ?   ?    35.029   9.1419      ?      ? 
1 1 1    7    0  -12 o  120.732   1.9591  4240.54  135.294  3998.87  201.423  4439.21  182.624  117.560   2.9709  123.904   2.5545 -0.000000 0.000000 
1 1 1    7    1  -12 o  424.406   2.2125 52004.57  511.423 52076.41  885.672 51968.63  626.412  424.614   3.6116  424.198   2.5569 0.4158325 4.425020 
1 1 1    7    2  -12 o  416.550   2.7004 50125.27  649.576 49481.18  921.850 50760.45  915.461  413.891   3.8565  419.210   3.7811 -5.318207 5.400865 
1 1 1    7    3  -12 o  733.580   3.8155 155783.30  1530.61 156430.00  1884.89 154531.41  2622.70  735.881   4.4350  731.280   6.2098 4.600708 7.630934 
1 1 1    7    4  -12 o  233.035   1.4699 15681.90  197.778 15732.42  282.989 15633.67  276.524  233.401   2.0993  232.668   2.0578 0.7332611 2.939713 
1 1 1    7    5  -12 o  367.910   2.4094 39093.64  511.945 39330.21  728.197 38862.44  719.874  369.011   3.4168  366.810   3.3981 2.200531 4.818875 
1 1 1    7    6  -12 o  126.479   1.9467  4623.42  141.845  4571.15  207.434  4669.33  194.398  125.806   2.8549  127.151   2.6472 -1.345177 3.893353 
1 1 1    7    7  -12 o  349.867   1.8706 35350.12  377.982 35350.12  377.982   0.0000   0.0000  349.867   1.8706  ?   ?       ?      ? 
1 1 1    7    8  -12 o  265.898   2.0587 20436.41  315.586 20129.55  458.299 20713.12  435.209  263.997   3.0058  267.800   2.8139 -3.802429 4.117380 
1 1 1    7    9  -12 o  232.615   1.8207 15620.93  227.541 15645.85  404.580 15609.41  275.189  232.745   3.0098  232.486   2.0495 0.2590637 3.641351 
1 1 1    7   10  -12 o  409.717   1.8235 48480.78  431.473 47974.81  608.036 48993.99  612.376  407.564   2.5831  411.871   2.5744 -4.306641 3.646919 
1 1 1    7   11  -12 o  412.005   2.3029 49348.29  507.486 49883.00  613.263 48186.67  903.899  415.589   2.5550  408.421   3.8320 7.167847 4.605702 
1 1 1    7   12  -12 o  188.274   1.9446 10280.43  195.609 10126.67  349.922 10350.31  235.911  187.239   3.2359  189.310   2.1577 -2.070648 3.889271 
1 1 1    7   13  -12 o  306.886   2.1633 27253.68  381.976 26576.17  561.287 27838.13  521.316  303.323   3.2040  310.449   2.9075 -7.126007 4.326600 
1 1 1    7   14  -12 o  332.448   1.9990 31775.21  363.208 32380.58  627.250 31469.84  445.493  334.806   3.2439  330.090   2.3368 4.716003 3.997911 
1 1 1    7   15  -12 o  484.500   2.8583 67836.20  799.616 67235.89  1140.60 68416.38  1121.31  482.389   4.0940  486.612   3.9898 -4.223419 5.716628 
1 1 1    7   16  -12 o  224.657   1.7879 14507.91  213.318 14400.73  255.150 14756.78  388.801  223.296   1.9785  226.018   2.9785 -2.721786 3.575728 
1 1 1    7   17  -12 o  316.556   2.2523 28937.21  411.240 29191.13  598.296 28709.81  566.194  317.868   3.2590  315.243   3.1098 2.624969 4.504663 
1 1 1    7   18  -12 f  189.564   2.1458 10383.64  234.862 10277.64  334.890 10486.23  329.465  188.611   3.0743  190.518   2.9943 -1.906616 4.291510 
1 1 1    7   19  -12 o  143.742   2.4684  5979.72  199.409  5930.95  320.780  6010.43  254.574  143.252   3.8772  144.232   3.0561 -0.9799805 4.936879 
1 1 1    7   20  -12 o  276.038   1.9560 22081.47  296.531 21796.87  502.959 22233.11  367.123  274.649   3.1708  277.427   2.2913 -2.777924 3.912027 
1 1 1    7   21  -12 o  307.253   1.6017 27265.74  284.028 27117.29  393.827 27426.64  410.014  306.384   2.2256  308.122   2.3040 -1.738556 3.203446 
1 1 1    7   22  -12 o  157.251   1.8079  7160.93  153.486  7190.57  186.658  7099.04  269.714  157.771   2.0485  156.732   2.9796 1.038605 3.615858 
1 1 1    7   23  -12 o  326.480   2.0069 30917.16  355.620 30472.25  617.588 31137.85  434.968  324.672   3.2936  328.288   2.2941 -3.616333 4.013818 
1 1 1    7   24  -12 o  265.962   2.1480 20421.96  329.040 20115.26  447.497 20782.93  485.485  263.800   2.9372  268.124   3.1351 -4.324249 4.296045 
1 1 1    7   25  -12 o  116.662   1.8552  3934.30  124.971  3893.39  177.927  3974.13  175.567  116.062   2.6544  117.262   2.5924 -1.199745 3.710304 
1 1 1    7   26  -12 o  207.757   2.0421 12473.35  244.021 12414.32  330.050 12544.52  362.411  207.226   2.7577  208.287   3.0127 -1.061600 4.084271 
1 1 1    7   27  -12 f  280.558   2.2798 22752.35  368.259 22568.71  500.436 22969.24  543.862  279.342   3.1019  281.774   3.3420 -2.432434 4.559661 
1 1 1    7   28  -12 o   70.046   2.8661  1405.04  115.015  1544.11  176.791  1302.99  151.445   73.011   4.1926   67.082   3.9090 5.928734 5.732233 
1 1 1    7   29  -12 o  141.567   2.6688  5801.46  218.161  5873.15  312.173  5733.03  305.003  142.419   3.7953  140.714   3.7530 1.704956 5.337518 
1 1 1    7   30  -12 o  134.596   1.9726  5309.86  134.747  5091.01  260.673  5389.66  157.408  132.628   3.4031  136.563   1.9958 -3.935806 3.945160 
1 1 1    7   31  -12 o  203.281   1.4056 11993.48  160.926 11707.62  256.304 12179.51  206.762  201.255   2.2051  205.308   1.7437 -4.053177 2.811224 
1 1 1    7   32  -12 o  144.122   1.8632  6002.73  154.343  5965.35  208.012  6048.53  230.221  143.633   2.5075  144.611   2.7565 -0.9781494 3.726405 
1 1 1    7   33  -12 f   57.544   5.6154  1020.57  162.746  892.283  294.438  1077.00  195.290   54.229   9.7601   60.859   5.5561 -6.630116 11.23072 
1 1 1    7   34  -12 o  159.346   2.6123  7344.66  240.406   0.0000   0.0000  7344.66  240.406  ?   ?   159.346   2.6123      ?      ? 
1 1 1    7   35  -12 o  109.389   2.9605  3465.51  171.574  3489.84  313.097  3455.06  205.113  109.557   4.9483  109.221   3.2516 0.3354340 5.921027 
1 1 1    7   36  -12 f   70.176   4.5618  1431.65  184.888   0.0000   0.0000  1431.65  184.888  ?   ?    70.176   4.5618      ?      ? 
1 1 1    7   37  -12 o   51.339   6.0108  797.326  161.523  785.254  283.912  803.103  196.407   50.360   10.113   52.318   6.5002 -1.957893 12.02162 
1 1 1    7   38  -12 o   95.951   3.0428  2774.92  138.741  2514.83  290.475  2851.79  157.919   92.698   5.4257   99.203   2.7563 -6.505661 6.085637 
1 1 1    7   39  -12 f   85.790   3.3923  2279.85  140.549  1917.04  281.363  2400.49  162.241   80.651   6.0405   90.930   3.0894 -10.27849 6.784665 
1 1 1    7   40  -12 o  142.800   2.1827  5908.34  180.015   0.0000   0.0000  5908.34  180.015  ?   ?   142.800   2.1827      ?      ? 
1 1 1    7   41  -12 o  112.283   2.6466  3653.58  162.709  3786.94  280.770  3586.14  199.651  113.602   4.2794  110.964   3.1153 2.637138 5.293234 
1 1 1    7   42  -12 o   39.264   7.5385  516.129  176.203  599.778  255.873  440.684  243.003   42.275   10.522   36.253   10.799 6.021454 15.07704 
1 1 1    7   43  -12 o   18.302   6.0412 -184.0824  148.406 -24.5120  251.178 -269.6618  183.946   22.027   9.8029   14.577   7.0632 7.449777 12.08245 
1 1 1    7   44  -12 o   33.467   6.9947  338.190  144.177  594.678  248.281  207.694  177.096   41.031   10.449   25.903   9.3015 15.12774 13.98933 
1 1 1    7   45  -12 o   68.082   4.8754  1399.83  191.700   0.0000   0.0000  1399.83  191.700  ?   ?    68.082   4.8754      ?      ? 
1 1 1    7   46  -12 o   72.171   3.9404  1639.57  157.655  1443.09  251.040  1767.52  202.588   67.795   6.4115   76.548   4.5824 -8.752670 7.880731 
1 1 1    7   47  -12 o   29.828   7.6649  320.986  179.020  446.997  246.924  181.362  259.920   33.961   11.014   25.696   10.663 8.265436 15.32974 
1 1 1    7   48  -12 o   65.725   5.0753  1417.08  192.124  1287.41  262.902  1565.70  281.453   62.375   7.2980   69.075   7.0550 -6.700611 10.15055 
1 1 1    7    0  -13 o  525.550   3.3091 79777.43  1004.30   0.0000   0.0000 79777.43  1004.30  525.550   3.3091  525.550   3.3091 -0.000000 0.000000 
1 1 1    7    1  -13 o  537.758   2.9217 83665.45  860.536 83125.48  1470.36 83946.75  1061.28  536.408   4.7462  539.108   3.4085 -2.700012 5.843311 
1 1 1    7    2  -13 o  306.856   2.3270 27193.81  412.405   0.0000   0.0000 27193.81  412.405  ?   ?   306.856   2.3270      ?      ? 
1 1 1    7    3  -13 o  360.920   2.3837 37625.11  496.869 38017.00  703.252 37234.49  702.106  362.797   3.3563  359.043   3.3859 3.753876 4.767497 
1 1 1    7    4  -13 o  212.889   2.0608 13106.06  251.206 12963.93  379.954 13216.43  334.828  211.860   3.1053  213.918   2.7101 -2.058151 4.121578 
1 1 1    7    5  -13 o  282.602   2.1482 23039.96  350.338 23726.28  507.843 22416.76  483.928  286.612   3.0680  278.592   3.0076 8.020691 4.296315 
1 1 1    7    6  -13 o  175.018   1.9880  8846.49  200.944  8798.45  282.750  8895.51  285.628  174.538   2.8050  175.498   2.8180 -0.9599609 3.976064 
1 1 1    7    7  -13 o  146.896   2.3473  6075.59  185.971  6667.94  335.240  5812.26  223.517  151.932   3.8205  141.860   2.7281 10.07176 4.694582 
1 1 1    7    8  -13 o  112.490   2.2274  3650.56  144.469  3364.71  200.813  3957.23  207.996  107.930   3.2215  117.050   3.0768 -9.119308 4.454774 
1 1 1    7    9  -13 o  261.228   2.1681 19702.54  326.866 19909.38  472.293 19512.39  452.838  262.543   3.1148  259.914   3.0167 2.628815 4.336145 
1 1 1    7   10  -13 o  210.208   2.2029 12743.46  267.226 13280.11  387.477 12256.69  369.028  214.421   3.1289  205.994   3.1018 8.427307 4.405843 
1 1 1    7   11  -13 o  223.180   2.1772 14393.50  279.885 14301.05  410.448 14473.85  382.648  222.508   3.1940  223.852   2.9597 -1.344757 4.354464 
1 1 1    7   12  -13 o  402.862   1.8208 46872.79  423.633 47201.05  603.045 46552.97  595.246  404.254   2.5829  401.470   2.5672 2.784363 3.641691 
1 1 1    7   13  -13 o  550.344   2.8861 87860.13  867.434 86431.02  1487.24 88596.92  1067.88  546.888   4.7087  553.799   3.3388 -6.910278 5.772253 
1 1 1    7   14  -13 o  130.992   2.8328  4948.08  213.929  5113.55  313.914  4804.60  292.320  133.031   4.0858  128.952   3.9250 4.078369 5.665636 
1 1 1    7   15  -13 o  208.518   1.9593 12541.93  223.252 12505.18  274.226 12614.16  384.452  208.076   2.2819  208.960   3.1856 -0.8837280 3.918597 
1 1 1    7   16  -13 o  517.505   2.7996 77325.70  707.026 77268.38  806.978 77515.04  1466.69  517.192   2.7016  517.820   4.9043 -0.6281128 5.599165 
1 1 1    7   17  -13 o  275.788   2.2586 21969.43  359.744 21969.43  359.744   0.0000   0.0000  275.788   2.2586  ?   ?       ?      ? 
1 1 1    7   18  -13 o  153.471   1.5430  6810.46  133.619  6836.78  171.723  6770.07  212.727  153.851   1.9326  153.090   2.4060 0.7615051 3.086037 
1 1 1    7   19  -13 o  304.296   1.5510 26741.21  272.448 26545.93  379.052 26949.92  391.867  303.148   2.1650  305.443   2.2214 -2.295532 3.101901 
1 1 1    7   20  -13 o   62.455   3.2682  1135.24  115.914  1169.81  152.049  1087.28  179.110   63.607   4.1390   61.303   5.0589 2.303989 6.536350 
1 1 1    7   21  -13 o  296.825   1.4184 25509.02  237.118 25716.39  304.037 25187.05  378.842  298.380   1.7643  295.270   2.2215 3.109711 2.836891 
1 1 1    7   22  -13 o  336.193   1.2992 32594.82  248.760 32326.14  325.144 32974.12  386.311  334.534   1.6829  337.852   1.9798 -3.318420 2.598410 
1 1 1    7   23  -13 o   92.921   2.5268  2479.80  115.642  2529.60  237.709  2464.36  132.361   93.494   4.4023   92.348   2.4817 1.146065 5.053598 
1 1 1    7   24  -13 o  148.462   1.9722  6406.28  160.537  6258.04  272.481  6485.09  198.682  147.116   3.2069  149.809   2.2963 -2.692261 3.944320 
1 1 1    7   25  -13 o  368.762   2.2147 39387.08  456.822 39067.28  743.888 39580.70  578.821  367.493   3.5049  370.030   2.7085 -2.537140 4.429438 
1 1 1    7   26  -13 o  129.531   2.4021  4802.01  178.715  5405.33  270.134  4332.40  238.327  136.687   3.4219  122.375   3.3721 14.31216 4.804167 
1 1 1    7   27  -13 o  178.594   1.9353  9327.67  187.228  8915.55  323.745  9534.77  229.499  175.554   3.1931  181.634   2.1878 -6.079636 3.870649 
1 1 1    7   28  -13 o  302.447   1.9079 26342.40  295.617 26686.26  571.542 26216.81  345.408  303.695   3.2586  301.199   1.9856 2.496429 3.815866 
1 1 1    7   29  -13 o   75.058   4.4231  1609.54  189.972  1885.94  293.272  1409.72  249.359   80.505   6.3076   69.611   6.2024 10.89365 8.846258 
1 1 1    7   30  -13 o   48.578   7.1447  752.441  203.618  304.731  294.160  1164.29  282.135   34.032   12.012   63.124   7.7389 -29.09233 14.28948 
1 1 1    7   31  -13 o  134.038   3.0332  5210.33  234.631  5284.22  326.984  5131.90  336.873  135.029   4.1929  133.047   4.3841 1.982666 6.066313 
1 1 1    7   32  -13 o   66.273   5.2543  1280.53  198.225  1302.32  308.565  1265.21  258.658   66.688   8.0116   65.859   6.8003 0.8290024 10.50854 
1 1 1    7   33  -13 o  122.772   2.7126  4465.52  166.816  4170.92  326.842  4569.29  193.984  119.862   4.7214  125.683   2.6724 -5.820541 5.425261 
1 1 1    7   34  -13 o   69.420   4.6342  1410.19  169.855  1401.10  310.474  1414.07  202.913   69.099   7.7798   69.741   5.0377 -0.6420975 9.268444 
1 1 1    7   35  -13 o  119.816   2.5383  4093.23  168.627  4403.40  285.662  3927.35  208.908  123.184   4.0153  116.449   3.1062 6.734802 5.076532 
1 1 1    7   36  -13 o   66.975   5.0309  1306.93  194.598   0.0000   0.0000  1306.93  194.598  ?   ?    66.975   5.0309      ?      ? 
1 1 1    7   37  -13 o  103.508   2.8959  3137.88  139.276  3078.16  307.074  3153.34  156.275  102.666   5.1788  104.350   2.5930 -1.683937 5.791708 
1 1 1    7   38  -13 o   99.074   2.9897  2928.63  137.918  2744.45  299.479  2978.21  155.375   96.776   5.3581  101.371   2.6539 -4.595154 5.979353 
1 1 1    7   39  -13 o   19.932   6.4031 -89.1384  137.242 -41.8372  277.524 -104.4506  157.901   23.688   10.434   16.175   7.4243 7.513458 12.80619 
1 1 1    7   40  -13 o   64.154   4.7855  1319.07  156.732  1023.14  279.846  1454.32  189.188   57.942   8.3626   70.365   4.6553 -12.42380 9.571071 
1 1 1    7   41  -13 o  107.644   3.3023  3382.37  205.304   0.0000   0.0000  3382.37  205.304  ?   ?   107.644   3.3023      ?      ? 
1 1 1    7   42  -13 o  103.369   2.8620  3113.29  160.917  3256.27  281.777  3044.09  196.026  104.772   4.6566  101.965   3.3287 2.807716 5.724049 
1 1 1    7   43  -13 o   60.004   4.5123  1072.32  156.374   0.0000   0.0000  1072.32  156.374  ?   ?    60.004   4.5123      ?      ? 
1 1 1    7   44  -13 o   38.232   7.3580  531.359  167.674  458.077  261.054  582.823  218.766   35.344   11.311   41.121   9.4146 -5.776649 14.71604 
1 1 1    7   45  -13 o   41.164   8.0944  566.822  185.579   0.0000   0.0000  566.822  185.579  ?   ?    41.164   8.0944      ?      ? 
1 1 1    7   46  -13 o   59.856   3.9870  1043.03  129.604  1306.95  235.141  927.863  155.327   64.468   6.3154   55.243   4.8684 9.225201 7.974021 
1 1 1    7   47  -13 o   71.623   4.1874  1640.69  165.570  1493.79  268.463  1730.86  210.335   68.022   6.8336   75.225   4.8413 -7.202545 8.374743 
1 1 1    7   48  -13 o   41.525   7.5412  678.943  180.034  642.363  235.877  729.990  278.647   40.840   10.065   42.210   11.233 -1.370216 15.08242 
1 1 1    7    0  -14 o   7.6709   5.6685 -940.8089  147.697 -1355.1160  227.945 -640.9889  193.909   7.6709   5.6685   7.6709   5.6685 -0.000000 0.000000 
1 1 1    7    1  -14 f  485.422   2.7918 67934.61  732.749 67689.95  890.608 68447.22  1289.14  484.101   3.1854  486.743   4.5858 -2.642029 5.583587 
1 1 1    7    2  -14 o  314.228   2.2887 28525.55  414.916 26859.10  583.481 30230.22  590.135  304.940   3.3130  323.515   3.1584 -18.57483 4.577322 
1 1 1    7    3  -14 o  749.912   4.6826 162650.80  2026.12 160148.09  2916.97 164984.00  2816.41  744.316   6.7856  755.508   6.4546 -11.19165 9.365181 
1 1 1    7    4  -14 f  191.532   1.8660 10599.49  206.030  9777.42  289.285 11445.70  293.500  183.991   2.7223  199.072   2.5528 -15.08093 3.732002 
1 1 1    7    5  -14 o  378.151   2.5110 41364.37  547.497 38861.45  777.552 43825.56  771.045  366.786   3.6706  389.516   3.4274 -22.73050 5.021977 
1 1 1    7    6  -14 o  239.762   1.9216 16611.66  265.919 15970.88  376.731 17247.92  375.405  235.150   2.7740  244.373   2.6599 -9.222443 3.843153 
1 1 1    7    7  -14 o  244.835   2.0363 17312.02  287.936   0.0000   0.0000 17312.02  287.936  ?   ?   244.835   2.0363      ?      ? 
1 1 1    7    8  -14 o  150.749   1.9823  6561.61  172.540  6350.92  241.809  6780.15  246.270  148.284   2.8235  153.213   2.7831 -4.929489 3.964595 
1 1 1    7    9  -14 o  352.310   2.5896 35883.27  526.503 34507.04  748.329 37232.32  740.902  345.612   3.7490  359.008   3.5733 -13.39502 5.179167 
1 1 1    7   10  -14 o  276.755   2.2119 22127.71  353.500 21832.44  501.763 22418.69  498.106  274.921   3.1601  278.589   3.0958 -3.668396 4.423843 
1 1 1    7   11  -14 o  162.305   1.8976  7578.21  168.454  7703.99  290.297  7514.35  206.840  163.310   3.0778  161.300   2.2203 2.010529 3.795114 
1 1 1    7   12  -14 o  124.762   2.3014  4479.18  161.744  4574.62  260.404  4419.24  206.383  125.835   3.5831  123.689   2.8891 2.145645 4.602766 
1 1 1    7   13  -14 o  342.795   1.7156 33940.47  339.641 33836.60  478.996 34045.51  481.666  342.268   2.4232  343.323   2.4292 -1.054810 3.431115 
1 1 1    7   14  -14 o  224.637   1.4797 14573.84  191.711 14590.86  278.490 14558.51  264.307  224.760   2.1454  224.513   2.0384 0.2470856 2.959322 
1 1 1    7   15  -14 o  240.497   1.9193 16749.57  245.066 16813.99  293.871 16602.50  444.059  241.275   2.1089  239.719   3.2074 1.555679 3.838612 
1 1 1    7   16  -14 o  235.168   1.8388 15946.21  204.814 15923.98  230.928 16028.14  443.385  234.809   1.7029  235.527   3.2595 -0.7181091 3.677532 
1 1 1    7   17  -14 o  348.464   2.5138 35078.05  505.920 35078.05  505.920   0.0000   0.0000  348.464   2.5138  ?   ?       ?      ? 
1 1 1    7   18  -14 o  351.137   2.4528 35619.28  497.427 35619.28  497.427   0.0000   0.0000  351.137   2.4528  ?   ?       ?      ? 
1 1 1    7   19  -14 o  141.683   1.6632  5798.02  136.096  5798.02  136.096   0.0000   0.0000  141.683   1.6632  ?   ?       ?      ? 
1 1 1    7   20  -14 o  405.726   2.3523 47416.57  469.504 47267.59  537.483 47896.29  964.502  404.487   2.3008  406.965   4.1036 -2.478149 4.704548 
1 1 1    7   21  -14 o  266.096   1.5647 20455.48  240.440 20358.85  337.310 20555.29  342.824  265.458   2.2001  266.734   2.2254 -1.276184 3.129364 
1 1 1    7   22  -14 o  299.096   1.9631 25785.70  313.649 25673.23  377.184 26037.77  564.682  298.090   2.1909  300.102   3.2580 -2.012146 3.926136 
1 1 1    7   23  -14 o  398.756   2.2658 45896.27  507.809 46319.64  820.200 45633.11  646.652  400.186   3.5487  397.325   2.8180 2.860870 4.531504 
1 1 1    7   24  -14 o  173.208   2.2276  8669.54  222.837   0.0000   0.0000  8669.54  222.837  ?   ?   173.208   2.2276      ?      ? 
1 1 1    7   25  -14 o   90.504   2.7288  2282.73  122.108  2205.18  139.129  2542.79  254.772   87.334   2.7583   93.674   4.7092 -6.340004 5.457574 
1 1 1    7   26  -14 o   24.692   6.9687   52.662  145.863  203.193  251.714 -23.4405  178.976   29.688   11.021   19.696   8.5318 9.992462 13.93743 
1 1 1    7   27  -14 o  274.052   1.9409 21563.46  290.856 22196.41  502.920 21245.36  356.528  276.993   3.1437  271.111   2.2770 5.881897 3.881720 
1 1 1    7   28  -14 o   74.987   3.8980  1621.12  165.049  1690.12  265.089  1577.44  210.919   76.238   6.0205   73.735   4.9528 2.502548 7.795986 
1 1 1    7   29  -14 o  112.162   3.0470  3642.28  197.275  3788.48  284.282  3506.48  273.980  114.331   4.3053  109.993   4.3129 4.338158 6.093977 
1 1 1    7   30  -14 o  130.942   2.7764  4994.54  208.660  4425.98  298.423  5538.39  291.865  123.582   4.1811  138.301   3.6540 -14.71869 5.552792 
1 1 1    7   31  -14 o  126.960   2.5531  4617.02  179.690  4846.45  302.964  4492.52  223.184  129.320   4.0564  124.600   3.1014 4.720276 5.106168 
1 1 1    7   32  -14 o  261.164   2.0414 19591.61  293.632 20205.46  500.341 19269.12  362.649  264.188   3.2792  258.139   2.4325 6.048950 4.082892 
1 1 1    7   33  -14 o  190.929   2.0745 10528.57  221.401 10636.10  362.741 10464.73  279.502  191.652   3.2772  190.206   2.5443 1.445984 4.148917 
1 1 1    7   34  -14 o  130.947   2.7829  4963.13  210.187  5181.38  307.079  4770.75  288.308  133.643   3.9785  128.251   3.8923 5.392456 5.565849 
1 1 1    7   35  -14 o  168.049   1.9951  8145.07  169.851  8243.24  334.001  8110.82  197.262  168.623   3.4296  167.476   2.0394 1.147110 3.990179 
1 1 1    7   36  -14 o   92.689   3.4552  2681.35  141.137  2231.07  318.739  2791.16  157.409   87.213   6.3280   98.165   2.7764 -10.95205 6.910324 
1 1 1    7   37  -14 o   54.755   5.8306  967.786  140.833  804.621  302.296  1013.02  159.160   50.586   10.682   58.924   4.6769 -8.337906 11.66119 
1 1 1    7   38  -14 o   18.868   6.2882 -215.3763  158.059 -173.1584  291.983 -232.8758  187.984   22.033   10.107   15.702   7.4848 6.330182 12.57639 
1 1 1    7   39  -14 o   64.005   5.3101  1223.56  195.203  1301.27  295.069  1163.09  260.305   65.711   7.7750   62.299   7.2346 3.411800 10.62028 
1 1 1    7   40  -14 o   52.945   5.4445  795.518  155.742  1021.22  286.794  701.121  185.473   57.569   8.6258   48.322   6.6459 9.247074 10.88910 
1 1 1    7   41  -14 o  102.306   3.0962  3133.58  170.154  2958.77  297.084  3218.92  207.572   99.730   5.1579  104.883   3.4267 -5.153343 6.192410 
1 1 1    7   42  -14 o   93.813   4.0815  2663.52  218.827  2681.28  290.241  2640.13  333.107   94.494   5.3182   93.133   6.1929 1.361336 8.163086 
1 1 1    7   43  -14 o   74.654   3.9836  1671.20  162.162  1770.96  282.580  1622.22  198.012   75.691   6.4642   73.617   4.6573 2.073784 7.967168 
1 1 1    7   44  -14 o   67.306   4.3001  1359.71  158.464  1536.25  277.480  1274.27  193.039   69.823   6.8809   64.788   5.1590 5.035088 8.600129 
1 1 1    7   45  -14 o   20.822   8.6727   78.415  172.885   0.0000   0.0000   78.415  172.885  ?   ?    20.822   8.6727      ?      ? 
1 1 1    7   46  -14 o   45.991   7.3946  689.825  196.414   0.0000   0.0000  689.825  196.414  ?   ?    45.991   7.3946      ?      ? 
1 1 1    7   47  -14 o   62.293   5.4335  1301.16  194.098  1138.01  272.739  1468.58  276.288   57.762   8.1756   66.823   7.1590 -9.061230 10.86696 
1 1 1    7    0  -15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    1  -15 o  533.848   3.4875 82308.52  1073.28 81694.31  1471.09 83007.52  1569.36  531.729   4.7903  535.967   5.0699 -4.237671 6.975026 
1 1 1    7    2  -15 o  400.323   2.6590 46286.55  614.765   0.0000   0.0000 46286.55  614.765  ?   ?   400.323   2.6590      ?      ? 
1 1 1    7    3  -15 o  271.638   2.2893 21294.04  358.168 21569.55  527.934 21059.09  487.528  273.262   3.3451  270.014   3.1263 3.247803 4.578609 
1 1 1    7    4  -15 o  898.813   3.5064 232857.70  1793.20 236810.00  2797.53 230101.41  2336.27  905.222   5.3510  892.405   4.5329 12.81702 7.012864 
1 1 1    7    5  -15 f  335.534   1.9511 32416.56  333.268 32304.16  388.094 32732.21  650.366  334.447   2.0092  336.622   3.3453 -2.175140 3.902265 
1 1 1    7    6  -15 o  404.934   2.3374 47196.93  519.489 46829.40  640.356 47904.45  888.470  402.656   2.7536  407.212   3.7778 -4.556335 4.674822 
1 1 1    7    7  -15 o  146.266   1.7616  6208.56  145.320  6038.88  230.311  6320.80  187.316  144.594   2.7579  147.937   2.1924 -3.342865 3.523135 
1 1 1    7    8  -15 o  169.235   2.0583  8172.29  186.560  8009.91  223.996  8539.99  337.076  166.532   2.3289  171.938   3.3945 -5.405518 4.116581 
1 1 1    7    9  -15 o   73.254   3.6360  1449.77  128.391  1374.69  144.145  1738.03  282.444   68.981   3.6181   77.528   6.3080 -8.547150 7.271958 
1 1 1    7   10  -15 o  337.071   2.4649 32823.36  479.755 32799.07  671.424 32848.70  685.756  336.945   3.4503  337.197   3.5213 -0.2518311 4.929876 
1 1 1    7   11  -15 o  168.656   2.0914  8145.57  194.907  7977.93  241.424  8459.34  330.287  166.193   2.5153  171.118   3.3420 -4.924530 4.182784 
1 1 1    7   12  -15 o  188.322   1.9348 10173.64  201.325 10005.64  249.585 10486.54  340.627  186.121   2.3219  190.524   3.0956 -4.403275 3.869594 
1 1 1    7   13  -15 o  163.046   2.3360  7691.69  217.824  7761.84  289.281  7599.83  331.022  163.912   3.0558  162.180   3.5341 1.731522 4.671978 
1 1 1    7   14  -15 o  244.077   2.1472 17209.72  302.628 17638.36  430.156 16789.65  425.838  247.087   3.0143  241.068   3.0586 6.019516 4.294315 
1 1 1    7   15  -15 o  237.547   1.8755 16314.76  243.730 16342.92  300.087 16260.18  417.784  237.864   2.1844  237.230   3.0493 0.6334534 3.750963 
1 1 1    7   16  -15 o  272.434   2.2449 21439.57  353.211 21439.57  353.211   0.0000   0.0000  272.434   2.2449  ?   ?       ?      ? 
1 1 1    7   17  -15 o   36.345   7.1839  367.019  145.778  323.371  172.793  474.800  271.528   32.833   8.8927   39.857   11.285 -7.023514 14.36772 
1 1 1    7   18  -15 o  166.499   2.2136  8008.47  212.858  8008.47  212.858   0.0000   0.0000  166.499   2.2136  ?   ?       ?      ? 
1 1 1    7   19  -15 o  171.296   1.6694  8466.41  164.827  8644.15  241.921  8312.41  225.180  172.970   2.4217  169.622   2.2986 3.347137 3.338876 
1 1 1    7   20  -15 o  424.695   2.5317 52419.06  574.393 52863.28  693.040 51444.48  1026.54  427.689   2.8057  421.701   4.2149 5.987732 5.063330 
1 1 1    7   21  -15 o  244.367   1.9624 17319.09  257.604 17423.84  312.048 17094.97  456.453  245.570   2.2002  243.163   3.2502 2.407135 3.924896 
1 1 1    7   22  -15 o  420.388   2.0586 51092.58  498.705 51149.96  683.167 51027.11  729.679  420.656   2.8120  420.120   3.0073 0.5357361 4.117160 
1 1 1    7   23  -15 o  193.710   1.4494 10833.79  161.907 10695.10  222.332 10990.37  236.242  192.394   2.0009  195.026   2.0974 -2.632187 2.898734 
1 1 1    7   24  -15 o  168.281   1.4109  8244.14  124.915  8333.61  149.060  8033.09  228.930  169.848   1.5196  166.713   2.3777 3.134567 2.821752 
1 1 1    7   25  -15 o  109.712   2.6227  3514.44  149.538  3554.68  177.005  3414.12  279.483  110.876   2.7642  108.548   4.4581 2.328346 5.245497 
1 1 1    7   26  -15 o  236.549   1.8501 16135.80  224.623 16085.29  262.851 16272.56  432.514  235.933   1.9290  237.166   3.1576 -1.233383 3.700240 
1 1 1    7   27  -15 o  237.195   2.2100 16280.01  302.353 16332.18  417.338 16222.39  438.642  237.607   3.0412  236.784   3.2076 0.8235474 4.420087 
1 1 1    7   28  -15 o   33.151   8.2314  266.888  198.768  149.402  265.402  416.960  299.959   28.489   11.134   37.813   12.127 -9.324034 16.46271 
1 1 1    7   29  -15 o  174.781   2.3835  8842.30  240.583  8964.59  340.138  8719.87  340.335  175.994   3.3464  173.569   3.3951 2.424469 4.767036 
1 1 1    7   30  -15 o  143.933   2.6659  6004.85  221.385  5704.20  313.428  6304.20  312.745  140.324   3.8674  147.542   3.6702 -7.218826 5.331720 
1 1 1    7   31  -15 o  110.016   2.7552  3416.98  163.497  3758.17  294.742  3265.33  196.500  113.819   4.4838  106.213   3.2033 7.606171 5.510482 
1 1 1    7   32  -15 o  202.695   2.2499 11895.95  263.266 11447.52  371.161 12349.98  373.477  198.843   3.2320  206.548   3.1308 -7.705811 4.499739 
1 1 1    7   33  -15 o  154.492   2.7111  6906.61  241.898   0.0000   0.0000  6906.61  241.898  ?   ?   154.492   2.7111      ?      ? 
1 1 1    7   34  -15 o  177.217   2.6402  9089.40  270.224   0.0000   0.0000  9089.40  270.224  ?   ?   177.217   2.6402      ?      ? 
1 1 1    7   35  -15 f  121.534   2.5184  4275.43  176.770   0.0000   0.0000  4275.43  176.770  ?   ?   121.534   2.5184      ?      ? 
1 1 1    7   36  -15 o   62.247   4.9616  1117.85  155.427  1196.66  311.982  1091.83  179.257   63.355   8.5263   61.139   5.0766 2.216133 9.923173 
1 1 1    7   37  -15 o   47.230   6.5652  785.977  142.547  511.915  302.886  863.950  161.557   40.152   12.078   54.308   5.1508 -14.15602 13.13038 
1 1 1    7   38  -15 o   54.006   4.4825  853.546  139.813   0.0000   0.0000  853.546  139.813  ?   ?    54.006   4.4825      ?      ? 
1 1 1    7   39  -15 o   66.953   4.7683  1318.82  184.383   0.0000   0.0000  1318.82  184.383  ?   ?    66.953   4.7683      ?      ? 
1 1 1    7   40  -15 o   45.852   7.5952  709.422  198.203  608.693  291.855  795.643  270.020   42.284   11.601   49.420   9.8064 -7.136402 15.19047 
1 1 1    7   41  -15 o   40.471   8.6020  533.765  194.868   0.0000   0.0000  533.765  194.868  ?   ?    40.471   8.6020      ?      ? 
1 1 1    7   42  -15 o   56.804   6.3193  1055.74  201.984  1176.42  290.634  942.993  280.912   60.626   8.3005   52.981   9.5308 7.644234 12.63864 
1 1 1    7   43  -15 o   39.077   6.3907  473.913  144.230   0.0000   0.0000  473.913  144.230  ?   ?    39.077   6.3907      ?      ? 
1 1 1    7   44  -15 o   56.564   5.9030  989.534  192.841   0.0000   0.0000  989.534  192.841  ?   ?    56.564   5.9030      ?      ? 
1 1 1    7   45  -15 o   75.122   3.8724  1800.18  157.059  1531.13  260.992  1952.93  196.652   69.603   6.4925   80.642   4.2224 -11.03878 7.744771 
1 1 1    7   46  -15 o   43.804   7.5551  741.714  189.805  799.390  254.813  669.827  284.479   46.827   9.7393   40.781   11.553 6.046158 15.11015 
1 1 1    7   47  -15 o   45.355   6.2722  662.675  164.297   0.0000   0.0000  662.675  164.297  ?   ?    45.355   6.2722      ?      ? 
1 1 1    7    0  -16 o  349.671   2.5766 35347.39  519.876 34616.90  744.122 36043.93  726.622  346.135   3.7233  353.208   3.5628 -0.000000 0.000000 
1 1 1    7    1  -16 o   94.519   2.6002  2538.87  133.598  2704.06  235.635  2460.61  162.185   96.741   4.2174   92.296   3.0426 4.445549 5.200335 
1 1 1    7    2  -16 o  346.050   2.0730 34563.14  354.698 34538.28  407.233 34641.26  721.969  345.816   2.0390  346.283   3.6100 -0.4676208 4.145987 
1 1 1    7    3  -16 o  526.176   2.8246 79910.06  730.950 80142.55  1499.66 79837.61  837.119  526.609   4.9308  525.744   2.7569 0.8646851 5.649239 
1 1 1    7    4  -16 o  428.039   1.8948 53027.36  458.491 52391.71  724.835 53451.33  591.966  425.885   2.9469  430.191   2.3826 -4.306091 3.789564 
1 1 1    7    5  -16 f  740.613   2.5028 158389.41  1060.30 158968.00  1616.44 157952.41  1404.72  741.778   3.7731  739.447   3.2893 2.331238 5.005554 
1 1 1    7    6  -16 o  250.541   1.9713 18057.06  270.609 18365.15  464.729 17899.00  332.862  252.141   3.1913  248.941   2.3152 3.199677 3.942662 
1 1 1    7    7  -16 o  353.193   2.0574 35860.07  357.214 35703.86  408.656 36366.02  735.440  351.599   2.0124  354.788   3.5892 -3.188324 4.114859 
1 1 1    7    8  -16 o  155.564   2.0163  6962.97  171.860  7077.13  295.079  6904.36  211.419  156.517   3.2643  154.610   2.3677 1.907272 4.032562 
1 1 1    7    9  -16 o  106.456   2.4266  3300.42  146.592  3123.50  226.266  3428.40  192.442  103.972   3.7681  108.939   3.0587 -4.967255 4.853214 
1 1 1    7   10  -16 o  256.381   1.8386 18918.00  259.575 18760.55  321.121 19214.84  440.920  254.859   2.1816  257.903   2.9602 -3.044540 3.677254 
1 1 1    7   11  -16 o  212.630   1.9581 13094.15  224.248 13154.07  272.162 12967.48  395.735  213.404   2.2082  211.857   3.2343 1.546982 3.916207 
1 1 1    7   12  -16 o  192.087   1.6849 10659.97  186.774 10609.56  269.247 10706.72  259.311  191.648   2.4325  192.526   2.3321 -0.8779449 3.369855 
1 1 1    7   13  -16 o  348.446   2.0661 35171.25  396.700 35391.93  492.923 34765.55  668.341  350.027   2.4383  346.865   3.3362 3.161865 4.132271 
1 1 1    7   14  -16 o  338.844   1.7423 33162.76  340.940 32779.44  478.297 33558.73  486.124  336.854   2.4585  340.834   2.4696 -3.980072 3.484669 
1 1 1    7   15  -16 o  111.379   2.2084  3581.74  141.472  3616.75  210.329  3552.82  191.181  111.873   3.2553  110.886   2.9853 0.9867706 4.416873 
1 1 1    7   16  -16 o  378.961   2.1870 41485.98  478.662   0.0000   0.0000 41485.98  478.662  ?   ?   378.961   2.1870      ?      ? 
1 1 1    7   17  -16 o  419.517   2.3779 51169.27  481.577 51417.58  547.925 50326.21  1009.62  421.877   2.2488  417.157   4.1906 4.720123 4.755829 
1 1 1    7   18  -16 o  122.456   1.7627  4367.52  117.325  4437.71  144.043  4229.16  202.235  123.942   2.0123  120.970   2.8946 2.971825 3.525349 
1 1 1    7   19  -16 o  312.512   2.0534 28356.07  345.303 28585.48  419.125 27871.34  609.233  314.539   2.3072  310.484   3.3975 4.054626 4.106834 
1 1 1    7   20  -16 o  417.657   1.9823 50423.33  477.447 50500.43  657.875 50337.54  693.995  418.005   2.7251  417.310   2.8795 0.6957703 3.964507 
1 1 1    7   21  -16 o  382.619   2.3057 42450.35  473.263 42650.16  572.454 42018.89  841.201  384.144   2.5802  381.094   3.8219 3.050446 4.611377 
1 1 1    7   22  -16 o   85.658   3.3516  2205.96  150.528  1928.35  269.132  2332.34  181.587   81.525   5.7160   89.791   3.5016 -8.266144 6.703235 
1 1 1    7   23  -16 o  275.057   1.3462 21969.24  186.361 22083.84  216.171 21637.51  367.771  276.501   1.3537  273.614   2.3273 2.886688 2.692360 
1 1 1    7   24  -16 o   48.810   3.7882  687.462  100.251  680.103  121.982  702.778  175.973   48.450   4.3593   49.169   6.1968 -0.7188759 7.576500 
1 1 1    7   25  -16 f   85.560   3.0736  2084.84  138.404  2034.71  163.820  2209.87  258.704   83.853   3.3827   87.268   5.1329 -3.415428 6.147299 
1 1 1    7   26  -16 o  172.714   1.9488  8637.50  124.009  8640.74  131.837  8612.59  365.323  172.952   1.3199  172.477   3.6674 0.4754181 3.897696 
1 1 1    7   27  -16 o  170.645   1.9658  8411.71  185.724  8386.55  231.576  8457.08  310.929  170.325   2.3541  170.966   3.1490 -0.6413116 3.931645 
1 1 1    7   28  -16 o  186.274   1.4984 10024.36  161.199 10024.36  161.199   0.0000   0.0000  186.274   1.4984  ?   ?       ?      ? 
1 1 1    7   29  -16 o  179.201   2.4463  9274.65  251.515  9484.47  379.934  9110.97  335.575  180.977   3.6349  177.424   3.2748 3.552826 4.892591 
1 1 1    7   30  -16 o  162.083   2.2810  7651.46  205.080  7778.58  257.646  7431.66  338.793  163.987   2.7204  160.180   3.6622 3.807205 4.562026 
1 1 1    7   31  -16 o  163.284   2.2991  7655.93  209.008  7487.48  261.383  7954.60  348.056  160.867   2.8134  165.700   3.6370 -4.833694 4.598106 
1 1 1    7   32  -16 o  203.200   2.0944 11816.41  223.252 12276.70  417.708 11632.34  264.144  205.839   3.5137  200.561   2.2804 5.278183 4.188803 
1 1 1    7   33  -16 o   80.733   3.6377  1848.96  136.494  1980.96  307.395  1816.54  152.335   82.290   6.4679   79.176   3.3313 3.113464 7.275442 
1 1 1    7   34  -16 o   77.077   4.1584  1695.33  149.288  1808.49  334.585  1667.19  166.814   78.369   7.3922   75.785   3.8112 2.584396 8.316897 
1 1 1    7   35  -16 o   38.426   5.9083  451.264  121.217  460.726  211.992  446.668  147.754   38.466   9.5789   38.386   6.9192 0.7973862E-01 11.81658 
1 1 1    7   36  -16 o  111.463   2.8238  3523.53  172.438  3910.19  301.746  3336.03  210.130  115.761   4.5133  107.166   3.3951 8.595024 5.647687 
1 1 1    7   37  -16 f   74.494   4.3367  1645.92  185.619  1573.31  272.893  1708.44  253.219   72.858   6.4853   76.130   5.7591 -3.271362 8.673327 
1 1 1    7   38  -16 o   32.154   6.7682  341.635  129.580  213.492  265.400  381.743  148.481   29.332   11.222   34.975   7.5703 -5.642435 13.53634 
1 1 1    7   39  -16 o   46.325   4.9759  684.802  116.312  588.707  207.678  728.720  140.397   42.984   8.6649   49.666   4.8945 -6.682636 9.951706 
1 1 1    7   40  -16 o   39.525   6.3645  458.222  137.627  328.201  167.359  729.818  241.882   31.727   8.8166   47.323   9.1813 -15.59673 12.72905 
1 1 1    7   41  -16 o   54.410   5.8086  1014.99  141.150  1073.87  161.322  822.730  291.513   60.032   4.6530   48.789   10.645 11.24227 11.61727 
1 1 1    7   42  -16 o   56.782   4.3599  995.667  142.251  952.139  208.722  1033.42  194.390   55.410   6.5221   58.154   5.7877 -2.743515 8.719873 
1 1 1    7   43  -16 o   16.012   5.6079 -169.7515   97.665 -119.3219  296.126 -175.9064  103.454   21.430   9.9532   10.594   5.1700 10.83575 11.21585 
1 1 1    7   44  -16 o   25.787   8.2561  223.003  139.085   0.0000   0.0000  223.003  139.085  ?   ?    25.787   8.2561      ?      ? 
1 1 1    7   45  -16 o   45.542   6.3202  719.739  153.457  724.220  265.309  717.487  188.119   43.862   10.593   47.223   6.8976 -3.360710 12.64048 
1 1 1    7   46  -16 o   33.678   6.2470  429.727  125.009  493.050  158.158  324.303  204.069   38.088   7.4567   29.268   10.025 8.819674 12.49404 
1 1 1    7    0  -17 o  189.732   2.4114 10390.91  263.826  9989.73  364.153 10834.12  382.754  185.881   3.3946  193.583   3.4259 -0.000000 0.000000 
1 1 1    7    1  -17 o  132.808   1.7707  5063.20  134.311  5298.19  207.918  4894.92  175.948  135.434   2.6581  130.182   2.3402 5.252365 3.541493 
1 1 1    7    2  -17 o  324.918   1.8180 30484.65  341.049 30836.33  489.679 30153.34  475.276  326.737   2.5949  323.100   2.5470 3.637146 3.636039 
1 1 1    7    3  -17 o  121.695   2.5846  4274.09  176.710  4299.15  285.517  4258.53  224.977  121.976   4.0529  121.413   3.2084 0.5632172 5.169154 
1 1 1    7    4  -17 o  329.201   1.6543 31435.21  306.204 31899.62  392.173 30709.97  490.086  332.337   2.0432  326.065   2.6025 6.272736 3.308698 
1 1 1    7    5  -17 o  582.717   3.1804 97989.16  1013.90 98596.75  1741.93 97677.86  1246.88  584.004   5.1645  581.430   3.7131 2.573975 6.360787 
1 1 1    7    6  -17 o  538.088   2.9818 83700.91  862.136 83601.78  1531.37 83746.90  1043.16  537.780   4.9305  538.396   3.3548 -0.6166382 5.963579 
1 1 1    7    7  -17 o  352.845   1.8044 35961.63  367.656 36019.23  524.238 35905.88  515.754  353.122   2.5705  352.568   2.5329 0.5545654 3.608736 
1 1 1    7    8  -17 o  175.714   1.5273  8943.53  149.948  8815.87  244.485  9020.50  189.849  174.701   2.4231  176.727   1.8600 -2.025986 3.054691 
1 1 1    7    9  -17 o  410.068   1.9444 48578.77  460.489 48867.80  649.965 48287.49  652.503  411.294   2.7362  408.843   2.7634 2.450928 3.888859 
1 1 1    7   10  -17 o  338.844   2.1652 33319.04  395.168 32763.37  696.018 33583.36  480.041  336.719   3.5791  340.969   2.4377 -4.250580 4.330354 
1 1 1    7   11  -17 o  191.657   1.7003 10514.49  156.380 10438.83  176.959 10784.21  334.117  190.115   1.6117  193.199   2.9944 -3.083832 3.400567 
1 1 1    7   12  -17 o  177.286   1.9444  9095.02  187.281  9123.45  229.053  9037.69  325.285  177.719   2.2316  176.853   3.1847 0.8658600 3.888738 
1 1 1    7   13  -17 o  390.098   1.6421 43921.26  363.932 43743.72  473.339 44177.96  569.163  389.148   2.1061  391.049   2.5201 -1.901184 3.284283 
1 1 1    7   14  -17 o  145.598   1.7194  6124.46  144.574  6193.66  204.504  6055.32  204.413  146.420   2.4183  144.775   2.4447 1.645096 3.438745 
1 1 1    7   15  -17 o  182.329   1.4748  9602.99  151.737  9601.57  194.832  9605.17  241.902  182.319   1.8503  182.340   2.2971 -0.2037048E-01 2.949600 
1 1 1    7   16  -17 o  193.115   1.7780 10906.22  176.688 11068.27  208.024 10486.58  334.757  195.747   1.8401  190.484   3.0429 5.263702 3.555987 
1 1 1    7   17  -17 o  232.839   1.7675 15660.34  237.689   0.0000   0.0000 15660.34  237.689  ?   ?   232.839   1.7675      ?      ? 
1 1 1    7   18  -17 o   71.286   2.5300  1471.67  104.002  1416.57  149.408  1523.47  144.858   69.987   3.6964   72.586   3.4554 -2.599541 5.059960 
1 1 1    7   19  -17 o  179.283   1.8127  9282.77  151.379  9300.34  334.922  9278.26  169.703  179.347   3.2334  179.219   1.6395 0.1280518 3.625346 
1 1 1    7   20  -17 o  170.865   1.9569  8435.03  193.106  8435.03  193.106   0.0000   0.0000  170.865   1.9569  ?   ?       ?      ? 
1 1 1    7   21  -17 o  221.886   1.3749 14205.45  172.993 14122.02  223.976 14328.83  272.359  221.091   1.7541  222.681   2.1177 -1.589584 2.749832 
1 1 1    7   22  -17 o  231.310   1.8645 15403.39  239.044 15240.79  297.939 15697.18  400.483  229.640   2.2464  232.981   2.9763 -3.340668 3.728932 
1 1 1    7   23  -17 o   86.197   2.6739  2156.60  129.845  2124.76  207.124  2177.22  166.658   85.647   4.1873   86.747   3.3265 -1.099838 5.347826 
1 1 1    7   24  -17 o  144.783   2.4475  6068.37  201.669  6056.90  312.902  6076.52  263.759  144.639   3.7458  144.927   3.1512 -0.2889862 4.894951 
1 1 1    7   25  -17 o  246.360   1.7733 17494.34  212.212 17449.23  241.626 17646.53  443.796  245.748   1.7024  246.972   3.1114 -1.224472 3.546661 
1 1 1    7   26  -17 o  140.107   1.5900  5676.32  128.231  5700.73  174.559  5647.69  188.992  140.440   2.1521  139.773   2.3412 0.6665039 3.180045 
1 1 1    7   27  -17 o  264.215   1.7618 19998.29  236.083 19799.11  273.940 20573.29  465.430  261.759   1.8120  266.670   3.0220 -4.911469 3.523631 
1 1 1    7   28  -17 o  163.245   1.6415  7682.32  142.361  7648.57  170.452  7760.16  258.863  162.690   1.8141  163.800   2.7363 -1.110031 3.283045 
1 1 1    7   29  -17 o  170.475   2.7422  8408.25  269.451  8235.00  368.077  8608.30  395.525  168.600   3.7800  172.350   3.9735 -3.749985 5.484324 
1 1 1    7   30  -17 o  125.317   2.2510  4546.46  162.682  4541.86  236.423  4550.59  224.197  125.248   3.2684  125.385   3.0960 -0.1371307 4.501930 
1 1 1    7   31  -17 o  303.525   2.4102 26680.57  422.431 26339.38  590.372 27038.52  604.702  301.543   3.3899  305.508   3.4272 -3.965240 4.820487 
1 1 1    7   32  -17 o  103.410   3.1494  3114.31  178.718  3131.19  221.048  3082.44  303.686  103.915   3.6832  102.906   5.1097 1.008743 6.298842 
1 1 1    7   33  -17 o  133.995   2.4722  5091.22  166.110  5442.04  336.074  4977.80  191.083  136.844   4.2523  131.146   2.5228 5.698212 4.944331 
1 1 1    7   34  -17 o  122.705   2.7458  4371.94  188.765  4387.05  306.911  4362.75  239.401  122.784   4.3280  122.626   3.3803 0.1574249 5.491635 
1 1 1    7   35  -17 o   62.457   3.3640  1115.71  114.416  1208.86  201.657  1071.49  138.946   64.235   5.4357   60.680   3.9648 3.555836 6.728016 
1 1 1    7   36  -17 o  100.314   2.4908  2910.33  143.807  3135.11  214.560  2726.99  193.773  103.798   3.5791   96.830   3.4650 6.968445 4.981572 
1 1 1    7   37  -17 o   27.809   6.8286  204.984  131.758  301.631  215.827  147.566  166.354   31.406   10.303   24.212   8.9650 7.194313 13.65730 
1 1 1    7   38  -17 o   23.428   6.9579 -45.8298  134.462  277.753  301.436 -126.2102  150.238   31.752   12.004   15.103   7.0397 16.64846 13.91589 
1 1 1    7   39  -17 o   33.324   6.1607  376.112  120.800  270.500  199.590  437.164  151.751   29.398   9.9150   37.250   7.3149 -7.851175 12.32135 
1 1 1    7   40  -17 o  134.845   2.2479  5287.65  175.064   0.0000   0.0000  5287.65  175.064  ?   ?   134.845   2.2479      ?      ? 
1 1 1    7   41  -17 o   45.058   4.6983  640.723  116.809  503.148  164.465  780.757  165.929   39.448   7.4927   50.667   5.6704 -11.21822 9.396502 
1 1 1    7   42  -17 o   37.594   9.1875  488.581  197.794   0.0000   0.0000  488.581  197.794  ?   ?    37.594   9.1875      ?      ? 
1 1 1    7   43  -17 o   80.961   3.8770  1915.24  168.347  2279.15  310.216  1763.33  200.427   85.398   6.2897   76.524   4.5349 8.873833 7.754089 
1 1 1    7   44  -17 o   17.726   5.5023   4.4131  106.237   23.979  167.808  -8.6744  137.243   18.919   8.2283   16.533   7.3073 2.386053 11.00459 
1 1 1    7   45  -17 o   16.696   5.6268 -116.7965  126.677 -215.5024  270.995 -89.1974  143.297   18.603   8.9001   14.789   6.8870 3.814094 11.25350 
1 1 1    7   46  -17 o   15.419   5.2468 -152.9941  125.719 -456.3258  274.110 -72.1897  141.476   15.946   7.9027   14.892   6.9038 1.053584 10.49357 
1 1 1    7    0  -18 o  185.227   2.0512  9905.19  203.967  9948.11  362.981  9885.39  246.577  185.489   3.3908  184.966   2.3090 -0.000000 0.000000 
1 1 1    7    1  -18 o  100.300   2.2445  2923.11  128.186  3013.80  169.240  2801.06  196.325  102.140   2.8689   98.461   3.4525 3.679329 4.488904 
1 1 1    7    2  -18 o  384.296   1.6836 42671.11  353.907 42698.38  435.553 42618.08  607.153  384.493   1.9614  384.099   2.7370 0.3947449 3.367212 
1 1 1    7    3  -18 o  544.156   2.6412 85522.29  827.615 85021.86  1126.48 86109.22  1219.95  542.441   3.5957  545.872   3.8696 -3.430847 5.282327 
1 1 1    7    4  -18 o  376.181   1.8595 40880.33  403.970 40609.51  572.678 41148.55  569.933  374.940   2.6446  377.421   2.6146 -2.481689 3.718922 
1 1 1    7    5  -18 o  450.374   2.2204 58673.22  576.249 57451.28  838.642 59766.16  793.138  445.918   3.2564  454.830   3.0194 -8.912140 4.440784 
1 1 1    7    6  -18 o  426.279   2.0380 52492.54  501.711 52800.64  715.090 52193.84  704.090  427.509   2.8962  425.048   2.8682 2.461823 4.076080 
1 1 1    7    7  -18 o  323.390   2.0681 30152.96  361.108 30387.17  637.034 30042.06  438.336  324.286   3.4013  322.493   2.3534 1.792786 4.136145 
1 1 1    7    8  -18 o   43.600   5.2011  558.252  127.035  662.692  185.032  465.127  174.721   47.842   6.6966   39.358   7.9599 8.483799 10.40214 
1 1 1    7    9  -18 o  126.743   1.8237  4617.99  129.160  4729.49  212.527  4552.68  162.642  127.943   2.8761  125.542   2.2432 2.401718 3.647450 
1 1 1    7   10  -18 o   35.986   6.5532  406.766  139.787  501.894  179.851  261.608  222.165   40.920   7.8962   31.052   10.461 9.867990 13.10647 
1 1 1    7   11  -18 o   89.727   1.9819  2329.04   98.039  2335.82  121.792  2316.55  165.239   89.920   2.3452   89.534   3.1955 0.3865509 3.963731 
1 1 1    7   12  -18 o  236.615   1.8250 16171.48  249.399 16171.48  249.399   0.0000   0.0000  236.615   1.8250  ?   ?       ?      ? 
1 1 1    7   13  -18 o   77.491   2.6300  1744.62  117.096  1906.09  163.335  1573.88  167.958   81.204   3.4827   73.778   3.9417 7.425453 5.259900 
1 1 1    7   14  -18 o  248.439   1.4072 17911.52  196.645 17464.51  314.236 18199.24  252.110  245.870   2.2129  251.009   1.7391 -5.139755 2.814490 
1 1 1    7   15  -18 o  245.942   1.7762 17602.32  211.063 17250.87  441.593 17706.38  240.285  244.297   3.1298  247.587   1.6804 -3.289200 3.552391 
1 1 1    7   16  -18 o   93.610   2.6628  2534.11  143.950  2515.90  202.148  2552.84  205.036   93.270   3.7527   93.951   3.7787 -0.6812668 5.325541 
1 1 1    7   17  -18 f  260.570   1.5334 19618.97  230.652 19569.20  330.958 19665.98  321.625  260.246   2.2019  260.893   2.1345 -0.6472168 3.066706 
1 1 1    7   18  -18 o   66.054   4.0658  1320.48  142.192  1419.08  173.691  1120.14  247.594   70.018   4.2952   62.090   6.9045 7.927921 8.131522 
1 1 1    7   19  -18 o  171.395   2.0113  8570.74  160.245  8625.02  179.830  8361.46  353.104  172.783   1.8021  170.006   3.5963 2.777313 4.022526 
1 1 1    7   20  -18 o  115.494   1.5093  3850.56  100.619  3979.02  145.295  3732.19  139.478  117.342   2.1439  113.645   2.1250 3.697128 3.018643 
1 1 1    7   21  -18 o  225.025   1.2371 14628.73  160.640 14655.90  232.158 14603.77  222.508  225.223   1.7848  224.827   1.7136 0.3962402 2.474251 
1 1 1    7   22  -18 o  243.862   1.8491 17287.38  219.130 17020.55  455.191 17367.88  250.006  242.549   3.2494  245.174   1.7656 -2.624985 3.698130 
1 1 1    7   23  -18 o   70.458   3.3926  1408.25  121.682  1374.43  141.046  1506.67  240.621   68.909   3.5441   72.007   5.7860 -3.098114 6.785115 
1 1 1    7   24  -18 o  144.223   1.8219  6037.23  147.922  6119.62  189.811  5909.78  236.059  145.503   2.2587  142.944   2.8594 2.558807 3.643884 
1 1 1    7   25  -18 o  155.538   1.5733  6976.53  136.019  6933.27  170.329  7052.66  225.980  154.895   1.9040  156.182   2.5053 -1.287140 3.146675 
1 1 1    7   26  -18 o  336.077   2.4862 32768.21  423.838 32845.67  493.382 32550.05  827.976  337.038   2.5347  335.116   4.2780 1.922119 4.972467 
1 1 1    7   27  -18 o  109.427   3.1033  3496.39  185.004  3547.28  227.609  3397.30  317.589  110.685   3.5605  108.169   5.0837 2.515511 6.206531 
1 1 1    7   28  -18 o  141.141   2.0547  5759.98  167.389  5668.33  232.006  5859.49  241.742  139.974   2.8699  142.308   2.9413 -2.333984 4.109444 
1 1 1    7   29  -18 o  101.183   2.8489  2828.39  124.091  2762.09  135.216  3182.30  312.412   97.732   2.3956  104.634   5.1697 -6.902603 5.697780 
1 1 1    7   30  -18 o  164.614   2.2228  7755.29  196.785  7602.05  237.147  8094.10  352.626  162.110   2.5329  167.118   3.6535 -5.007599 4.445622 
1 1 1    7   31  -18 o   35.468   6.9569  377.566  146.762  450.186  225.173  323.933  193.511   38.211   10.064   32.725   9.6081 5.486538 13.91386 
1 1 1    7   32  -18 o  112.315   2.9161  3773.11  158.583  3463.41  324.768  3870.08  181.721  109.013   5.1583  115.618   2.7214 -6.604965 5.832207 
1 1 1    7   33  -18 o   61.543   5.9033  1138.89  206.392  1023.49  311.012  1229.70  275.898   58.541   9.1988   64.546   7.4011 -6.004597 11.80652 
1 1 1    7   34  -18 o  111.972   2.9621  3589.33  179.302  3825.96  319.510  3480.56  216.627  114.465   4.8331  109.478   3.4261 4.987015 5.924270 
1 1 1    7   35  -18 o   99.378   2.6523  2860.88  151.824  3079.91  224.917  2677.54  205.780  102.847   3.7866   95.909   3.7150 6.938324 5.304636 
1 1 1    7   36  -18 o   60.566   4.9103  1100.93  166.744  1120.28  213.120  1070.39  267.739   61.509   5.9993   59.623   7.7752 1.885258 9.820658 
1 1 1    7   37  -18 o  114.168   2.5337  3861.57  127.939  3717.98  299.054  3893.74  141.546  112.440   4.6051  115.895   2.1147 -3.455177 5.067470 
1 1 1    7   38  -18 o   23.730   6.4270   80.028  138.805 -110.7900  196.533  269.942  196.067   18.054   8.2852   29.407   9.8276 -11.35287 12.85405 
1 1 1    7   39  -18 o   52.919   4.7043  752.055  128.107  1104.76  262.916  642.248  146.699   59.593   7.6390   46.246   5.4925 13.34770 9.408617 
1 1 1    7   40  -18 o   51.478   6.2746  914.303  157.957  974.305  186.918  764.414  295.430   56.637   5.7143   46.319   11.173 10.31807 12.54917 
1 1 1    7   41  -18 o   53.326   3.7464  850.523  114.207  1040.13  172.475  702.472  152.407   58.641   5.0926   48.012   5.4962 10.62816 7.492899 
1 1 1    7   42  -18 o   66.825   3.6416  1354.20  140.300  1265.79  192.072  1455.34  205.430   64.490   5.1569   69.159   5.1431 -4.669777 7.283202 
1 1 1    7   43  -18 o   31.892   5.9733  342.946  109.038  396.077  178.925  311.557  137.525   33.483   9.0409   30.302   7.8092 3.180304 11.94664 
1 1 1    7   44  -18 o   51.789   6.5064  1005.72  149.820  815.964  317.092  1060.25  169.991   44.791   12.011   58.786   5.0069 -13.99471 13.01278 
1 1 1    7   45  -18 o   21.271   6.4764   78.967  145.881 -134.9364  286.464  153.863  169.508   19.955   9.4322   22.587   8.8774 -2.632065 12.95275 
1 1 1    7    0  -19 o  147.627   1.7717  6305.92  150.733  6422.10  208.650  6179.11  217.994  149.057   2.4252  146.197   2.5836 -0.000000 0.000000 
1 1 1    7    1  -19 o  226.572   1.5491 14848.98  201.770 14603.36  298.781 15054.91  273.574  224.844   2.3008  228.301   2.0748 -3.456284 3.098189 
1 1 1    7    2  -19 o   94.024   2.3433  2527.28  124.890  2692.40  199.171  2420.29  160.326   96.523   3.5728   91.525   3.0330 4.997948 4.686630 
1 1 1    7    3  -19 o  215.226   1.1899 13388.14  147.118 13471.58  198.445 13286.32  219.215  215.973   1.5909  214.479   1.7697 1.494034 2.379701 
1 1 1    7    4  -19 o  263.664   1.6150 20070.68  245.644 20297.06  357.013 19867.15  338.511  265.073   2.3320  262.255   2.2349 2.818695 3.230056 
1 1 1    7    5  -19 o   48.849   4.3576  695.210  114.220  703.030  138.430  678.531  202.167   49.304   4.8614   48.393   7.2333 0.9106827 8.715185 
1 1 1    7    6  -19 o  287.826   1.5865 23927.76  263.170 23977.96  385.102 23883.79  360.475  288.106   2.3144  287.546   2.1706 0.5601807 3.173017 
1 1 1    7    7  -19 o  178.660   1.7947  9197.43  174.838  9148.90  214.154  9294.43  302.765  177.968   2.0835  179.352   2.9229 -1.383957 3.589490 
1 1 1    7    8  -19 o   62.025   2.8673  1139.56   98.776  1227.40  126.576  1002.76  157.961   65.169   3.3630   58.882   4.6450 6.286499 5.734591 
1 1 1    7    9  -19 o   81.847   4.2438  1937.14  200.608   0.0000   0.0000  1937.14  200.608  ?   ?    81.847   4.2438      ?      ? 
1 1 1    7   10  -19 f  247.917   2.2207 17755.88  317.965 17755.88  317.965   0.0000   0.0000  247.917   2.2207  ?   ?       ?      ? 
1 1 1    7   11  -19 o  116.448   1.9852  3925.01  131.480  3956.79  171.977  3880.30  203.974  117.023   2.5446  115.872   3.0480 1.150787 3.970499 
1 1 1    7   12  -19 o  150.125   2.2720  6485.48  194.551  6336.76  254.476  6694.69  301.815  148.073   2.9757  152.177   3.4340 -4.103622 4.543931 
1 1 1    7   13  -19 f  100.420   2.9249  2969.06  160.451  2751.52  270.455  3087.21  199.316   97.500   4.8029  103.339   3.3396 -5.838112 5.849856 
1 1 1    7   14  -19 o  189.220   2.0206 10442.55  180.596 10513.17  203.843 10184.86  389.408  190.769   1.8501  187.671   3.5927 3.098770 4.041112 
1 1 1    7   15  -19 o   83.884   3.3528  2004.24  147.033  1961.02  173.317  2115.21  277.711   82.343   3.6444   85.426   5.6288 -3.083549 6.705647 
1 1 1    7   16  -19 o   92.181   3.3288  2457.28  177.219   0.0000   0.0000  2457.28  177.219  ?   ?    92.181   3.3288      ?      ? 
1 1 1    7   17  -19 o  137.415   1.7431  5456.89  138.332  5536.13  196.743  5379.42  194.538  138.402   2.4613  136.429   2.4690 1.973282 3.486244 
1 1 1    7   18  -19 o  230.221   1.8549 15258.45  232.418 15135.17  283.967 15508.63  404.522  228.857   2.1484  231.584   3.0245 -2.727158 3.709857 
1 1 1    7   19  -19 o  100.742   2.3935  2931.02  138.738  2993.91  206.257  2879.05  187.494  101.720   3.5109   99.764   3.2541 1.956238 4.787006 
1 1 1    7   20  -19 o  295.327   1.4774 25184.33  236.049 25145.49  287.214 25265.17  414.343  295.016   1.6857  295.639   2.4267 -0.6231079 2.954709 
1 1 1    7   21  -19 f   58.265   4.8761  984.264  139.596  980.111  159.752  997.675  287.094   58.138   4.7577   58.393   8.5130 -0.2542229 9.752260 
1 1 1    7   22  -19 o  139.668   2.3435  5606.81  185.066  5827.84  295.950  5464.87  237.154  141.885   3.6116  137.450   2.9875 4.435745 4.687030 
1 1 1    7   23  -19 o  208.751   1.4049 12638.55  166.208 12834.58  216.106 12354.70  260.055  210.756   1.7754  206.746   2.1779 4.009628 2.809889 
1 1 1    7   24  -19 o  110.118   2.3467  3532.76  123.886  3551.67  140.588  3467.07  262.057  110.849   2.1960  109.387   4.1481 1.462090 4.693491 
1 1 1    7   25  -19 o   78.765   2.5872  1773.82  115.265  1691.01  147.208  1905.03  185.312   76.437   3.3346   81.092   3.9568 -4.655472 5.174489 
1 1 1    7   26  -19 o  219.681   2.0596 13975.88  247.980 14007.68  305.988 13915.01  423.286  220.108   2.4070  219.253   3.3427 0.8552399 4.119194 
1 1 1    7   27  -19 o  159.704   2.6691  7383.47  245.720  7479.37  359.746  7299.60  336.425  160.661   3.8770  158.747   3.6694 1.914200 5.338171 
1 1 1    7   28  -19 f  169.906   2.5697  8365.48  252.025  8426.17  351.394  8301.20  361.663  170.551   3.5674  169.262   3.6996 1.289597 5.139436 
1 1 1    7   29  -19 o  108.882   2.0130  3388.71  107.349  3351.89  122.426  3511.18  223.281  107.681   1.9686  110.083   3.5119 -2.402199 4.026034 
1 1 1    7   30  -19 o   72.256   4.2201  1443.18  155.091  1360.65  178.494  1697.45  313.305   68.430   4.5164   76.081   7.1302 -7.651070 8.440260 
1 1 1    7   31  -19 o   84.303   3.6048  2113.74  169.230  2256.54  217.095  1892.58  270.174   88.120   4.2657   80.486   5.8122 7.634888 7.209547 
1 1 1    7   32  -19 o   60.351   3.9475  1046.57  135.292  970.809  173.640  1163.62  215.834   57.667   5.2136   63.035   5.9286 -5.367542 7.894926 
1 1 1    7   33  -19 o   99.070   3.2819  2815.47  179.118  3021.13  307.548  2709.90  220.346  101.624   5.2400   96.515   3.9530 5.108902 6.563816 
1 1 1    7   34  -19 o   51.393   6.1323  937.769  136.139  602.839  289.520  1032.85  154.257   43.321   11.412   59.465   4.4916 -16.14341 12.26450 
1 1 1    7   35  -19 o   38.949   6.6668  508.370  137.387  369.940  279.589  552.436  157.745   34.752   11.735   43.146   6.3304 -8.393497 13.33356 
1 1 1    7   36  -19 o   67.872   4.2131  1327.07  157.907  1231.45  193.660  1516.76  272.760   64.575   5.1926   71.169   6.6360 -6.593460 8.426159 
1 1 1    7   37  -19 o   52.862   4.8207  867.092  142.727  722.085  217.295  977.123  189.285   48.518   7.7547   57.206   5.7291 -8.687992 9.641459 
1 1 1    7   38  -19 f   76.278   3.9821  1768.77  169.671  1839.43  217.161  1658.05  271.847   78.672   4.7794   73.883   6.3708 4.788490 7.964272 
1 1 1    7   39  -19 o   18.619   5.9089 -22.5206  120.388 -114.2489  239.493   8.4952  139.262   19.722   9.0860   17.516   7.5567 2.206150 11.81779 
1 1 1    7   40  -19 o   61.103   4.6490  1119.60  164.062   0.0000   0.0000  1119.60  164.062  ?   ?    61.103   4.6490      ?      ? 
1 1 1    7   41  -19 o   49.335   6.0111  800.403  159.898  848.769  268.767  773.906  198.933   49.227   9.7979   49.443   6.9666 -0.2153282 12.02214 
1 1 1    7   42  -19 o   97.971   3.5227  2920.51  199.312  2915.24  280.428  2925.89  283.336   97.904   4.9595   98.038   5.0041 -0.1340027 7.045349 
1 1 1    7   43  -19 o   32.377   7.4080  399.833  155.423  359.545  278.034  418.144  187.445   30.732   11.548   34.022   9.2818 -3.290201 14.81598 
1 1 1    7   44  -19 o   52.772   6.2387  952.190  172.794  900.493  209.005  1063.84  307.148   52.530   6.8891   53.014   10.403 -0.4841728 12.47742 
1 1 1    7    0  -20 o   60.493   5.5011  1095.60  181.990  1227.56  279.758  998.784  239.623   63.695   7.9377   57.292   7.6185 -0.000000 0.000000 
1 1 1    7    1  -20 o  172.495   1.5871  8594.94  157.916  8605.10  229.193  8585.76  217.891  172.590   2.2993  172.399   2.1884 0.1909485 3.174229 
1 1 1    7    2  -20 o   61.383   3.9108  1103.38  136.883  1202.41  185.166  984.060  203.260   64.469   4.9731   58.298   6.0369 6.171616 7.821501 
1 1 1    7    3  -20 o   73.145   2.8962  1523.34  120.233  1670.21  191.867  1428.38  154.282   75.997   4.3714   70.293   3.8003 5.704636 5.792356 
1 1 1    7    4  -20 o  142.717   1.4870  5883.40  122.561  5839.44  172.498  5928.22  174.169  142.179   2.1007  143.255   2.1051 -1.076599 2.973966 
1 1 1    7    5  -20 o  231.291   1.8183 15465.46  209.895 15437.29  420.924 15474.78  242.149  231.120   3.1534  231.461   1.8114 -0.3412781 3.636653 
1 1 1    7    6  -20 o   73.762   2.5016  1578.80  105.540  1526.72  159.351  1619.51  140.866   72.668   3.7968   74.856   3.2583 -2.187248 5.003272 
1 1 1    7    7  -20 o  262.709   1.3796 19861.78  196.563 20152.47  344.375 19721.32  239.389  264.115   2.2576  261.303   1.5863 2.811859 2.759195 
1 1 1    7    8  -20 o  166.421   1.5206  8012.70  140.672  8044.14  176.612  7958.15  232.655  166.877   1.8325  165.964   2.4272 0.9131775 3.041295 
1 1 1    7    9  -20 f  347.097   2.0068 34769.18  348.930 34912.04  696.871 34721.39  403.100  347.507   3.4722  346.688   2.0132 0.8197632 4.013617 
1 1 1    7   10  -20 o  289.112   1.9937 24172.07  310.784 24112.20  548.295 24200.42  377.237  288.807   3.2872  289.417   2.2569 -0.6101685 3.987343 
1 1 1    7   11  -20 o  215.388   2.2467 13411.92  277.473 13418.94  370.879 13402.99  418.176  215.465   2.9804  215.310   3.3629 0.1556702 4.493490 
1 1 1    7   12  -20 o  186.582   1.6015 10060.07  172.518 10005.58  246.804 10112.14  241.246  186.086   2.2964  187.077   2.2328 -0.9914093 3.202978 
1 1 1    7   13  -20 o  113.099   2.8922  3696.79  188.763  3596.06  260.580  3808.02  273.812  111.482   4.0472  114.716   4.1328 -3.233681 5.784423 
1 1 1    7   14  -20 o  126.696   2.3129  4612.13  162.020  4743.77  273.565  4541.00  201.079  128.055   3.6989  125.337   2.7778 2.718208 4.625834 
1 1 1    7   15  -20 o  208.751   1.9124 12587.18  210.641 12619.96  386.917 12573.38  251.117  208.900   3.2070  208.601   2.0844 0.2993927 3.824805 
1 1 1    7   16  -20 o   49.995   5.0277  729.371  142.304  738.143  184.517  716.495  223.549   50.406   6.3382   49.585   7.8062 0.8215752 10.05533 
1 1 1    7   17  -20 o  137.412   2.1618  5456.71  171.561   0.0000   0.0000  5456.71  171.561  ?   ?   137.412   2.1618      ?      ? 
1 1 1    7   18  -20 o  225.198   1.4369 14678.64  182.747 14542.13  289.922 14768.64  235.399  224.311   2.2379  226.085   1.8028 -1.774139 2.873744 
1 1 1    7   19  -20 o  229.540   1.7872 15232.26  189.816 15232.10  212.338 15232.91  423.510  229.616   1.6012  229.464   3.1957 0.1517181 3.574374 
1 1 1    7   20  -20 o  126.977   2.4809  4751.29  137.525  4797.22  151.591  4537.71  326.920  128.839   2.0372  125.115   4.5243 3.724182 4.961766 
1 1 1    7   21  -20 o  106.650   2.8848  3379.76  139.747  3434.53  156.073  3158.30  313.842  108.993   2.4794  104.308   5.2097 4.685570 5.769585 
1 1 1    7   22  -20 f  253.956   1.5231 18647.93  218.977 18605.22  345.583 18676.58  283.052  253.690   2.3587  254.222   1.9278 -0.5320892 3.046275 
1 1 1    7   23  -20 o  139.503   1.9169  5643.47  148.917  5569.56  244.809  5686.88  187.622  138.748   3.0550  140.258   2.3162 -1.509277 3.833775 
1 1 1    7   24  -20 f  213.024   1.5887 13111.13  195.462   0.0000   0.0000 13111.13  195.462  ?   ?   213.024   1.5887      ?      ? 
1 1 1    7   25  -20 o  218.868   1.7004 13846.02  214.905 14117.32  307.270 13586.23  300.680  220.966   2.4077  216.770   2.4017 4.195526 3.400795 
1 1 1    7   26  -20 o  178.749   2.1333  9236.42  198.209  9268.50  373.420  9223.84  233.875  178.883   3.6145  178.615   2.2671 0.2675629 4.266642 
1 1 1    7   27  -20 o  149.797   2.0812  6494.18  180.007  6482.74  257.279  6505.15  251.943  149.664   2.9765  149.930   2.9096 -0.2658691 4.162322 
1 1 1    7   28  -20 f   48.085   6.9988  757.671  169.715  828.923  198.973  567.409  325.139   53.269   6.4674   42.901   12.414 10.36803 13.99764 
1 1 1    7   29  -20 f   77.534   4.1628  1774.82  181.620  1854.03  235.100  1657.59  286.021   79.806   5.1007   75.261   6.5803 4.545593 8.325675 
1 1 1    7   30  -20 o  210.198   2.4584 12785.91  298.446 12785.91  298.446   0.0000   0.0000  210.198   2.4584  ?   ?       ?      ? 
1 1 1    7   31  -20 o   78.527   4.3111  1866.55  182.611  1992.95  226.214  1630.09  309.403   82.700   4.7362   74.355   7.2050 8.345451 8.622229 
1 1 1    7   32  -20 o  167.025   2.2446  8124.15  207.238  8198.28  258.745  7991.51  346.120  168.210   2.6634  165.841   3.6137 2.369247 4.489134 
1 1 1    7   33  -20 o   21.468   6.8594 -134.8992  176.082 -211.6442  222.696  -6.8911  287.612   18.015   8.4530   24.920   10.805 -6.905550 13.71877 
1 1 1    7   34  -20 o   56.925   6.0274  986.239  197.238  1056.71  273.752  910.161  284.426   59.207   8.0057   54.642   9.0127 4.565086 12.05488 
1 1 1    7   35  -20 o   13.104   4.6544 -636.9894  156.498 -474.1346  199.447 -897.8933  252.445   13.331   6.6296   12.876   6.5347 0.4556208 9.308834 
1 1 1    7   36  -20 o   91.630   3.1883  2507.25  164.530  2644.21  214.103  2309.72  257.120   94.959   3.9039   88.302   5.0418 6.657211 6.376513 
1 1 1    7   37  -20 o   73.041   4.7286  1595.42  197.518  1395.04  258.616  1875.93  305.987   67.683   6.6159   78.399   6.7578 -10.71561 9.457192 
1 1 1    7   38  -20 o   13.332   4.6571 -375.2534  130.858 -408.7585  186.111 -342.4935  184.029   13.032   6.4677   13.632   6.7026 -0.6005268 9.314282 
1 1 1    7   39  -20 o   67.964   3.1500  1392.28  120.110  1323.14  191.256  1437.31  154.342   66.264   4.9975   69.663   3.8361 -3.398674 6.300060 
1 1 1    7   40  -20 o   30.151   6.9846  317.889  145.090  219.796  214.598  400.483  196.916   26.625   10.113   33.677   9.6364 -7.052107 13.96922 
1 1 1    7   41  -20 o   75.612   3.8011  1731.02  130.252  1784.18  296.663  1718.32  144.973   74.956   6.8528   76.267   3.2913 -1.310783 7.602194 
1 1 1    7   42  -20 o   69.059   3.9967  1555.61  134.450  1320.17  262.487  1639.35  156.546   63.926   7.1095   74.192   3.6534 -10.26540 7.993306 
1 1 1    7   43  -20 o   69.449   4.1934  1457.77  168.199   0.0000   0.0000  1457.77  168.199  ?   ?    69.449   4.1934      ?      ? 
1 1 1    7   44  -20 o   15.870   5.4971 -224.4881  140.728 -261.7434  284.977 -212.4730  161.837   18.189   8.8082   13.550   6.5793 4.639619 10.99422 
1 1 1    7    0  -21 o   24.051   8.1022  246.441  139.999  131.277  220.430  324.302  181.249   19.682   11.538   28.420   11.378 -0.000000 0.000000 
1 1 1    7    1  -21 o  142.666   1.6413  5891.11  133.298  5816.43  206.078  5944.84  174.788  141.881   2.5149  143.451   2.1097 -1.569824 3.282614 
1 1 1    7    2  -21 o  220.311   1.4106 14037.05  174.933 13950.44  280.326 14092.29  223.872  219.745   2.2088  220.878   1.7549 -1.132645 2.821110 
1 1 1    7    3  -21 o  169.037   1.3616  8211.01  128.651  8423.30  211.602  8086.53  162.039  170.754   2.1457  167.319   1.6768 3.434265 2.723177 
1 1 1    7    4  -21 o   65.823   4.4615  1309.86  132.181  1170.16  296.767  1344.44  147.634   63.459   8.0973   68.187   3.7489 -4.728302 8.922998 
1 1 1    7    5  -21 o  324.148   1.3826 30354.46  258.823 30223.29  367.637 30483.37  364.445  323.453   1.9680  324.843   1.9426 -1.390289 2.765231 
1 1 1    7    6  -21 o  427.057   2.5173 52987.44  581.522 52003.14  1015.36 53467.90  709.393  423.994   4.1464  430.120   2.8557 -6.126251 5.034667 
1 1 1    7    7  -21 o  104.854   2.0811  3179.96  121.726  3169.14  199.806  3186.35  153.500  104.699   3.3043  105.008   2.5310 -0.3086395 4.162280 
1 1 1    7    8  -21 o  224.428   1.2590 14552.73  163.099 14458.10  234.141 14641.93  227.323  223.717   1.8121  225.138   1.7483 -1.420593 2.518000 
1 1 1    7    9  -21 o   74.997   3.1511  1626.55  136.193  1648.27  199.844  1607.71  186.101   75.459   4.5856   74.535   4.3232 0.9241943 6.302173 
1 1 1    7   10  -21 f  177.741   2.0792  8988.94  185.888  8844.70  214.441  9424.96  372.845  174.963   2.1222  180.520   3.5762 -5.557495 4.158422 
1 1 1    7   11  -21 o   66.415   2.7832  1268.14  104.935  1233.82  135.551  1319.46  165.769   65.312   3.5936   67.518   4.2511 -2.206200 5.566468 
1 1 1    7   12  -21 o  143.852   1.7056  6001.95  138.816  6090.68  179.844  5871.17  218.337  145.184   2.1448  142.520   2.6526 2.663864 3.411209 
1 1 1    7   13  -21 o  163.075   1.3987  7675.07  131.646  7924.88  190.427  7446.38  182.199  165.613   1.9909  160.536   1.9651 5.076416 2.797373 
1 1 1    7   14  -21 o  213.168   1.3872 13164.64  167.473 12948.99  263.015 13311.70  217.194  211.683   2.1513  214.653   1.7520 -2.969940 2.774468 
1 1 1    7   15  -21 o   94.940   2.7757  2620.52  128.788  2588.50  265.532  2630.38  147.270   94.496   4.8654   95.385   2.6733 -0.8890839 5.551481 
1 1 1    7   16  -21 f  100.500   2.4890  2920.52  144.378  2779.86  201.340  3069.42  207.145   98.008   3.5570  102.991   3.4825 -4.982544 4.977935 
1 1 1    7   17  -21 o  215.576   1.8637 13413.55  226.839 13546.83  361.901 13327.31  291.124  216.429   2.8953  214.723   2.3475 1.705414 3.727412 
1 1 1    7   18  -21 o  182.567   2.0961  9638.67  183.545  9637.04  208.033  9644.38  389.936  182.615   1.9725  182.518   3.6991 0.9672546E-01 4.192169 
1 1 1    7   19  -21 o  209.195   2.1631 12656.35  260.021 12696.52  388.056 12623.61  350.286  209.477   3.2075  208.912   2.9032 0.5650940 4.326294 
1 1 1    7   20  -21 o   44.005   7.1944  564.853  182.846  564.853  182.846   0.0000   0.0000   44.005   7.1944  ?   ?       ?      ? 
1 1 1    7   21  -21 o  134.523   2.0378  5139.85  136.656  5050.08  156.889  5422.14  278.201  132.187   2.0550  136.860   3.5196 -4.672302 4.075659 
1 1 1    7   22  -21 o  242.264   1.5597 17025.76  211.269 17210.73  267.933 16721.71  343.517  244.041   1.9010  240.488   2.4733 3.553177 3.119414 
1 1 1    7   23  -21 o   62.767   3.3872  1137.96  121.298  1110.71  158.751  1176.18  188.024   61.890   4.4413   63.644   5.1152 -1.754601 6.774299 
1 1 1    7   24  -21 o  194.705   1.7310 10975.69  194.158 11172.93  266.659 10753.14  283.254  196.580   2.3487  192.831   2.5434 3.748734 3.461988 
1 1 1    7   25  -21 o   48.855   5.1584  693.631  145.550   0.0000   0.0000  693.631  145.550  ?   ?    48.855   5.1584      ?      ? 
1 1 1    7   26  -21 f  129.342   1.9495  4835.69  145.626   0.0000   0.0000  4835.69  145.626  ?   ?   129.342   1.9495      ?      ? 
1 1 1    7   27  -21 o   89.384   2.2485  2314.82  115.699  2301.00  170.359  2326.66  157.628   89.126   3.3096   89.643   3.0446 -0.5168762 4.497004 
1 1 1    7   28  -21 o  181.819   1.9361  9590.68  201.796  9382.86  302.702  9756.93  270.732  180.014   2.9116  183.624   2.5528 -3.610291 3.872227 
1 1 1    7   29  -21 o  146.460   2.5619  6188.72  206.140  6336.44  352.432  6111.90  254.149  147.678   4.1321  145.243   3.0298 2.435043 5.123866 
1 1 1    7   30  -21 o   76.861   3.4670  1720.06  153.733  1782.60  223.938  1664.30  211.424   78.172   4.9601   75.551   4.8454 2.621010 6.934026 
1 1 1    7   31  -21 f   96.537   3.5354  2794.56  182.738  2927.42  223.480  2526.47  317.447  100.324   3.8570   92.751   5.9261 7.573677 7.070700 
1 1 1    7   32  -21 o   70.863   3.3061  1459.22  135.305  1459.22  135.305   0.0000   0.0000   70.863   3.3061  ?   ?       ?      ? 
1 1 1    7   33  -21 o   83.947   2.8080  2079.84  130.753  1972.20  214.389  2143.58  164.990   82.064   4.5234   85.830   3.3284 -3.765671 5.615955 
1 1 1    7   34  -21 o   26.390   7.7444   96.014  194.594  138.175  273.981   53.095  276.432   27.384   11.108   25.396   10.794 1.987652 15.48885 
1 1 1    7   35  -21 o  118.852   3.4875  4179.73  239.307  4191.80  334.444  4167.08  342.564  119.067   4.8635  118.636   4.9996 0.4302139 6.974954 
1 1 1    7   36  -21 o   71.391   3.2327  1520.26  130.566  1567.19  170.128  1453.02  203.659   72.938   4.0387   69.844   5.0488 3.093925 6.465396 
1 1 1    7   37  -21 o   47.493   6.6586  794.803  162.128  626.505  294.196  868.209  194.295   41.703   11.725   53.283   6.3138 -11.57935 13.31711 
1 1 1    7   38  -21 o   18.331   5.7950 -49.5765  131.010 -296.3689  238.116   57.565  156.892   16.844   8.1312   19.818   8.2589 -2.974438 11.58992 
1 1 1    7   39  -21 o   26.824   7.1958  218.141  137.086  198.262  300.138  223.381  154.099   27.594   11.455   26.053   8.7125 1.541140 14.39164 
1 1 1    7   40  -21 o   67.179   4.6452  1421.80  159.868  1414.05  303.129  1424.78  188.165   65.720   7.9863   68.639   4.7466 -2.919495 9.290399 
1 1 1    7   41  -21 o   44.072   5.4874  632.762  135.585  764.948  207.819  534.800  178.904   48.481   7.4220   39.662   8.0844 8.819450 10.97473 
1 1 1    7   42  -21 f   74.040   3.1445  1630.98  124.623  1754.82  225.699  1576.67  149.476   75.374   5.1847   72.707   3.5596 2.666275 6.289080 
1 1 1    7   43  -21 o   49.828   6.3019  905.995  149.247  844.476  296.249  926.919  172.774   45.398   11.334   54.257   5.5136 -8.859543 12.60380 
1 1 1    7    0  -22 o  256.924   2.0431 19023.86  271.878 19200.66  515.772 18955.83  319.938  257.701   3.4668  256.147   2.1630 -0.000000 0.000000 
1 1 1    7    1  -22 o  110.525   2.3250  3524.55  130.718  3516.45  152.214  3547.32  255.135  110.315   2.3891  110.734   3.9894 -0.4193192 4.650027 
1 1 1    7    2  -22 o  186.736   1.4474 10067.29  154.553 10124.74  236.089 10024.21  204.451  187.196   2.1837  186.277   1.9004 0.9194489 2.894839 
1 1 1    7    3  -22 o   12.827   4.5528 -572.1824  142.019 -523.6252  181.927 -647.9373  227.236   12.096   6.0631   13.559   6.7933 -1.462660 9.105502 
1 1 1    7    4  -22 f   61.234   3.7026  1083.97  130.078  1105.98  196.421  1066.78  173.601   61.776   5.5053   60.692   4.9526 1.084072 7.405177 
1 1 1    7    5  -22 o   91.293   2.3716  2404.86  121.450  2431.67  197.274  2388.50  154.120   91.688   3.7254   90.899   2.9357 0.7886505 4.743105 
1 1 1    7    6  -22 o   45.903   3.6759  610.820   97.382  620.473  135.832  600.612  139.685   46.279   5.0819   45.526   5.3126 0.7534370 7.351846 
1 1 1    7    7  -22 o  105.857   2.3801  3248.52  139.368  3268.42  173.983  3212.87  232.820  106.333   2.8331  105.381   3.8254 0.9521255 4.760214 
1 1 1    7    8  -22 o  101.788   1.9458  2977.78  109.847  2934.49  136.893  3056.05  184.077  100.769   2.3522  102.807   3.1002 -2.038048 3.891517 
1 1 1    7    9  -22 o  204.318   1.4499 12060.61  166.628 12068.99  268.067 12055.33  212.714  204.363   2.2712  204.274   1.8030 0.8856201E-01 2.899866 
1 1 1    7   10  -22 o  236.409   1.8972 16202.06  247.624 15998.78  415.252 16314.24  308.471  235.218   3.0567  237.600   2.2479 -2.381943 3.794311 
1 1 1    7   11  -22 o  330.878   2.3325 31656.78  445.198 31879.66  646.777 31456.10  613.733  331.972   3.3734  329.784   3.2223 2.187622 4.665078 
1 1 1    7   12  -22 o  175.098   1.5304  8855.34  151.888  8835.08  196.647  8885.31  239.138  174.862   1.9472  175.333   2.3616 -0.4712372 3.060795 
1 1 1    7   13  -22 o  119.147   1.9461  4101.74  133.627  4062.13  182.663  4147.35  195.995  118.533   2.6682  119.761   2.8336 -1.227867 3.892167 
1 1 1    7   14  -22 o  168.104   1.5720  8116.08  146.807  8353.55  245.244  7983.46  183.271  169.989   2.4980  166.219   1.9091 3.770615 3.143983 
1 1 1    7   15  -22 o   55.749   3.6893  862.503  115.453  1074.06  193.145  744.887  144.013   60.820   5.4986   50.678   4.9204 10.14275 7.378647 
1 1 1    7   16  -22 o  189.984   1.4140 10388.35  150.940 10251.07  191.760 10611.93  244.720  188.357   1.7628  191.611   2.2114 -3.254654 2.827988 
1 1 1    7   17  -22 o   92.079   2.5362  2454.53  134.864  2435.55  191.251  2473.31  190.207   91.723   3.6103   92.434   3.5629 -0.7113876 5.072319 
1 1 1    7   18  -22 o   35.168   6.6799  402.747  132.385  455.422  153.127  246.868  263.419   38.936   7.0698   31.400   11.336 7.535940 13.35981 
1 1 1    7   19  -22 o   49.060   4.2922  698.381  121.387  727.247  178.409  673.501  165.637   49.995   6.1787   48.125   5.9594 1.870285 8.584339 
1 1 1    7   20  -22 o  113.823   3.1315  3775.11  193.950  3813.88  238.054  3698.56  334.488  114.773   3.5913  112.872   5.1311 1.900970 6.262999 
1 1 1    7   21  -22 o  182.889   2.2879  9769.64  216.380  9884.11  255.336  9478.01  407.568  184.898   2.3911  180.881   3.9014 4.017242 4.575839 
1 1 1    7   22  -22 o  111.477   2.2788  3591.17  146.594  3403.34  203.081  3795.52  211.826  108.437   3.2427  114.518   3.2027 -6.080757 4.557689 
1 1 1    7   23  -22 o   89.888   3.5463  2367.50  159.121  2305.31  316.682  2388.50  184.040   88.959   6.1638   90.817   3.5088 -1.858406 7.092543 
1 1 1    7   24  -22 o   48.051   3.9783  667.218  109.937  758.625  162.781  590.562  149.070   51.063   5.5197   45.040   5.7307 6.022934 7.956642 
1 1 1    7   25  -22 o  176.975   1.8178  9026.64  184.235  9313.82  281.232  8810.74  243.844  179.414   2.7141  174.537   2.4190 4.877167 3.635644 
1 1 1    7   26  -22 o  144.866   1.5846  6067.50  132.310  6095.79  193.548  6042.68  181.282  145.176   2.3084  144.555   2.1714 0.6207275 3.169147 
1 1 1    7   27  -22 o  121.637   2.2732  4285.38  159.631  4458.11  228.078  4119.52  223.496  124.043   3.1837  119.232   3.2456 4.811340 4.546373 
1 1 1    7   28  -22 o  181.875   1.9147  9632.91  195.077  9348.97  314.602  9810.28  248.651  179.622   3.0326  184.128   2.3382 -4.506042 3.829359 
1 1 1    7   29  -22 o  115.864   2.5253  3954.02  154.967  4043.35  186.468  3754.55  278.631  118.141   2.7329  113.587   4.2473 4.553543 5.050590 
1 1 1    7   30  -22 o  113.426   2.9845  3720.41  164.348  3696.89  187.002  3800.23  344.486  112.914   2.8676  113.937   5.2350 -1.023300 5.968974 
1 1 1    7   31  -22 o  112.896   2.1577  3606.73  134.757  3392.03  165.870  4023.58  231.120  108.155   2.6554  117.637   3.4018 -9.482002 4.315493 
1 1 1    7   32  -22 o  119.518   2.6663  4145.65  184.044  4145.65  184.044   0.0000   0.0000  119.518   2.6663  ?   ?       ?      ? 
1 1 1    7   33  -22 o  103.496   2.5192  3122.41  150.463  3222.91  218.191  3031.29  207.765  105.072   3.5955  101.921   3.5296 3.151360 5.038441 
1 1 1    7   34  -22 o   42.610   7.2200  569.297  169.708  729.628  287.757  483.790  210.144   46.738   10.866   38.483   9.5100 8.255039 14.44010 
1 1 1    7   35  -22 o   47.007   6.5536  681.328  165.880  902.214  283.415  566.233  204.582   52.312   9.7390   41.702   8.7722 10.61050 13.10729 
1 1 1    7   36  -22 o   35.408   5.7172  438.150  123.671  620.745  163.126  191.349  189.649   45.072   6.2665   25.744   9.5643 19.32825 11.43438 
1 1 1    7   37  -22 o   70.421   3.9731  1484.81  158.282  1392.32  201.890  1632.35  254.983   67.913   5.1473   72.930   6.0537 -5.016869 7.946190 
1 1 1    7   38  -22 o   68.586   3.8398  1438.85  148.366  1416.68  235.696  1453.40  190.944   67.722   6.0261   69.450   4.7605 -1.727951 7.679624 
1 1 1    7   39  -22 o   20.201   6.6943 -233.2084  162.155  158.605  329.797 -358.1294  186.219   27.018   11.643   13.383   6.6109 13.63448 13.38851 
1 1 1    7   40  -22 o   87.419   4.3631  2475.65  186.119  2561.34  215.760  2226.48  367.931   92.473   4.0399   82.364   7.7347 10.10849 8.726169 
1 1 1    7   41  -22 o   24.973   6.8610  191.322  155.605 -60.5231  283.762  299.616  186.076   21.266   9.8301   28.680   9.5740 -7.413826 13.72193 
1 1 1    7   42  -22 f   20.279   6.8799 -206.6049  231.893 -136.1389  301.269 -309.0489  363.252   20.342   9.6326   20.216   9.8257 0.1259766 13.75975 
1 1 1    7    0  -23 o   75.684   3.8745  1668.77  168.347  1668.77  168.347   0.0000   0.0000   75.684   3.8745   75.684   3.8745 -0.000000 0.000000 
1 1 1    7    1  -23 o   99.208   2.0798  2861.45  117.304  2750.75  180.788  2941.94  154.162   97.530   3.2096  100.886   2.6458 -3.355385 4.159531 
1 1 1    7    2  -23 o  132.785   1.7440  5102.74  132.853  5034.59  199.020  5157.52  178.427  131.977   2.6110  133.592   2.3126 -1.615219 3.487903 
1 1 1    7    3  -23 o  165.224   1.6357  7891.74  155.969  7963.22  217.018  7815.37  224.309  166.001   2.2636  164.447   2.3618 1.553619 3.271359 
1 1 1    7    4  -23 o  170.911   1.4509  8433.09  141.854  8388.54  187.846  8492.22  216.392  170.393   1.9088  171.429   2.1856 -1.035858 2.901803 
1 1 1    7    5  -23 o  193.447   1.8970 10662.10  177.431 10536.11  201.178 11103.27  376.449  190.966   1.8241  195.928   3.3268 -4.961655 3.794033 
1 1 1    7    6  -23 o  165.093   1.5194  7864.88  142.732  7811.24  186.199  7941.30  222.262  164.421   1.9608  165.765   2.3216 -1.343994 3.038845 
1 1 1    7    7  -23 o   30.459   9.0792  274.658  171.730  274.658  171.730   0.0000   0.0000   30.459   9.0792  ?   ?       ?      ? 
1 1 1    7    8  -23 o  119.352   2.1334  4120.39  146.973  4148.97  204.853  4090.08  210.986  119.781   2.9612  118.922   3.0719 0.8593674 4.266757 
1 1 1    7    9  -23 o  127.243   2.2341  4672.16  158.902  4639.86  200.539  4726.66  260.479  126.680   2.7410  127.807   3.5288 -1.127556 4.468300 
1 1 1    7   10  -23 f  236.805   1.4563 16184.98  195.518 16100.61  253.082 16309.88  307.925  236.057   1.8564  237.554   2.2444 -1.497116 2.912610 
1 1 1    7   11  -23 o   30.334   6.2965  298.583  132.334  420.157  153.739 -49.1165  259.995   37.327   7.3929   23.340   10.195 13.98691 12.59303 
1 1 1    7   12  -23 o  290.212   1.5043 24261.00  247.539 23929.39  319.841 24756.32  390.899  287.768   1.9244  292.655   2.3127 -4.886597 3.008683 
1 1 1    7   13  -23 o  113.681   2.7287  3819.27  167.896  3514.62  287.665  3976.67  206.767  110.113   4.5234  117.248   3.0534 -7.135269 5.457500 
1 1 1    7   14  -23 o   58.333   3.2386  975.631  108.297  1074.77  165.936  902.068  142.936   60.879   4.7194   55.787   4.4363 5.091740 6.477196 
1 1 1    7   15  -23 o   71.554   3.5154  1483.12  120.314  1489.91  256.674  1481.20  136.204   71.563   6.2102   71.544   3.2963 0.1909637E-01 7.030838 
1 1 1    7   16  -23 o  130.083   1.8421  4871.99  137.512  4717.20  183.137  5072.06  208.208  127.733   2.4825  132.434   2.7222 -4.701172 3.684144 
1 1 1    7   17  -23 o  132.872   2.2416  5103.33  172.018   0.0000   0.0000  5103.33  172.018  ?   ?   132.872   2.2416      ?      ? 
1 1 1    7   18  -23 f  171.306   1.7775  8481.10  175.585  8554.01  256.057  8416.39  241.235  171.995   2.5777  170.617   2.4481 1.377930 3.554987 
1 1 1    7   19  -23 o  157.352   1.8052  7158.80  164.034  7215.66  233.867  7103.73  230.137  157.966   2.5634  156.738   2.5423 1.228195 3.610317 
1 1 1    7   20  -23 o  180.124   1.7905  9377.54  186.105  9276.86  257.294  9488.02  269.517  179.115   2.4872  181.134   2.5763 -2.018265 3.581017 
1 1 1    7   21  -23 f   72.900   4.2469  1497.26  143.279  1464.93  159.527  1632.16  325.856   71.103   3.8848   74.697   7.5533 -3.594521 8.493736 
1 1 1    7   22  -23 o   96.153   2.4853  2633.79  132.468  2832.12  224.521  2527.89  164.068   98.848   3.9328   93.458   3.0396 5.389809 4.970554 
1 1 1    7   23  -23 o  149.756   2.4229  6481.47  197.075  6453.41  240.546  6538.77  343.698  149.341   2.7889  150.171   3.9628 -0.8299866 4.845837 
1 1 1    7   24  -23 o  136.510   2.1612  5399.32  169.143  5363.68  254.655  5427.46  226.263  136.085   3.2401  136.936   2.8610 -0.8514099 4.322417 
1 1 1    7   25  -23 o   27.301   6.8916  192.442  137.121  191.858  188.554  193.097  199.768   27.108   9.6122   27.495   9.8784 -0.3869953 13.78318 
1 1 1    7   26  -23 o  116.803   2.6082  3949.03  175.949   0.0000   0.0000  3949.03  175.949  ?   ?   116.803   2.6082      ?      ? 
1 1 1    7   27  -23 o   77.244   2.8030  1734.28  124.937  1716.49  180.008  1750.82  173.545   76.850   4.0556   77.637   3.8704 -0.7868958 5.606089 
1 1 1    7   28  -23 o  115.085   2.2589  3814.12  134.177  3779.95  157.349  3905.21  256.876  114.264   2.3843  115.907   3.8373 -1.642693 4.517765 
1 1 1    7   29  -23 o  122.982   2.2261  4378.96  158.118  4378.96  158.118   0.0000   0.0000  122.982   2.2261  ?   ?       ?      ? 
1 1 1    7   30  -23 o   82.040   3.8409  1982.61  157.389  1986.37  181.907  1971.42  313.905   82.567   3.8146   81.513   6.6678 1.054192 7.681896 
1 1 1    7   31  -23 o   83.652   2.3643  2031.83  112.494  2068.34  175.682  2006.45  146.457   84.230   3.6114   83.073   3.0526 1.157417 4.728650 
1 1 1    7   32  -23 o   63.300   4.7931  1180.31  175.227  1180.31  175.227   0.0000   0.0000   63.300   4.7931  ?   ?       ?      ? 
1 1 1    7   33  -23 o  151.053   2.3274  6658.08  190.073  6680.46  333.668  6647.33  231.264  150.941   3.8276  151.165   2.6489 -0.2237091 4.654792 
1 1 1    7   34  -23 o  100.790   2.6670  2984.17  155.191  3073.90  223.239  2900.25  215.891  102.252   3.7802   99.329   3.7633 2.922287 5.334098 
1 1 1    7   35  -23 o   29.993   6.4838  307.541  117.005  333.781  133.995  223.304  240.082   32.150   7.3735   27.837   10.667 4.312420 12.96766 
1 1 1    7   36  -23 o   75.922   4.0024  1800.61  147.589  1665.90  298.203  1844.32  169.850   72.865   7.0861   78.979   3.7237 -6.113586 8.004857 
1 1 1    7   37  -23 o   41.141   7.0327  616.620  165.678  694.858  215.339  503.122  259.363   45.512   8.5051   36.770   11.203 8.741970 14.06535 
1 1 1    7   38  -23 o   47.564   5.1087  751.439  130.684  623.953  203.289  841.229  170.607   42.865   8.5117   52.262   5.6523 -9.396725 10.21749 
1 1 1    7   39  -23 o   45.709   7.4350  796.750  181.288  696.727  343.373  835.405  213.463   40.603   12.969   50.814   7.2737 -10.21071 14.86990 
1 1 1    7   40  -23 o   48.573   6.7768  835.305  168.904  875.394  314.543  819.062  200.220   46.829   11.672   50.316   6.8899 -3.487675 13.55350 
1 1 1    7   41  -23 o   44.903   6.3758  715.235  156.604  654.403  200.093  811.412  251.592   43.090   8.3417   46.715   9.6447 -3.624939 12.75165 
1 1 1    7    0  -24 o   51.580   5.8351  867.636  140.790  934.180  171.613  730.650  246.225   56.041   5.4186   47.119   10.336 -0.000000 0.000000 
1 1 1    7    1  -24 o   80.424   3.1377  1874.41  145.024  1879.76  195.788  1867.91  215.871   80.564   4.2078   80.284   4.6557 0.2803040 6.275418 
1 1 1    7    2  -24 o   37.962   4.9314  421.511  105.287  507.534  157.935  352.701  141.253   41.776   6.5459   34.149   7.3775 7.626526 9.862878 
1 1 1    7    3  -24 o   69.369   3.0644  1470.15  111.329  1203.22  195.430  1598.39  135.456   64.402   5.2542   74.337   3.1551 -9.934822 6.128712 
1 1 1    7    4  -24 o  247.707   1.4451 17735.19  203.722 17707.29  316.175 17754.99  266.392  247.525   2.2117  247.888   1.8607 -0.3629761 2.890294 
1 1 1    7    5  -24 o  352.607   1.6837 35978.58  336.729 36153.93  437.358 35723.33  527.670  353.696   2.1410  351.518   2.5991 2.177795 3.367420 
1 1 1    7    6  -24 o   76.778   3.5498  1700.90  153.879  1668.79  196.938  1751.23  246.568   75.886   4.4935   77.671   5.4966 -1.784576 7.099588 
1 1 1    7    7  -24 o  319.617   2.1466 29563.89  372.405 29499.94  648.605 29595.34  454.851  319.270   3.5175  319.964   2.4614 -0.6943054 4.293190 
1 1 1    7    8  -24 o  113.738   2.0568  3711.11  133.685  3942.36  206.996  3545.64  175.101  116.743   3.0700  110.733   2.7380 6.010506 4.113585 
1 1 1    7    9  -24 o  145.673   2.4052  6202.90  179.733  6005.66  342.751  6277.71  211.083  143.988   4.1216  147.359   2.4802 -3.371643 4.810328 
1 1 1    7   10  -24 o  162.088   1.7655  7589.53  165.000  7494.30  226.289  7697.64  241.107  161.008   2.4335  163.168   2.5585 -2.160172 3.530994 
1 1 1    7   11  -24 o  300.049   2.1420 26096.18  348.525 26197.79  425.607 25889.33  607.235  301.028   2.4480  299.069   3.5156 1.958588 4.283960 
1 1 1    7   12  -24 o  200.572   2.0106 11621.80  220.490 11676.86  379.117 11593.66  271.044  200.881   3.2678  200.264   2.3434 0.6168518 4.021179 
1 1 1    7   13  -24 o  105.506   2.5559  3223.75  154.967  3211.49  230.730  3233.82  209.165  105.309   3.7936  105.702   3.4263 -0.3927917 5.111828 
1 1 1    7   14  -24 o  150.384   1.8250  6542.90  158.233  6473.27  229.938  6605.53  218.083  149.617   2.6610  151.150   2.4982 -1.533218 3.649921 
1 1 1    7   15  -24 o   87.891   3.5437  2177.13  153.164  2366.56  320.170  2120.92  174.416   90.188   6.1467   85.594   3.5282 4.593750 7.087369 
1 1 1    7   16  -24 o   80.939   2.5221  1898.44  117.771  1848.76  169.130  1945.20  164.092   79.904   3.6649   81.974   3.4660 -2.069382 5.044288 
1 1 1    7   17  -24 o  259.269   1.9020 19226.02  245.621 19020.49  282.321 19865.98  498.179  256.548   1.9054  261.990   3.2924 -5.442444 3.804030 
1 1 1    7   18  -24 o   77.545   3.8084  1792.73  150.206  1846.85  176.460  1650.36  286.206   79.845   3.8266   75.245   6.5859 4.600410 7.616888 
1 1 1    7   19  -24 o  148.009   2.5902  6374.66  206.213  6426.89  250.255  6264.19  363.966  149.041   2.9073  146.977   4.2877 2.064102 5.180450 
1 1 1    7   20  -24 o   69.038   3.0803  1376.79  122.536  1261.11  167.573  1509.73  179.639   65.931   4.4008   72.145   4.3113 -6.213600 6.160694 
1 1 1    7   21  -24 o   71.646   3.1875  1507.36  120.479  1446.92  218.750  1533.68  144.345   70.525   5.3706   72.767   3.4347 -2.241669 6.374929 
1 1 1    7   22  -24 o  141.679   2.7074  5685.72  187.552  5571.75  213.301  6074.11  393.772  138.769   2.6614  144.588   4.7155 -5.818710 5.414714 
1 1 1    7   23  -24 o  110.300   1.9226  3516.33  122.120  3461.22  165.913  3581.48  180.402  109.367   2.6267  111.234   2.8081 -1.867172 3.845150 
1 1 1    7   24  -24 o   81.432   2.7302  1880.15  115.265  2025.06  221.709  1826.47  134.934   83.449   4.6002   79.415   2.9419 4.033264 5.460492 
1 1 1    7   25  -24 o   84.575   2.7491  2092.99  130.532  2007.10  208.569  2148.30  167.360   83.079   4.3468   86.071   3.3667 -2.992462 5.498168 
1 1 1    7   26  -24 o   53.577   6.0158  876.142  171.714  833.152  288.654  899.688  213.624   51.852   10.001   55.301   6.6885 -3.448723 12.03169 
1 1 1    7   27  -24 o   64.031   6.1492  1226.78  227.372  1254.46  323.571  1199.78  319.570   64.755   8.6519   63.306   8.7405 1.449600 12.29843 
1 1 1    7   28  -24 f  130.334   2.0900  4921.26  152.405  4896.94  192.735  4961.83  248.969  129.983   2.5674  130.685   3.2986 -0.7023468 4.179992 
1 1 1    7   29  -24 o  126.815   2.6573  4665.51  194.625  4665.51  194.625   0.0000   0.0000  126.815   2.6573  ?   ?       ?      ? 
1 1 1    7   30  -24 o  134.077   2.0101  5237.21  154.737  5361.82  209.276  5086.92  229.828  135.891   2.6665  132.263   3.0087 3.627853 4.020271 
1 1 1    7   31  -24 o  140.814   1.8599  5762.37  151.230  5900.60  214.404  5625.50  213.345  142.503   2.6051  139.124   2.6552 3.378189 3.719745 
1 1 1    7   32  -24 o   47.853   5.4338  708.033  144.256  893.907  212.879  550.204  196.163   54.284   6.7901   41.421   8.4852 12.86250 10.86757 
1 1 1    7   33  -24 o   45.468   7.3822  699.034  177.795  675.462  336.224  708.184  209.480   43.187   12.661   47.750   7.5960 -4.563217 14.76447 
1 1 1    7   34  -24 o   59.965   5.7708  1233.75  169.624  940.828  299.698  1371.81  205.750   52.433   10.264   67.497   5.2780 -15.06368 11.54162 
1 1 1    7   35  -24 o   84.561   3.2900  2146.49  159.455  2173.07  213.748  2113.13  239.440   85.355   4.3360   83.767   4.9492 1.588509 6.579943 
1 1 1    7   36  -24 o   56.539   3.6079  914.618  108.502  835.270  128.096  1116.11  204.126   52.888   4.1937   60.190   5.8720 -7.302189 7.215814 
1 1 1    7   37  -24 o   22.049   6.9349   20.530  173.755 -48.9336  294.127   57.767  215.349   22.306   10.200   21.792   9.3992 0.5146770 13.86990 
1 1 1    7   38  -24 o   51.887   5.9595  925.730  160.053  852.477  276.552  962.622  196.261   48.368   10.220   55.407   6.1332 -7.038429 11.91909 
1 1 1    7   39  -24 o   89.122   2.8361  2449.41  135.521  2203.34  233.381  2574.60  166.462   84.945   4.7571   93.300   3.0892 -8.354820 5.672152 
1 1 1    7   40  -24 o   55.047   5.9995  1072.72  152.268  1009.60  308.648  1093.03  175.054   50.756   10.858   59.338   5.1080 -8.582661 11.99907 
1 1 1    7    0  -25 o   14.578   7.0646 -207.2027  188.940 -50.5683  279.398 -339.1885  256.474   16.978   11.179   12.178   8.6411 -0.000000 0.000000 
1 1 1    7    1  -25 o  124.281   2.1149  4472.13  150.656  4504.74  201.461  4430.76  226.924  124.809   2.7949  123.754   3.1750 1.055031 4.229854 
1 1 1    7    2  -25 f  196.645   2.0780 11215.98  217.191 11265.59  260.727 11103.50  392.576  197.419   2.2867  195.870   3.4703 1.548737 4.155981 
1 1 1    7    3  -25 f  156.312   1.6869  7095.42  146.978  7189.10  185.687  6938.27  240.504  157.722   2.0385  154.902   2.6883 2.820084 3.373785 
1 1 1    7    4  -25 o  251.423   1.5868 18262.32  229.797 18393.30  338.221 18150.01  313.184  252.251   2.3216  250.594   2.1639 1.657303 3.173688 
1 1 1    7    5  -25 o  146.106   1.6606  6156.70  136.664  6107.53  174.586  6234.50  219.615  145.371   2.0794  146.842   2.5896 -1.470367 3.321140 
1 1 1    7    6  -25 o  331.871   2.2209 32016.17  404.636 31372.30  685.435 32360.59  501.310  329.199   3.6051  334.543   2.5946 -5.343964 4.441720 
1 1 1    7    7  -25 o   26.251   7.2644 -54.6403  160.574 -209.4271  187.956  363.548  308.941   16.275   7.6765   36.228   12.335 -19.95381 14.52873 
1 1 1    7    8  -25 o  101.368   3.2663  2865.56  169.057  3224.82  336.561  2744.33  195.511  105.365   5.5307   97.372   3.4766 7.992737 6.532670 
1 1 1    7    9  -25 o  196.644   2.1083 11190.01  226.908 11198.81  279.458 11172.97  388.727  196.812   2.4586  196.476   3.4257 0.3361053 4.216623 
1 1 1    7   10  -25 o  167.149   2.1189  8125.31  197.113  8247.59  248.618  7918.37  323.435  168.892   2.5488  165.406   3.3857 3.485657 4.237857 
1 1 1    7   11  -25 o  263.011   2.4179 20019.12  366.856 20078.96  532.089 19964.91  506.484  263.371   3.4981  262.650   3.3389 0.7208252 4.835783 
1 1 1    7   12  -25 o   83.308   4.2400  2011.34  204.003  2011.34  204.003   0.0000   0.0000   83.308   4.2400  ?   ?       ?      ? 
1 1 1    7   13  -25 o   67.427   4.5048  1318.29  175.425   0.0000   0.0000  1318.29  175.425  ?   ?    67.427   4.5048      ?      ? 
1 1 1    7   14  -25 o  149.352   1.5799  6452.24  136.070  6364.54  197.183  6531.98  188.008  148.377   2.3010  150.326   2.1655 -1.948532 3.159745 
1 1 1    7   15  -25 o  145.571   2.0227  6106.14  156.266  6190.62  284.904  6069.79  186.886  146.239   3.3733  144.903   2.2331 1.335709 4.045458 
1 1 1    7   16  -25 o   79.661   4.2478  1917.01  141.424  1950.38  154.613  1746.07  349.932   82.086   3.2613   77.236   7.8447 4.850494 8.495646 
1 1 1    7   17  -25 o  205.349   1.9896 12228.89  224.526 12296.43  278.096 12102.45  380.524  206.224   2.3349  204.475   3.2222 1.749252 3.979274 
1 1 1    7   18  -25 o  129.904   2.6657  4811.35  167.107  4748.42  189.293  5033.58  355.730  128.130   2.5580  131.677   4.6776 -3.546539 5.331369 
1 1 1    7   19  -25 o  196.658   2.1635 11155.16  235.985 11053.39  294.499 11337.74  394.457  195.474   2.6086  197.842   3.4522 -2.368210 4.326950 
1 1 1    7   20  -25 o  116.699   2.9756  3924.86  173.103  3898.57  199.283  4005.68  349.378  116.050   2.9733  117.347   5.1551 -1.297028 5.951118 
1 1 1    7   21  -25 o  160.090   2.1515  7430.50  176.417  7441.28  206.443  7401.32  339.678  160.407   2.2284  159.772   3.6811 0.6355743 4.303084 
1 1 1    7   22  -25 f  209.456   1.9847 12807.60  209.736 12921.97  243.859 12482.53  411.104  211.400   1.9973  207.511   3.4302 3.888367 3.969363 
1 1 1    7   23  -25 o  112.511   1.9227  3661.78  124.867  3770.38  180.266  3561.60  173.127  114.112   2.7352  110.911   2.7027 3.200928 3.845312 
1 1 1    7   24  -25 o  137.033   2.5377  5472.88  192.022  5373.66  321.304  5528.01  239.499  135.956   4.0920  138.109   3.0026 -2.152115 5.075397 
1 1 1    7   25  -25 f  148.560   1.9326  6384.02  165.813   0.0000   0.0000  6384.02  165.813  ?   ?   148.560   1.9326      ?      ? 
1 1 1    7   26  -25 o   95.520   3.1223  2591.23  134.261  2775.95  315.171  2550.28  148.399   97.248   5.6115   93.792   2.7396 3.456390 6.244524 
1 1 1    7   27  -25 o  158.774   2.0553  7305.79  186.527  7240.48  246.201  7393.79  285.778  157.998   2.6981  159.550   3.1013 -1.551682 4.110683 
1 1 1    7   28  -25 o  101.663   2.4319  3005.90  142.410  2962.78  193.834  3056.48  209.922  100.899   3.3263  102.427   3.5486 -1.528481 4.863808 
1 1 1    7   29  -25 o  105.481   3.1880  3310.58  174.518  3370.02  206.948  3164.23  324.711  107.537   3.3321  103.425   5.4361 4.112213 6.376043 
1 1 1    7   30  -25 o  132.681   3.0587  5150.86  229.424  5301.07  365.959  5053.60  294.477  134.036   4.7274  131.327   3.8825 2.709122 6.117408 
1 1 1    7   31  -25 o   39.695   5.8885  506.270  129.329  506.405  199.510  506.172  169.848   39.405   8.9681   39.984   7.6335 -0.5786171 11.77697 
1 1 1    7   32  -25 o   76.170   3.1185  1697.56  134.757  1606.28  173.055  1838.17  214.787   73.752   4.0628   78.587   4.7323 -4.834618 6.237053 
1 1 1    7   33  -25 o   34.636   6.1331  354.998  117.164  569.226  211.650  260.342  140.687   41.122   9.1477   28.150   8.1718 12.97281 12.26617 
1 1 1    7   34  -25 o   20.383   6.2312   14.932  138.865  101.195  185.939 -93.8656  208.817   22.263   9.1051   18.502   8.5092 3.761192 12.46232 
1 1 1    7   35  -25 o   46.279   4.4115  666.104  111.175  667.391  136.821  663.605  190.734   46.912   5.0499   45.646   7.2350 1.266380 8.823085 
1 1 1    7   36  -25 o   50.657   7.4580  973.703  184.313  1021.01  211.684  825.424  374.760   57.021   6.4278   44.292   13.460 12.72958 14.91590 
1 1 1    7   37  -25 o   18.763   5.8563 -118.0166  135.578  164.763  206.818 -331.1147  179.537   24.272   9.7193   13.253   6.5361 11.01963 11.71257 
1 1 1    7   38  -25 o   76.291   5.0141  1810.50  194.438  1715.09  225.118  2090.71  385.808   74.499   5.2321   78.083   8.5552 -3.583900 10.02827 
1 1 1    7   39  -25 o   77.404   4.9267  1925.56  198.578  2084.25  373.188  1862.88  234.539   77.519   8.3356   77.290   5.2542 0.2290039 9.853324 
1 1 1    7    0  -26 o  411.965   2.9467 49069.10  699.929 49783.77  1020.87 48435.16  961.494  414.775   4.2626  409.155   4.0698 -0.000000 0.000000 
1 1 1    7    1  -26 o  155.400   2.3846  6905.72  186.855  6819.94  216.036  7160.47  372.300  153.589   2.4355  157.210   4.1004 -3.620758 4.769154 
1 1 1    7    2  -26 o  269.654   1.6866 21020.29  262.545 20999.78  365.572 21042.13  377.296  269.523   2.3485  269.785   2.4215 -0.2625122 3.373277 
1 1 1    7    3  -26 o   87.934   2.3603  2235.35  108.340  2232.13  128.191  2243.38  202.681   87.864   2.5262   88.003   3.9878 -0.1390686 4.720570 
1 1 1    7    4  -26 o   72.580   3.4542  1552.50  142.135  1371.16  214.747  1693.87  189.611   68.710   5.4115   76.450   4.2944 -7.739807 6.908430 
1 1 1    7    5  -26 o  142.136   1.5666  5853.73  126.614  5922.45  165.695  5757.29  196.283  143.153   2.0041  141.118   2.4083 2.034927 3.133132 
1 1 1    7    6  -26 o   59.135   5.3860  1155.84  143.911  824.114  285.579  1268.75  166.612   52.109   9.8500   66.160   4.3604 -14.05074 10.77199 
1 1 1    7    7  -26 o  209.023   1.9837 12674.40  205.415 12710.60  236.287 12562.37  415.649  209.721   1.9508  208.326   3.4546 1.394577 3.967355 
1 1 1    7    8  -26 o  121.011   2.8090  4333.81  172.399  4439.52  201.850  4048.74  331.463  123.892   2.8210  118.129   4.8584 5.763023 5.617997 
1 1 1    7    9  -26 o  110.661   2.5744  3509.44  157.568  3670.83  266.834  3423.02  195.245  112.555   4.1048  108.768   3.1081 3.786354 5.148745 
1 1 1    7   10  -26 o   64.794   3.8382  1302.93  132.048  976.776  219.187  1488.74  165.441   57.904   6.5542   71.684   3.9961 -13.77950 7.676363 
1 1 1    7   11  -26 o  131.672   2.7326  5014.40  207.802   0.0000   0.0000  5014.40  207.802  ?   ?   131.672   2.7326      ?      ? 
1 1 1    7   12  -26 o  107.441   3.0684  3235.88  155.906  3542.69  345.001  3157.14  174.769  110.415   5.4101  104.467   2.8967 5.948425 6.136764 
1 1 1    7   13  -26 o  162.908   1.8783  7676.88  176.684  7845.44  249.638  7507.69  250.102  164.703   2.6244  161.113   2.6878 3.590240 3.756559 
1 1 1    7   14  -26 o   89.746   3.1968  2329.92  165.258  2426.32  244.501  2248.84  224.231   91.440   4.6298   88.052   4.4093 3.387779 6.393525 
1 1 1    7   15  -26 o  167.462   1.7343  8100.51  164.131  8065.13  211.129  8154.56  260.936  167.025   2.1887  167.899   2.6909 -0.8744354 3.468628 
1 1 1    7   16  -26 o   57.859   4.3189  967.818  143.590  1114.65  213.232  845.990  194.230   61.854   5.9690   53.864   6.2436 7.989754 8.637769 
1 1 1    7   17  -26 o   55.007   4.3394  902.459  132.960  797.702  211.196  971.240  171.130   52.221   7.0026   57.794   5.1270 -5.572834 8.678798 
1 1 1    7   18  -26 o  120.038   2.5341  4101.73  146.724  4042.47  166.118  4312.00  312.911  118.218   2.4330  121.858   4.4461 -3.640396 5.068279 
1 1 1    7   19  -26 o  142.851   2.4540  5834.18  155.583  5789.75  171.531  6040.33  369.487  141.502   2.0989  144.199   4.4366 -2.697281 4.908040 
1 1 1    7   20  -26 o   67.195   3.3579  1293.90  128.988  1450.06  200.578  1183.78  168.436   70.583   4.9204   63.808   4.5706 6.774612 6.715712 
1 1 1    7   21  -26 o  167.534   2.4038  8128.01  217.370  8108.63  263.914  8168.90  383.293  167.346   2.7306  167.721   3.9569 -0.3748016 4.807660 
1 1 1    7   22  -26 o  119.394   2.3637  4148.57  161.933  4000.28  240.684  4271.21  218.880  117.405   3.5496  121.383   3.1222 -3.978973 4.727336 
1 1 1    7   23  -26 o  188.957   2.1224 10327.75  224.105 10447.03  367.560 10257.17  282.738  189.730   3.3543  188.185   2.6014 1.545380 4.244884 
1 1 1    7   24  -26 o   85.886   3.4319  2232.57  141.668  2300.17  162.123  2014.23  291.357   89.026   3.1531   82.746   6.0967 6.279984 6.863789 
1 1 1    7   25  -26 o   88.076   3.0349  2253.82  152.686  2198.30  200.500  2330.48  235.579   86.851   3.9972   89.300   4.5677 -2.448555 6.069709 
1 1 1    7   26  -26 o   99.168   3.7947  2876.09  213.119  2985.34  338.758  2804.53  274.176  100.548   5.8335   97.787   4.8547 2.760162 7.589335 
1 1 1    7   27  -26 o  103.243   3.2281  3092.70  159.540  3190.05  341.400  3065.50  180.456  103.819   5.6938  102.667   3.0434 1.151535 6.456103 
1 1 1    7   28  -26 o  177.900   1.6549  9221.98  166.674  8986.80  261.280  9383.35  216.429  175.889   2.5721  179.911   2.0829 -4.021713 3.309699 
1 1 1    7   29  -26 o   57.137   3.5225  966.455  116.135  1025.68  166.904  910.869  161.700   58.853   4.9104   55.421   5.0518 3.431709 7.045034 
1 1 1    7   30  -26 o   82.691   3.8044  1983.77  157.276  2173.06  319.858  1923.42  180.619   84.518   6.5527   80.864   3.8675 3.654716 7.608897 
1 1 1    7   31  -26 f   25.108   7.3205  129.588  158.937   85.603  310.001  145.272  185.118   26.202   11.289   24.014   9.3227 2.187700 14.64109 
1 1 1    7   32  -26 o   47.978   7.6170  728.557  211.064   0.0000   0.0000  728.557  211.064  ?   ?    47.978   7.6170      ?      ? 
1 1 1    7   33  -26 o  128.964   2.5719  4954.06  187.536  5102.87  243.998  4739.27  293.145  131.688   3.2082  126.240   4.0207 5.447762 5.143760 
1 1 1    7   34  -26 o  130.649   2.4614  4980.73  168.810  4886.45  199.912  5215.02  315.137  129.155   2.6800  132.143   4.1292 -2.988068 4.922720 
1 1 1    7   35  -26 o   53.873   7.0332  927.370  218.832   0.0000   0.0000  927.370  218.832  ?   ?    53.873   7.0332      ?      ? 
1 1 1    7   36  -26 o   62.345   6.0400  1266.09  140.097  1249.09  150.653  1374.80  380.982   64.542   4.0416   60.149   11.384 4.392441 12.08008 
1 1 1    7   37  -26 o   50.437   4.9318  793.891  140.655  1022.80  228.247  653.737  178.597   55.990   7.0585   44.884   6.8896 11.10510 9.863506 
1 1 1    7   38  -26 o   90.361   3.2816  2507.91  171.087  2525.02  237.330  2489.41  246.858   90.815   4.5249   89.907   4.7541 0.9074631 6.563263 
1 1 1    7    0  -27 o  187.779   2.4202 10207.04  261.671 10170.49  382.951 10239.06  358.388  187.449   3.5402  188.110   3.3011 -0.000000 0.000000 
1 1 1    7    1  -27 o   12.841   4.5132 -439.8286  128.291 -656.0834  217.131 -323.8445  159.015   12.940   6.5048   12.743   6.2581 0.1970015 9.026385 
1 1 1    7    2  -27 o  175.577   1.3453  8900.62  135.393  8843.95  180.438  8973.63  204.822  174.946   1.7858  176.208   2.0126 -1.262390 2.690695 
1 1 1    7    3  -27 o   29.476   7.3788  226.064  144.086  175.497  292.190  242.312  165.624   30.140   11.709   28.813   8.9823 1.327301 14.75767 
1 1 1    7    4  -27 o  101.034   3.7529  2964.94  218.339  2965.00  297.566  2964.86  321.359  101.058   5.0983  101.010   5.5086 0.4753113E-01 7.505816 
1 1 1    7    5  -27 o   51.804   4.2423  840.107  111.484  922.827  133.567  650.116  202.423   56.432   4.0982   47.177   7.4292 9.254486 8.484595 
1 1 1    7    6  -27 o  152.924   1.8352  6773.75  159.440  6700.61  248.290  6825.07  207.990  152.200   2.8246  153.647   2.3439 -1.447220 3.670447 
1 1 1    7    7  -27 o   62.840   6.5612  1155.56  237.258  1226.55  354.299  1097.85  319.466   64.553   9.5031   61.127   9.0492 3.426723 13.12236 
1 1 1    7    8  -27 o  200.137   1.7942 11580.64  207.357 11460.77  290.277 11705.54  296.311  199.081   2.5246  201.193   2.5501 -2.111908 3.588395 
1 1 1    7    9  -27 o   16.865   5.9001 -509.6629  162.525 -594.4150  190.317 -281.3728  312.353   11.964   6.0241   21.765   10.147 -9.801554 11.80021 
1 1 1    7   10  -27 o   88.977   2.7349  2234.26  133.522  2112.83  162.920  2482.67  233.023   85.432   3.3020   92.522   4.3608 -7.090790 5.469867 
1 1 1    7   11  -27 f   78.465   4.4376  1764.44  190.439  1704.39  232.559  1886.68  331.800   76.579   5.2582   80.352   7.1498 -3.772736 8.875201 
1 1 1    7   12  -27 o   43.987   5.4976  606.534  130.207  454.409  203.342  712.260  169.519   38.519   9.2556   49.454   5.9351 -10.93479 10.99512 
1 1 1    7   13  -27 o  150.390   2.0201  6524.00  173.876  6694.29  265.773  6396.58  229.905  152.081   3.0259  148.698   2.6771 3.383179 4.040111 
1 1 1    7   14  -27 o   17.485   5.9647 -282.5358  151.906 -348.9902  301.271 -259.8810  175.904   20.282   9.6124   14.688   7.0647 5.594119 11.92933 
1 1 1    7   15  -27 f  212.753   1.7195 13077.51  210.912 13331.58  308.832 12855.44  288.730  214.679   2.4908  210.828   2.3713 3.851517 3.439066 
1 1 1    7   16  -27 o  130.022   2.3687  5006.54  148.400  5098.95  169.344  4700.71  308.056  132.786   2.2082  127.258   4.1914 5.527634 4.737485 
1 1 1    7   17  -27 o   69.102   4.6990  1305.81  164.574  1215.13  188.637  1594.81  336.741   64.610   5.0552   73.594   7.9226 -8.983849 9.398075 
1 1 1    7   18  -27 o  178.432   2.1660  9238.74  213.663  9277.58  266.432  9168.75  357.651  179.041   2.5766  177.823   3.4825 1.217758 4.332020 
1 1 1    7   19  -27 o  104.936   3.0457  3108.30  162.406  3399.14  323.563  3010.36  187.772  107.962   5.1892  101.911   3.1902 6.050545 6.091465 
1 1 1    7   20  -27 o  114.921   2.5991  3843.89  172.049  4111.52  241.270  3566.98  245.411  119.028   3.5097  110.813   3.8346 8.215034 5.198276 
1 1 1    7   21  -27 o   58.634   5.4607  969.450  157.079  1116.57  332.685  927.243  178.192   60.979   9.4464   56.289   5.4812 4.689915 10.92144 
1 1 1    7   22  -27 o  188.815   2.1872 10379.14  222.883 10245.93  391.266 10443.14  271.183  187.753   3.6083  189.878   2.4729 -2.124863 4.374346 
1 1 1    7   23  -27 o   67.045   5.2159  1416.23  177.094  1163.35  326.727  1521.43  210.734   62.027   9.1206   72.064   5.0633 -10.03705 10.43176 
1 1 1    7   24  -27 o   94.053   3.0596  2628.62  147.812  2488.63  279.122  2683.18  174.252   92.017   5.2522   96.088   3.1399 -4.070862 6.119210 
1 1 1    7   25  -27 o   75.405   4.2617  1783.26  167.720  1435.58  293.027  1952.66  204.538   69.144   7.3378   81.665   4.3366 -12.52058 8.523473 
1 1 1    7   26  -27 o  141.617   2.3236  5883.13  165.827  5924.48  192.676  5764.99  325.672  142.903   2.3345  140.331   4.0183 2.572067 4.647233 
1 1 1    7   27  -27 o  107.328   2.2578  3370.74  139.232  3240.10  205.233  3482.13  189.513  105.333   3.3736  109.324   3.0015 -3.990311 4.515567 
1 1 1    7   28  -27 o   67.134   3.5165  1341.34  131.385  1328.67  215.999  1348.78  165.528   66.626   5.6134   67.643   4.2371 -1.016846 7.032958 
1 1 1    7   29  -27 o   67.455   3.6027  1378.69  133.590  1293.93  222.145  1426.71  167.201   65.430   5.8786   69.480   4.1667 -4.049866 7.205478 
1 1 1    7   30  -27 o   14.489   5.0847 -447.7785  153.782 -422.9762  246.780 -463.5240  196.628   15.926   7.8162   13.052   6.5055 2.873415 10.16931 
1 1 1    7   31  -27 o   49.566   4.3794  711.238  120.630  935.067  208.321  598.327  147.960   54.882   6.5723   44.249   5.7897 10.63351 8.758748 
1 1 1    7   32  -27 o   99.804   3.9213  3152.69  179.495  2849.38  388.688  3234.91  202.365   94.881   7.0931  104.728   3.3457 -9.846809 7.842586 
1 1 1    7   33  -27 o  105.670   2.5528  3306.19  148.055  3296.17  182.966  3325.18  251.988  105.870   2.9924  105.471   4.1368 0.3989944 5.105603 
1 1 1    7   34  -27 o   42.903   6.2484  675.384  151.563  402.235  229.238  887.514  202.017   32.858   10.608   52.947   6.6064 -20.08891 12.49673 
1 1 1    7   35  -27 o   65.494   4.8582  1383.40  182.261  1572.69  258.451  1196.12  257.067   70.452   6.3518   60.536   7.3527 9.915993 9.716334 
1 1 1    7   36  -27 o   16.813   5.7488 -254.3720  168.142 -248.1522  222.607 -262.6345  256.572   16.199   7.8298   17.428   8.4196 -1.229200 11.49759 
1 1 1    7   37  -27 o   22.699   7.1170   65.954  195.311 -232.5647  354.539  196.021  234.024   20.614   9.9438   24.784   10.185 -4.169689 14.23391 
1 1 1    7    0  -28 o  157.123   2.6141  7132.61  232.600  7252.38  366.907  7052.14  300.759  158.179   4.0221  156.068   3.3402 -0.000000 0.000000 
1 1 1    7    1  -28 o  162.029   2.5647  7610.23  237.877  7554.31  360.507  7653.36  316.575  161.469   3.8658  162.590   3.3713 -1.120407 5.129335 
1 1 1    7    2  -28 o  205.342   1.5380 12163.39  179.632 12042.68  233.961 12336.72  280.364  204.122   1.9846  206.562   2.3501 -2.439926 3.075958 
1 1 1    7    3  -28 o  317.314   2.2672 29105.17  390.467 29257.79  681.356 29030.55  476.467  317.806   3.7122  316.822   2.6040 0.9847412 4.534386 
1 1 1    7    4  -28 f  166.867   1.8843  8057.87  180.746  8011.29  268.510  8096.45  244.412  166.412   2.7938  167.321   2.5292 -0.9091949 3.768567 
1 1 1    7    5  -28 o   89.976   2.4481  2343.97  121.487  2345.46  204.852  2343.16  150.884   89.961   3.9428   89.991   2.9031 -0.3028870E-01 4.896268 
1 1 1    7    6  -28 o  124.284   2.8558  4454.65  190.616  4415.46  230.047  4540.48  340.478  123.503   3.2252  125.065   4.7138 -1.562111 5.711520 
1 1 1    7    7  -28 o  130.885   2.5645  5059.15  147.677  5113.34  163.173  4813.81  347.197  132.996   2.1243  128.774   4.6683 4.221832 5.128948 
1 1 1    7    8  -28 o  107.179   2.5042  3322.35  155.010  3322.35  155.010   0.0000   0.0000  107.179   2.5042  ?   ?       ?      ? 
1 1 1    7    9  -28 o   87.596   3.9929  2289.40  181.473  2366.51  215.975  2104.20  334.697   90.331   4.1398   84.862   6.8289 5.468758 7.985782 
1 1 1    7   10  -28 o   90.627   3.4653  2355.49  160.278  2453.70  313.609  2320.76  186.471   91.760   5.9177   89.495   3.6077 2.264526 6.930678 
1 1 1    7   11  -28 o   95.216   2.7614  2664.33  144.826  2507.05  240.855  2753.40  181.254   92.922   4.4880   97.509   3.2185 -4.587440 5.522764 
1 1 1    7   12  -28 o  125.137   2.8876  4611.61  194.038  4736.06  236.353  4354.32  339.832  127.880   3.2002  122.395   4.8075 5.484444 5.775187 
1 1 1    7   13  -28 o  151.699   2.5251  6606.97  205.365  6841.37  369.399  6502.12  247.065  153.524   4.1661  149.873   2.8543 3.650589 5.050136 
1 1 1    7   14  -28 o  154.366   2.0573  6897.89  183.205  6930.03  265.726  6868.78  252.930  154.699   2.9741  154.032   2.8432 0.6667480 4.114508 
1 1 1    7   15  -28 o  153.294   2.6223  6772.78  218.127  6946.22  382.590  6689.25  265.505  154.622   4.2843  151.967   3.0251 2.654694 5.244643 
1 1 1    7   16  -28 o   81.619   3.2659  1939.46  150.877  1943.93  195.057  1932.80  238.054   81.798   4.1289   81.440   5.0612 0.3582993 6.531723 
1 1 1    7   17  -28 o  163.671   2.4692  7814.60  203.182  7685.20  401.176  7859.25  235.639  162.564   4.2729  164.778   2.4761 -2.213882 4.938493 
1 1 1    7   18  -28 o   18.838   6.0954 -183.3160  155.615 -22.5471  216.800 -354.1756  223.500   21.545   9.3615   16.132   7.8090 5.413841 12.19090 
1 1 1    7   19  -28 o  155.534   1.4968  7010.12  133.352  7080.64  178.056  6920.04  201.243  156.448   1.9706  154.621   2.2536 1.827103 2.993636 
1 1 1    7   20  -28 o   77.962   2.8407  1745.00  126.518  1934.30  197.202  1612.58  164.936   81.476   4.1908   74.447   3.8360 7.029709 5.681360 
1 1 1    7   21  -28 o  140.131   2.0139  5715.08  161.505  5840.81  215.745  5554.81  243.584  141.937   2.6318  138.325   3.0490 3.612427 4.027816 
1 1 1    7   22  -28 o  172.969   1.6838  8695.93  164.947  8800.14  214.001  8543.41  258.900  174.314   2.1257  171.625   2.6120 2.689240 3.367623 
1 1 1    7   23  -28 o   61.426   3.9045  1110.39  138.224  1016.48  190.034  1215.90  201.419   58.656   5.6097   64.197   5.4325 -5.541355 7.808998 
1 1 1    7   24  -28 o   60.927   4.0032  1087.41  135.911  1151.25  226.460  1051.47  169.913   62.114   6.3127   59.739   4.9247 2.374577 8.006444 
1 1 1    7   25  -28 o   90.280   3.6573  2328.44  157.767  2571.19  343.456  2263.52  177.614   92.541   6.4262   88.020   3.4939 4.521080 7.314571 
1 1 1    7   26  -28 o   31.138   6.6525  313.824  129.986  336.840  183.088  290.431  184.578   32.164   9.3179   30.113   9.4973 2.051205 13.30498 
1 1 1    7   27  -28 o   46.583   5.8543  642.405  143.500  563.259  170.755  832.688  264.763   42.872   6.8964   50.295   9.4621 -7.423000 11.70863 
1 1 1    7   28  -28 o   47.724   5.2250  708.195  143.775  663.045  196.966  759.690  210.352   46.097   7.3983   49.351   7.3801 -3.254375 10.44991 
1 1 1    7   29  -28 o   61.883   3.9174  1146.39  137.673  1079.85  177.173  1247.78  218.726   59.863   5.1245   63.902   5.9265 -4.038616 7.834819 
1 1 1    7   30  -28 o   32.719   7.6160  383.499  156.174  402.344  176.579  315.804  334.673   34.319   8.8512   31.119   12.396 3.199373 15.23192 
1 1 1    7   31  -28 o   27.876   7.6877  159.852  138.551   99.588  151.206  475.327  345.957   20.839   8.3225   34.912   12.928 -14.07319 15.37541 
1 1 1    7   32  -28 o   18.448   5.5828   31.988  105.888   38.205  148.383   25.538  151.152   18.575   7.9020   18.321   7.8885 0.2538433 11.16556 
1 1 1    7   33  -28 o   44.247   4.8469  625.905  123.729  626.986  171.378  624.727  178.819   44.392   6.6845   44.102   7.0205 0.2894936 9.693776 
1 1 1    7   34  -28 o   23.930   7.3306   99.733  172.738   60.678  206.402  191.036  315.588   21.182   9.1689   26.677   11.440 -5.495157 14.66122 
1 1 1    7   35  -28 o   42.048   5.0589  590.356  118.920  505.177  168.039  675.820  168.319   38.217   7.8751   45.879   6.3524 -7.661327 10.11780 
1 1 1    7   36  -28 o   14.330   6.8478 -151.5874  159.437   0.0000   0.0000 -151.5874  159.437  ?   ?    14.330   6.8478      ?      ? 
1 1 1    7    0  -29 o   68.518   5.6711  1422.95  215.457  1395.82  315.735  1446.60  294.750   67.719   8.4244   69.317   7.5946 -0.000000 0.000000 
1 1 1    7    1  -29 o   59.486   4.1758  1025.09  142.577  1083.64  216.141  979.980  189.706   60.959   6.1392   58.013   5.6620 2.946709 8.351548 
1 1 1    7    2  -29 o   13.647   4.7980 -454.9055  135.865 -485.2959  172.353 -405.0233  220.812   11.838   5.9292   15.456   7.5450 -3.617699 9.595986 
1 1 1    7    3  -29 o   75.897   3.1627  1674.93  138.397  1766.81  194.265  1580.25  197.215   78.028   4.3108   73.766   4.6291 4.262115 6.325464 
1 1 1    7    4  -29 o  181.188   2.2665  9643.24  198.426  9759.85  226.301  9255.45  412.690  183.730   2.1327  178.646   3.9999 5.084030 4.532904 
1 1 1    7    5  -29 o   77.115   3.8362  1599.78  140.614  1968.94  316.887  1509.27  156.907   82.076   6.6851   72.155   3.7652 9.920052 7.672467 
1 1 1    7    6  -29 o   21.372   6.5996 -25.8875  147.764   5.4342  180.451 -89.6314  257.429   20.486   8.7146   22.257   9.9135 -1.770905 13.19925 
1 1 1    7    7  -29 f   45.834   5.7863  684.574  139.820  841.401  179.537  442.859  222.893   53.724   5.7863   37.943   10.022 15.78025 11.57251 
1 1 1    7    8  -29 o   79.002   2.6130  1806.93  118.790  1780.12  160.728  1839.19  176.346   78.370   3.5511   79.635   3.8342 -1.265381 5.226013 
1 1 1    7    9  -29 o   70.957   4.3717  1454.31  150.431  1440.58  170.980  1501.39  316.483   70.442   4.2027   71.472   7.6670 -1.030350 8.743332 
1 1 1    7   10  -29 f  119.434   2.1425  4106.64  135.790  4192.96  248.001  4069.68  162.276  120.258   3.5707  118.609   2.3689 1.648415 4.285058 
1 1 1    7   11  -29 o  122.378   2.7594  4323.91  190.527  4450.32  305.870  4243.77  243.547  123.770   4.2789  120.985   3.4855 2.784561 5.518878 
1 1 1    7   12  -29 f  225.974   1.7616 14769.88  229.188 14873.25  338.349 14682.25  311.549  226.686   2.5844  225.262   2.3947 1.423538 3.523293 
1 1 1    7   13  -29 o  160.816   2.2265  7532.53  202.883  7295.44  316.728  7697.51  264.201  158.599   3.4578  163.032   2.8059 -4.433014 4.453050 
1 1 1    7   14  -29 o  281.851   2.2368 22922.46  332.978 23294.34  612.357 22766.34  396.763  283.247   3.7433  280.454   2.4495 2.793030 4.473526 
1 1 1    7   15  -29 o  213.842   2.2635 13342.20  254.810 13460.08  304.103 13064.41  466.844  215.628   2.4419  212.057   3.8118 3.571365 4.526927 
1 1 1    7   16  -29 o   85.840   3.2473  2161.58  158.018  2073.59  245.538  2223.79  206.453   84.255   5.0459   87.424   4.0889 -3.169182 6.494598 
1 1 1    7   17  -29 o   56.782   6.2237  985.091  175.698  968.487  334.316  991.426  206.518   55.511   10.817   58.052   6.1596 -2.540936 12.44740 
1 1 1    7   18  -29 o  123.944   2.0822  4440.90  148.510  4279.42  200.234  4638.34  221.408  121.466   2.8543  126.421   3.0324 -4.955315 4.164426 
1 1 1    7   19  -29 o   18.504   6.3025 -310.2247  172.527 -313.5836  326.792 -308.9267  203.145   21.524   10.143   15.484   7.4834 6.039248 12.60503 
1 1 1    7   20  -29 o  169.489   1.8373  8381.73  174.368  8539.12  222.139  8129.09  281.440  171.672   2.2405  167.306   2.9127 4.366058 3.674687 
1 1 1    7   21  -29 o  163.375   2.2995  7763.68  210.957  7745.94  268.533  7792.29  340.943  163.282   2.8476  163.468   3.6113 -0.1863098 4.598932 
1 1 1    7   22  -29 o   83.097   2.8826  2020.57  138.211  2056.10  200.542  1988.43  190.746   83.773   4.1449   82.422   4.0071 1.351433 5.765167 
1 1 1    7   23  -29 o  122.807   2.9496  4362.92  170.698  4315.65  191.843  4542.60  374.020  121.813   2.7269  123.801   5.2310 -1.987343 5.899103 
1 1 1    7   24  -29 o   62.479   4.0950  1186.68  142.287  1095.50  229.377  1243.71  181.408   60.165   6.6011   64.794   4.8477 -4.628151 8.189960 
1 1 1    7   25  -29 o   67.166   3.5434  1356.71  134.483  1275.58  209.352  1413.70  175.477   65.202   5.5594   69.130   4.3951 -3.928032 7.086854 
1 1 1    7   26  -29 o   13.568   4.6133 -203.1488  106.455 -158.2453  147.871 -251.4609  153.380   14.138   6.7102   12.998   6.3327 1.139567 9.226613 
1 1 1    7   27  -29 o   73.373   3.3299  1625.27  135.898  1671.60  172.253  1548.88  221.164   75.137   3.9694   71.609   5.3476 3.528069 6.659833 
1 1 1    7   28  -29 o   84.929   3.7347  2165.46  175.775  2260.57  295.191  2113.21  218.794   85.816   5.9559   84.042   4.5077 1.773766 7.469427 
1 1 1    7   29  -29 o   27.999   6.5199  273.037  132.443   97.195  227.493  363.195  162.895   23.356   9.8525   32.641   8.5419 -9.284706 13.03972 
1 1 1    7   30  -29 o   71.649   3.2747  1547.43  135.462  1602.22  192.933  1494.16  190.238   72.932   4.5804   70.365   4.6812 2.566895 6.549315 
1 1 1    7   31  -29 o   68.967   3.4157  1447.96  135.593  1545.92  189.331  1344.82  194.280   71.537   4.5826   66.397   5.0663 5.139450 6.831362 
1 1 1    7   32  -29 o   61.090   3.4945  1134.31  122.320  1094.50  161.999  1187.11  186.565   60.027   4.6728   62.153   5.1973 -2.125774 6.989090 
1 1 1    7   33  -29 o   40.752   7.5311  678.623  185.597  798.000  236.780  488.411  298.885   47.440   8.9707   34.064   12.099 13.37566 15.06222 
1 1 1    7   34  -29 f   17.099   5.6688 -123.4488  130.586 -191.5967  159.884   13.106  226.324   13.800   6.6620   20.397   9.1740 -6.597236 11.33770 
1 1 1    7    0  -30 o  103.523   4.2104  3129.85  248.570  3024.77  332.903  3262.26  373.685  101.610   5.7141  105.436   6.1854 -0.000000 0.000000 
1 1 1    7    1  -30 o   81.166   3.3907  1937.88  155.168  1808.33  243.036  2027.03  201.606   78.780   5.3416   83.553   4.1779 -4.772583 6.781384 
1 1 1    7    2  -30 o   88.992   3.0788  2423.76  129.979  2527.29  148.462  2083.92  268.987   93.439   2.7511   84.544   5.5089 8.895317 6.157614 
1 1 1    7    3  -30 f  118.162   2.9776  4042.57  195.428  4099.75  325.335  4010.29  244.445  118.724   4.7447  117.601   3.5990 1.123375 5.955246 
1 1 1    7    4  -30 o  148.850   2.0733  6433.73  177.657  6696.24  244.824  6141.76  258.201  152.086   2.7873  145.614   3.0702 6.471863 4.146689 
1 1 1    7    5  -30 o  109.266   2.6787  3452.50  160.349  3500.62  275.099  3427.74  197.339  109.759   4.3397  108.772   3.1413 0.9876862 5.357321 
1 1 1    7    6  -30 o   39.284   6.7276  502.626  152.417  595.717  187.306  320.165  262.230   45.024   7.2031   33.544   11.365 11.48019 13.45511 
1 1 1    7    7  -30 o  161.497   2.4004  7522.71  210.019  7449.77  255.407  7675.01  369.061  160.405   2.7570  162.590   3.9303 -2.184647 4.800799 
1 1 1    7    8  -30 o   51.818   4.2799  790.510  124.604  1035.61  180.959  569.518  171.829   59.588   5.2582   44.048   6.7544 15.54053 8.559836 
1 1 1    7    9  -30 o   29.255   7.7559  196.390  183.329  296.575  230.339   23.236  302.817   32.027   10.650   26.483   11.278 5.544371 15.51176 
1 1 1    7   10  -30 o  116.998   2.2240  3962.24  144.081  3989.48  241.165  3947.12  179.671  117.247   3.5615  116.750   2.6646 0.4965668 4.447953 
1 1 1    7   11  -30 o  175.031   2.1178  8825.46  190.467  8761.61  222.840  8998.56  366.931  174.009   2.2174  176.052   3.6088 -2.042786 4.235535 
1 1 1    7   12  -30 o   82.169   3.9786  2057.30  156.756  1829.94  322.025  2127.91  179.452   78.744   7.0809   85.595   3.6301 -6.850975 7.957182 
1 1 1    7   13  -30 o  152.020   1.9195  6597.68  162.492  7063.24  272.234  6340.02  202.525  156.062   3.0204  147.978   2.3697 8.084488 3.839020 
1 1 1    7   14  -30 o  150.516   1.7470  6556.96  151.780  6876.03  217.828  6255.85  211.605  154.076   2.4479  146.956   2.4932 7.120880 3.494018 
1 1 1    7   15  -30 o   55.997   6.3967  975.305  168.762  929.501  344.736  989.741  193.538   53.975   11.415   58.019   5.7758 -4.043495 12.79343 
1 1 1    7   16  -30 o  136.313   2.0152  5394.44  157.764  5418.50  212.465  5364.87  235.539  136.687   2.6914  135.939   3.0001 0.7488251 4.030395 
1 1 1    7   17  -30 o  105.169   2.7092  3175.28  161.923  2966.77  208.343  3493.36  257.325  100.940   3.5738  109.398   4.0727 -8.457687 5.418415 
1 1 1    7   18  -30 o   19.043   6.1549 -135.2492  154.544 -270.3714  238.007 -36.7476  203.212   17.834   8.4785   20.253   8.9246 -2.419161 12.30985 
1 1 1    7   19  -30 o  147.771   2.3594  6300.85  189.025  6187.98  229.643  6538.00  332.875  145.955   2.7243  149.587   3.8530 -3.632492 4.718832 
1 1 1    7   20  -30 o   63.192   5.0628  1159.96  160.935  1113.99  185.107  1302.28  325.729   61.370   5.2225   65.014   8.6750 -3.643242 10.12569 
1 1 1    7   21  -30 o  122.567   2.3620  4377.08  166.709  4271.26  226.083  4503.18  246.801  120.989   3.2355  124.145   3.4422 -3.156693 4.724066 
1 1 1    7   22  -30 o   60.142   3.7918  1081.79  131.184  1130.97  180.580  1026.82  190.895   61.695   5.0680   58.589   5.6415 3.106102 7.583614 
1 1 1    7   23  -30 o   81.949   3.1849  2026.17  144.627  1846.46  234.454  2136.56  183.754   78.636   5.1624   85.261   3.7316 -6.624771 6.369861 
1 1 1    7   24  -30 o   57.526   3.9303  1019.00  121.197  1060.56  148.405  935.780  210.004   59.816   4.2958   55.235   6.5830 4.580750 7.860665 
1 1 1    7   25  -30 o   91.320   3.0074  2482.61  153.132  2497.49  193.454  2457.64  250.592   92.031   3.6397   90.610   4.7885 1.420166 6.014755 
1 1 1    7   26  -30 o   48.866   5.3397  752.727  150.100  828.502  224.700  691.668  201.704   51.027   7.6247   46.706   7.4776 4.321205 10.67939 
1 1 1    7   27  -30 o   43.433   6.3640  654.953  152.104  710.856  193.372  564.237  246.332   47.423   7.0602   39.444   10.590 7.979122 12.72796 
1 1 1    7   28  -30 o   44.070   5.7972  630.974  143.172  500.371  189.408  805.073  218.684   38.162   8.7767   49.977   7.5763 -11.81491 11.59445 
1 1 1    7   29  -30 o  122.241   2.6643  4427.13  178.291  4385.83  219.408  4507.42  305.911  121.977   3.1145  122.504   4.3237 -0.5273666 5.328665 
1 1 1    7   30  -30 o   86.309   3.4006  2311.27  144.349  2359.17  166.848  2168.73  287.833   89.318   3.2344   83.299   5.9829 6.018364 6.801243 
1 1 1    7   31  -30 o   17.512   5.8901 -194.4233  161.282 -95.3391  242.460 -273.0621  216.001   19.343   8.9913   15.681   7.6111 3.661677 11.78017 
1 1 1    7   32  -30 o   61.426   4.9041  1239.12  171.833  1187.29  259.416  1279.64  229.367   59.630   7.5326   63.221   6.2818 -3.590576 9.808188 
1 1 1    7   33  -30 f   36.611   7.7056  584.271  183.570  671.567  229.348  428.643  306.224   42.067   9.6456   31.155   12.019 10.91242 15.41121 
1 1 1    7    0  -31 o  121.128   3.2875  4278.63  228.742  4184.12  332.037  4364.00  315.572  119.810   4.8162  122.446   4.4760 -0.000000 0.000000 
1 1 1    7    1  -31 o   40.684   5.5608  508.182  126.574  416.194  186.419  586.861  172.406   36.683   8.8917   44.686   6.6803 -8.003094 11.12159 
1 1 1    7    2  -31 o  120.411   2.6411  4275.60  154.937  4334.10  177.425  4087.73  317.970  122.356   2.5108  118.466   4.6474 3.889977 5.282240 
1 1 1    7    3  -31 o   35.067   6.3400  391.267  126.512  319.372  214.424  429.659  156.691   32.615   10.229   37.519   7.4934 -4.904446 12.67995 
1 1 1    7    4  -31 o   16.311   5.5592 -353.0351  154.791 -471.8958  208.861 -208.1956  230.559   14.016   6.9378   18.606   8.6883 -4.589224 11.11844 
1 1 1    7    5  -31 o   72.572   3.4104  1540.95  133.480  1550.44  162.347  1521.15  234.497   73.046   3.8482   72.098   5.6316 0.9483185 6.820809 
1 1 1    7    6  -31 o   27.742   7.3282  154.398  160.671   52.170  210.183  298.123  249.217   23.149   9.5956   32.336   11.079 -9.186907 14.65638 
1 1 1    7    7  -31 o   58.055   4.8386  988.419  160.247  1027.28  248.680  960.827  209.556   58.942   7.3051   57.168   6.3469 1.774128 9.677176 
1 1 1    7    8  -31 o   83.022   4.0787  1944.79  168.469  2174.84  347.870  1874.31  192.556   85.803   7.0199   80.242   4.1550 5.560837 8.157385 
1 1 1    7    9  -31 o   26.070   6.9898  125.134  150.496   11.158  203.126  263.839  224.081   21.642   9.2269   30.498   10.502 -8.855928 13.97966 
1 1 1    7   10  -31 o   40.777   6.9762  525.438  175.800  268.468  255.903  755.098  241.923   31.310   11.188   50.244   8.3369 -18.93468 13.95238 
1 1 1    7   11  -31 o   99.077   2.7986  2865.97  159.695  2989.99  221.036  2730.54  230.979  101.362   3.7757   96.791   4.1319 4.571129 5.597208 
1 1 1    7   12  -31 o   95.399   2.9747  2649.10  163.639  2553.20  223.901  2759.06  239.752   93.564   4.1434   97.234   4.2693 -3.669250 5.949393 
1 1 1    7   13  -31 o   75.114   3.0394  1651.05  131.033  1425.26  183.389  1886.56  187.291   69.806   4.5488   80.422   4.0324 -10.61569 6.078755 
1 1 1    7   14  -31 o   60.635   4.4271  1096.75  152.000  1050.18  236.595  1129.48  198.348   59.365   6.9007   61.905   5.5477 -2.540359 8.854203 
1 1 1    7   15  -31 o   16.352   5.6277 -372.8694  165.768 -598.2860  287.966 -261.1524  202.725   16.643   8.2212   16.060   7.6875 0.5829639 11.25547 
1 1 1    7   16  -31 o   17.886   8.7186 -744.4199  176.361 -479.5687  291.779 -896.8821  221.378   17.886   8.7186  ?   ?       ?      ? 
1 1 1    7   17  -31 f   54.350   6.6709  953.384  169.291  888.992  349.885  973.067  193.442   51.497   11.988   57.202   5.8554 -5.704659 13.34188 
1 1 1    7   18  -31 f   54.463   5.6858  1040.85  150.331  610.226  251.212  1281.09  187.637   43.086   10.245   65.841   4.9345 -22.75467 11.37156 
1 1 1    7   19  -31 o   32.647   6.9017  345.332  137.186  343.807  227.319  346.205  172.050   32.594   10.568   32.701   8.8805 -0.1072655 13.80344 
1 1 1    7   20  -31 o   79.961   4.1516  1759.19  152.866  2208.95  359.132  1659.67  168.933   84.787   7.3340   75.136   3.8930 9.650673 8.303205 
1 1 1    7   21  -31 o   51.810   5.1232  830.916  152.839  798.224  221.676  860.538  211.012   50.680   7.5735   52.940   6.9015 -2.259914 10.24640 
1 1 1    7   22  -31 o  106.668   2.2383  3354.53  129.498  3395.26  158.632  3273.15  224.212  107.919   2.5451  105.417   3.6827 2.501961 4.476576 
1 1 1    7   23  -31 o   23.477   6.5133  123.926  134.268  215.049  185.038   22.591  195.131   26.389   9.5045   20.565   8.9083 5.824013 13.02662 
1 1 1    7   24  -31 o   90.689   3.2854  2501.99  168.792  2219.57  255.192  2721.65  225.055   85.685   5.1568   95.693   4.0721 -10.00784 6.570730 
1 1 1    7   25  -31 o   29.899   7.0465  284.794  144.615  178.398  186.875  443.631  228.331   24.753   9.4290   35.045   10.474 -10.29195 14.09305 
1 1 1    7   26  -31 o   34.450   5.7532  400.650  112.751  370.630  157.979  431.817  160.971   33.014   8.2956   35.885   7.9739 -2.871178 11.50647 
1 1 1    7   27  -31 o   46.414   6.7703  734.726  169.119  698.059  206.467  809.485  294.816   46.325   7.7171   46.503   11.126 -0.1781464 13.54051 
1 1 1    7   28  -31 o   36.299   8.3936  545.945  211.440  632.291  260.711  380.007  361.419   40.855   10.862   31.743   12.800 9.111986 16.78718 
1 1 1    7   29  -31 o   36.487   6.5469  504.622  140.627  587.710  178.392  368.237  228.554   41.793   7.6734   31.180   10.610 10.61307 13.09375 
1 1 1    7   30  -31 o   87.313   3.8630  2427.43  178.885  2225.02  313.902  2524.78  217.693   83.170   6.5350   91.456   4.1214 -8.286316 7.726053 
1 1 1    7   31  -31 o   48.530   4.1029  746.885  114.896  705.553  160.204  790.661  164.871   47.081   5.8917   49.980   5.7117 -2.898434 8.205859 
1 1 1    7    0  -32 o   89.375   3.7177  2380.73  180.810  2462.86  225.816  2234.01  301.818   91.836   4.2787   86.915   6.0810 -0.000000 0.000000 
1 1 1    7    1  -32 o  175.825   2.3138  8953.37  225.698  8891.12  281.940  9064.44  376.599  175.111   2.7878  176.539   3.6936 -1.427216 4.627587 
1 1 1    7    2  -32 o   54.540   5.2620  968.301  133.966  1044.70  156.192  755.689  260.559   59.824   4.5206   49.255   9.5037 10.56884 10.52407 
1 1 1    7    3  -32 o  101.113   2.4968  2953.15  145.290  2748.81  195.670  3204.25  216.909   97.249   3.4838  104.978   3.5776 -7.729156 4.993632 
1 1 1    7    4  -32 o   38.121   7.0614  385.543  139.799  639.789  290.006  308.576  159.563   44.710   11.242   31.531   8.5478 13.17990 14.12285 
1 1 1    7    5  -32 o  117.356   3.0955  4028.44  204.766  3979.75  326.173  4060.11  263.064  116.630   4.8423  118.082   3.8574 -1.452354 6.190909 
1 1 1    7    6  -32 o   48.528   7.7077  774.538  198.279  827.862  234.939  642.538  369.641   52.641   7.7277   44.416   13.339 8.224712 15.41543 
1 1 1    7    7  -32 o  164.319   1.9661  7812.08  186.231  8163.95  273.885  7509.50  253.982  167.739   2.8272  160.900   2.7331 6.838470 3.932281 
1 1 1    7    8  -32 o   67.051   3.8939  1311.12  146.245  1275.81  184.423  1370.95  240.044   65.987   4.8392   68.114   6.1019 -2.126961 7.787898 
1 1 1    7    9  -32 o  103.584   2.2090  3120.40  132.059  3216.38  185.439  3021.64  188.108  105.216   3.0516  101.952   3.1947 3.264725 4.417964 
1 1 1    7   10  -32 o   48.013   5.8024  685.613  152.925  793.921  253.417  623.584  191.780   50.383   9.0411   45.642   7.2753 4.741165 11.60486 
1 1 1    7   11  -32 o   60.548   4.5692  1083.44  158.475  905.533  215.422  1293.29  233.959   55.080   6.7719   66.017   6.1362 -10.93720 9.138491 
1 1 1    7   12  -32 o   62.186   3.9123  1102.43  137.882  1439.67  219.037  881.085  177.452   69.807   5.4329   54.565   5.6309 15.24213 7.824548 
1 1 1    7   13  -32 o   14.120   5.1453 -632.4377  151.969 -827.7301  354.328 -588.4163  168.227   17.588   8.7611   10.651   5.3980 6.937240 10.29056 
1 1 1    7   14  -32 o   59.860   4.4391  1076.95  149.987  1044.78  236.380  1098.63  194.055   58.875   6.9518   60.846   5.5222 -1.970932 8.878135 
1 1 1    7   15  -32 o   29.339   7.2337  250.036  154.635  155.970  217.628  345.956  219.761   25.893   10.093   32.784   10.366 -6.890762 14.46737 
1 1 1    7   16  -32 o   47.367   4.8092  679.799  131.332  684.754  191.674  675.414  180.311   47.466   6.9919   47.268   6.6049 0.1978035 9.618302 
1 1 1    7   17  -32 o  106.755   2.8588  3345.67  175.328  3437.46  263.247  3272.50  235.046  107.977   4.2213  105.534   3.8563 2.443100 5.717599 
1 1 1    7   18  -32 o   95.129   3.3864  2737.30  170.597  2814.80  205.924  2567.75  304.599   97.892   3.6423   92.366   5.7099 5.525192 6.772712 
1 1 1    7   19  -32 o  101.030   3.2349  3017.51  181.584  3099.82  302.451  2971.11  227.060  101.712   5.1487  100.347   3.9179 1.365501 6.469832 
1 1 1    7   20  -32 o   79.240   3.8773  1874.71  156.981  1947.22  304.449  1848.46  183.215   79.453   6.6347   79.027   4.0142 0.4261475 7.754513 
1 1 1    7   21  -32 o  117.733   2.2948  4048.12  153.479  3937.23  198.642  4212.38  241.760  115.913   2.9673  119.553   3.5014 -3.640656 4.589572 
1 1 1    7   22  -32 o   43.557   7.4152  596.847  164.119  873.362  335.697  509.998  188.135   48.197   12.083   38.918   8.5993 9.279198 14.83038 
1 1 1    7   23  -32 f   86.336   4.0450  2320.55  180.260  2204.70  335.068  2367.74  213.843   83.590   6.9405   89.082   4.1564 -5.491928 8.089911 
1 1 1    7   24  -32 o   39.438   7.5958  594.669  178.709  657.213  222.900  482.120  299.012   43.607   9.1427   35.269   12.132 8.337955 15.19158 
1 1 1    7   25  -32 o   35.104   5.7650  418.372  131.175  147.112  184.100  698.102  186.952   23.365   9.2297   46.843   6.9103 -23.47855 11.52997 
1 1 1    7   26  -32 o   14.620   5.1207 -439.8568  155.640 -580.4947  208.130 -261.4382  234.425   12.453   6.2743   16.786   8.0943 -4.332884 10.24133 
1 1 1    7   27  -32 o   18.922   6.0752 -39.6270  144.798 -136.2100  234.419   19.957  184.122   18.434   8.6570   19.410   8.5259 -0.9763336 12.15044 
1 1 1    7   28  -32 o   86.141   3.0991  2251.25  154.158  2232.41  219.264  2269.67  216.782   85.742   4.4278   86.540   4.3373 -0.7985916 6.198210 
1 1 1    7   29  -32 o   73.484   4.7372  1771.47  191.209  1711.40  317.844  1805.53  239.367   71.089   7.7415   75.878   5.4621 -4.788437 9.474465 
1 1 1    7    0  -33 o   10.264   5.3016 -588.5114  184.366 -686.9413  296.502 -526.4646  235.409   10.774   7.8670   9.7538   7.1090 -0.000000 0.000000 
1 1 1    7    1  -33 o   39.500   5.6524  488.204  122.134  445.810  200.358  513.271  154.069   37.448   9.3050   41.553   6.4199 -4.105125 11.30476 
1 1 1    7    2  -33 o   31.396   7.4159  308.600  145.796  133.734  340.232  347.933  161.362   29.541   12.224   33.251   8.3999 -3.709742 14.83171 
1 1 1    7    3  -33 o   36.005   6.2713  407.371  130.565  499.280  190.351  325.709  179.426   39.856   8.5272   32.153   9.1979 7.702934 12.54251 
1 1 1    7    4  -33 f   98.173   3.8980  2998.26  176.439  2587.16  378.144  3112.67  199.485   92.952   7.0439  103.394   3.3407 -10.44118 7.795911 
1 1 1    7    5  -33 o   36.247   7.1956  395.273  168.290  188.999  226.676  648.607  251.206   27.528   10.409   44.965   9.9377 -17.43650 14.39115 
1 1 1    7    6  -33 o  141.616   1.8833  5814.61  153.911  6062.96  223.143  5589.24  212.567  144.493   2.6739  138.739   2.6528 5.753479 3.766636 
1 1 1    7    7  -33 o   16.855   5.5690 -262.6956  142.135 -486.1679  197.394 -22.0686  204.831   13.110   6.5319   20.599   9.0217 -7.489060 11.13810 
1 1 1    7    8  -33 o  117.231   2.4710  4002.11  160.973  3981.59  201.653  4038.16  267.259  116.980   2.9848  117.481   3.9389 -0.5009384 4.942064 
1 1 1    7    9  -33 o   21.702   7.1212 -214.3235  185.439   4.3284  357.004 -295.1162  217.011   27.119   11.893   16.285   7.8362 10.83450 14.24249 
1 1 1    7   10  -33 o  113.427   2.4493  3744.59  148.445  3790.94  266.953  3723.84  178.606  113.695   4.0655  113.160   2.7329 0.5339432 4.898616 
1 1 1    7   11  -33 o  122.415   2.7755  4375.91  159.213  4424.85  349.062  4363.06  178.907  122.302   4.9418  122.528   2.5282 -0.2259140 5.550936 
1 1 1    7   12  -33 o   43.952   6.8460  629.731  168.884  690.024  248.191  577.742  230.468   45.958   9.6575   41.946   9.7058 4.011131 13.69200 
1 1 1    7   13  -33 o   73.490   4.2367  1593.89  171.724  1725.89  294.035  1525.56  211.551   75.362   6.7556   71.618   5.1146 3.744324 8.473308 
1 1 1    7   14  -33 o   50.611   5.0974  782.042  140.015  802.038  243.958  772.221  170.979   50.567   8.3534   50.655   5.8444 -0.8763123E-01 10.19486 
1 1 1    7   15  -33 o   26.253   7.0862  185.618  149.381  204.393  216.145  168.451  206.686   26.968   10.172   25.538   9.8684 1.430084 14.17246 
1 1 1    7   16  -33 o   77.206   3.4977  1792.77  154.156  1867.43  205.934  1697.61  232.492   79.272   4.4980   75.139   5.3575 4.133461 6.995317 
1 1 1    7   17  -33 o   21.242   6.4486 -29.7741  143.988  179.108  234.818 -155.6378  182.277   26.310   10.414   16.175   7.6082 10.13436 12.89719 
1 1 1    7   18  -33 f   19.894   6.4085 -90.8004  164.428 -183.2733  231.232   3.7875  233.862   18.124   8.5384   21.664   9.5588 -3.539783 12.81698 
1 1 1    7   19  -33 o   65.848   4.2733  1331.14  162.389  1383.48  235.363  1283.58  224.339   67.059   6.0771   64.637   6.0095 2.422470 8.546669 
1 1 1    7   20  -33 o   55.462   4.3779  962.837  133.026  990.693  165.986  912.820  222.417   57.234   5.0215   53.691   7.1727 3.542839 8.755754 
1 1 1    7   21  -33 o   61.327   3.9092  1148.69  138.242  1240.28  200.794  1066.16  190.611   63.689   5.4588   58.965   5.5971 4.723808 7.818355 
1 1 1    7   22  -33 o   48.987   4.6513  753.428  130.723  767.521  196.911  742.322  174.799   49.173   6.9337   48.801   6.2019 0.3715134 9.302629 
1 1 1    7   23  -33 o   75.647   4.4194  1786.19  190.041  1827.49  296.737  1757.48  247.445   75.873   6.7717   75.422   5.6806 0.4513397 8.838875 
1 1 1    7   24  -33 o   48.575   4.7945  721.623  128.495  864.632  223.493  651.009  157.047   51.488   7.5157   45.662   5.9551 5.826729 9.589053 
1 1 1    7   25  -33 o   27.463   7.7007  209.914  162.192  407.262  321.739  142.675  187.800   31.927   12.319   22.998   9.2431 8.928246 15.40133 
1 1 1    7   26  -33 o   71.092   3.3316  1560.58  130.764  1484.85  215.738  1604.57  164.406   69.091   5.4065   73.093   3.8945 -4.001953 6.663189 
1 1 1    7   27  -33 o   33.490   7.2888  431.014  151.937  382.064  194.354  507.946  243.652   31.615   9.7096   35.364   10.873 -3.748533 14.57757 
1 1 1    7   28  -33 o   39.499   7.4139  639.616  172.474  576.209  272.103  682.200  222.993   36.340   11.539   42.658   9.3125 -6.318207 14.82786 
1 1 1    7    0  -34 o   91.436   4.8347  2516.01  251.040  2636.40  346.823  2383.51  363.835   93.960   6.4614   88.912   7.1937 -0.000000 0.000000 
1 1 1    7    1  -34 o   79.985   3.0890  1960.75  130.760  1671.16  227.558  2103.51  159.771   75.064   5.2490   84.906   3.2582 -9.842781 6.178003 
1 1 1    7    2  -34 o   27.584   6.7473  180.329  129.549  371.615  225.205   85.725  158.377   33.806   10.463   21.361   8.5218 12.44485 13.49464 
1 1 1    7    3  -34 f   14.651   5.0614 -393.2245  147.435 -763.7506  250.027 -195.7043  182.550   13.525   6.8221   15.777   7.4786 -2.251801 10.12277 
1 1 1    7    4  -34 o   47.395   7.1784  749.739  165.434  769.440  188.221  682.831  346.865   50.553   6.4467   44.238   12.828 6.314960 14.35690 
1 1 1    7    5  -34 o   88.822   3.4514  2372.09  153.803  2412.48  178.960  2257.97  300.832   90.847   3.4108   86.796   6.0012 4.050713 6.902740 
1 1 1    7    6  -34 o   57.070   4.6053  989.864  136.991  967.940  253.441  998.914  162.827   56.062   7.8274   58.077   4.8544 -2.014561 9.210515 
1 1 1    7    7  -34 o  145.773   2.0912  6163.17  169.756  6323.29  281.587  6071.75  212.767  147.069   3.3152  144.476   2.5499 2.593674 4.182386 
1 1 1    7    8  -34 o   17.060   5.7977 -301.8061  165.476 -360.3643  224.056 -231.5365  245.440   15.694   7.6475   18.426   8.7159 -2.732170 11.59535 
1 1 1    7    9  -34 o  130.870   2.3791  5011.39  178.733  5044.43  268.199  4985.00  239.723  131.161   3.5405  130.578   3.1787 0.5823364 4.758121 
1 1 1    7   10  -34 o   76.936   4.3084  1772.67  157.518  1823.86  337.980  1758.47  178.036   76.629   7.6368   77.242   3.9909 -0.6125946 8.616714 
1 1 1    7   11  -34 o   81.437   3.1288  1950.68  144.932  2055.59  227.831  1879.37  187.839   83.101   4.7470   79.772   4.0771 3.328842 6.257512 
1 1 1    7   12  -34 o   55.243   4.4593  865.431  135.792  1170.19  240.061  722.039  164.668   61.668   6.7402   48.817   5.8406 12.85156 8.918687 
1 1 1    7   13  -34 o   30.098   7.8779  190.359  159.093  541.322  340.505   92.348  179.941   38.184   12.950   22.012   8.9745 16.17282 15.75589 
1 1 1    7   14  -34 o   67.609   3.4715  1383.74  130.303  1420.51  164.693  1322.22  213.062   69.195   4.1212   66.024   5.5875 3.170799 6.942944 
1 1 1    7   15  -34 o   26.459   6.2371  193.676  135.870  392.985  179.853 -71.2845  207.370   33.982   9.0154   18.935   8.6214 15.04759 12.47422 
1 1 1    7   16  -34 f   18.045   5.9665 -133.3244  149.742 -169.4447  247.505 -112.4699  188.065   18.957   8.9003   17.133   7.9487 1.824005 11.93301 
1 1 1    7   17  -34 o   77.116   3.6425  1878.06  153.885  2142.79  199.239  1486.63  242.270   84.830   4.0667   69.402   6.0442 15.42808 7.284943 
1 1 1    7   18  -34 o   49.542   5.4557  799.853  146.781  806.200  186.415  789.498  238.104   50.861   6.3461   48.224   8.8762 2.637569 10.91148 
1 1 1    7   19  -34 o   49.603   5.3454  787.940  152.581  716.169  206.019  875.135  227.079   47.111   7.5718   52.095   7.5474 -4.984386 10.69089 
1 1 1    7   20  -34 o   43.178   8.1068  737.094  199.991  642.163  369.665  776.377  237.796   38.892   13.483   47.463   9.0043 -8.570496 16.21364 
1 1 1    7   21  -34 o   19.593   6.0881 -13.8033  142.191  110.691  179.352 -224.4628  233.303   21.948   8.9554   17.238   8.2500 4.709581 12.17626 
1 1 1    7   22  -34 o   84.539   3.5438  2281.79  161.682  1852.35  264.796  2537.06  204.158   76.933   5.9596   92.146   3.8362 -15.21329 7.087537 
1 1 1    7   23  -34 o   42.254   7.3267  638.608  158.549  602.723  181.764  752.782  324.222   42.215   7.7405   42.294   12.442 -0.7963562E-01 14.65338 
1 1 1    7   24  -34 o   45.527   5.4297  651.368  126.686  585.775  148.635  825.576  242.229   43.010   5.9836   48.044   9.0621 -5.033222 10.85934 
1 1 1    7   25  -34 o   41.762   5.4141  587.310  124.713  634.073  200.725  557.908  159.161   42.169   8.5347   41.354   6.6640 0.8151894 10.82821 
1 1 1    7    0  -35 o   30.342   9.9639  375.207  212.384  691.800  338.681  170.023  272.655   39.755   15.472   20.929   12.559 -0.000000 0.000000 
1 1 1    7    1  -35 o   44.187   6.0123  591.467  153.432  591.467  153.432   0.0000   0.0000   44.187   6.0123  ?   ?       ?      ? 
1 1 1    7    2  -35 o   42.981   5.8153  632.114  130.647  713.555  160.952  474.809  223.689   48.630   5.7307   37.331   10.121 11.29881 11.63064 
1 1 1    7    3  -35 o   36.178   7.0958  456.838  155.749  525.730  201.220  353.881  245.989   39.865   8.9579   32.492   11.007 7.373657 14.19159 
1 1 1    7    4  -35 f   83.108   4.3122  2058.70  167.171  2030.74  187.448  2167.34  369.538   82.971   3.9117   83.245   7.6863 -0.2736893 8.624420 
1 1 1    7    5  -35 o   64.528   4.2609  1181.27  132.277  1425.24  289.834  1117.08  148.663   67.629   7.4204   61.426   4.1905 6.202999 8.521897 
1 1 1    7    6  -35 o   13.714   4.7770 -370.3997  135.005 -464.2058  202.555 -295.4174  181.095   13.379   6.6577   14.048   6.8523 -0.6696568 9.554036 
1 1 1    7    7  -35 o   15.509   5.5856 -705.9274  185.169 -574.4543  359.735 -753.3185  215.979   19.152   9.4075   11.866   6.0244 7.286839 11.17110 
1 1 1    7    8  -35 o  129.862   3.0886  5047.25  209.156  5092.75  248.409  4936.42  387.680  131.705   3.2657  128.020   5.2434 3.685349 6.177221 
1 1 1    7    9  -35 o   76.823   3.5036  1715.95  147.825  1598.98  180.322  1955.63  258.129   73.343   4.2570   80.302   5.5658 -6.959419 7.007125 
1 1 1    7   10  -35 o   16.983   5.8778 -408.3558  187.809 -420.3558  244.363 -391.0378  293.559   15.769   7.7472   18.197   8.8417 -2.427958 11.75557 
1 1 1    7   11  -35 o   28.068   6.4507  271.937  136.333  386.282  163.140   7.2080  248.230   33.950   8.3727   22.186   9.8155 11.76402 12.90143 
1 1 1    7   12  -35 o   32.237   6.9460  362.785  141.146  382.549  200.061  343.199  199.163   33.065   9.7866   31.408   9.8594 1.656860 13.89196 
1 1 1    7   13  -35 f   24.753   6.7922  172.390  143.492  247.783  164.489 -67.6573  293.509   27.261   8.9970   22.245   10.178 5.015284 13.58440 
1 1 1    7   14  -35 o   54.358   5.1665  939.353  161.873  862.964  223.452  1023.71  234.818   51.938   7.4493   56.779   7.1608 -4.841145 10.33293 
1 1 1    7   15  -35 o   28.110   6.5005  270.635  124.251  203.600  184.005  326.820  168.456   25.498   9.4312   30.722   8.9487 -5.224106 13.00103 
1 1 1    7   16  -35 o   16.303   5.4774 -166.4411  135.429 -228.6511  227.180 -132.1459  168.678   17.008   8.1403   15.598   7.3310 1.410207 10.95486 
1 1 1    7   17  -35 o   21.092   5.9966 -23.4550  131.240  274.933  198.584 -254.8401  174.872   28.194   9.8764   13.991   6.8039 14.20340 11.99319 
1 1 1    7   18  -35 o   91.200   3.9007  2592.18  193.703  2656.92  239.833  2470.72  328.503   93.892   4.4228   88.508   6.4265 5.384399 7.801318 
1 1 1    7   19  -35 o   42.018   6.0109  626.246  139.396  713.566  180.751  498.092  218.973   47.347   6.6100   36.689   10.042 10.65815 12.02182 
1 1 1    7   20  -35 o   29.165   7.1249  315.282  144.087  341.099  171.943  254.396  264.051   30.794   9.0613   27.536   10.998 3.257593 14.24974 
1 1 1    7   21  -35 o   21.078   6.7200   3.5245  171.592 -18.0243  229.023   31.101  259.083   20.120   9.1221   22.036   9.8704 -1.915592 13.44009 
1 1 1    7   22  -35 o   34.894   6.9194  461.305  143.917  448.662  189.060  478.724  221.926   34.790   9.2498   34.997   10.293 -0.2072487 13.83877 
1 1 1    7   23  -35 o   40.483   6.7310  620.660  153.272  633.051  199.781  602.932  238.963   42.016   8.5244   38.949   10.419 3.066925 13.46208 
1 1 1    7    0  -36 o   23.224   9.8822  217.241  245.307   90.531  338.180  357.944  356.366   19.979   12.837   26.469   15.028 -0.000000 0.000000 
1 1 1    7    1  -36 o   28.263   6.3933  265.693  133.600   58.573  212.406  401.272  171.850   22.054   9.4197   34.473   8.6466 -12.41908 12.78652 
1 1 1    7    2  -36 o   66.541   4.1203  1369.17  151.365  1410.20  190.420  1298.73  249.475   68.504   4.8130   64.577   6.6890 3.926819 8.240594 
1 1 1    7    3  -36 o   99.560   3.0554  2963.92  174.575  3027.46  235.740  2886.75  259.781  100.942   4.0437   98.178   4.5815 2.764244 6.110774 
1 1 1    7    4  -36 o   75.301   4.5174  1778.15  192.653  1903.18  255.615  1613.74  293.125   78.995   5.6027   71.607   7.0878 7.388054 9.034792 
1 1 1    7    5  -36 o   12.128   4.2951 -473.7063  128.556 -591.8981  189.777 -373.4772  174.762   11.581   5.8537   12.676   6.2869 -1.094893 8.590198 
1 1 1    7    6  -36 o   18.857   6.2024 -151.7652  162.765 -27.3981  247.048 -247.1539  216.360   21.337   9.5918   16.377   7.8661 4.959850 12.40474 
1 1 1    7    7  -36 o   20.557   6.4676 -37.3359  147.743  104.474  251.481 -112.0786  182.572   24.304   10.311   16.810   7.8102 7.493435 12.93522 
1 1 1    7    8  -36 o   27.274   6.7084  260.329  124.446  305.107  133.934 -22.5204  336.618   30.295   7.6526   24.253   11.020 6.041372 13.41671 
1 1 1    7    9  -36 f   26.190   7.0861   80.587  136.018  477.095  290.058 -31.1835  154.001   35.373   11.953   17.008   7.6147 18.36449 14.17211 
1 1 1    7   10  -36 o   26.668   6.9459  196.690  129.776  140.689  152.952  340.625  245.213   22.438   8.5344   30.898   10.961 -8.459541 13.89173 
1 1 1    7   11  -36 o   39.477   5.7046  551.791  124.271  669.126  160.441  375.830  196.476   46.470   5.9781   32.485   9.7177 13.98466 11.40926 
1 1 1    7   12  -36 o   28.148   6.6470  274.782  134.719  146.041  210.424  364.205  175.373   24.040   9.7408   32.257   9.0471 -8.217211 13.29406 
1 1 1    7   13  -36 o   72.498   3.9211  1667.66  148.219  1749.89  178.552  1485.41  265.823   76.516   4.0404   68.480   6.7212 8.036537 7.842143 
1 1 1    7   14  -36 o   33.144   6.1813  396.545  120.227  318.163  198.402  442.030  151.136   29.812   9.8830   36.475   7.4268 -6.662838 12.36251 
1 1 1    7   15  -36 f   49.413   4.8744  784.099  137.996  759.022  205.846  804.569  185.975   48.345   7.3724   50.482   6.3787 -2.137508 9.748829 
1 1 1    7   16  -36 o   29.541   6.5250  306.719  123.136  367.081  187.203  260.687  163.480   31.778   9.4809   27.304   8.9673 4.474630 13.04992 
1 1 1    7   17  -36 o   82.653   4.5423  2128.50  181.357  2260.83  379.709  2089.39  206.423   82.144   8.0037   83.161   4.2979 -1.017204 9.084624 
1 1 1    7   18  -36 o   56.126   6.6446  1175.60  196.046  1376.89  254.214  880.219  307.953   65.246   6.7462   47.005   11.450 18.24115 13.28926 
1 1 1    7   19  -36 o   61.679   4.9888  1254.16  177.084  1170.34  253.589  1333.94  247.396   59.277   7.4073   64.081   6.6847 -4.803463 9.977614 
1 1 1    7   20  -36 o   37.834   7.5889  576.662  174.622  670.294  254.193  492.985  240.298   40.991   10.643   34.677   10.821 6.313412 15.17778 
1 1 1    7    0  -37 o   10.841   7.6870 -231.3788  201.765 -231.3788  201.765   0.0000   0.0000   10.841   7.6870   10.841   7.6870 -0.000000 0.000000 
1 1 1    7    1  -37 o   31.630   7.0522  347.941  143.606  281.547  188.915  438.823  221.024   28.558   9.6462   34.703   10.290 -6.145504 14.10441 
1 1 1    7    2  -37 o   68.676   4.0776  1408.51  161.733  1408.51  161.733   0.0000   0.0000   68.676   4.0776  ?   ?       ?      ? 
1 1 1    7    3  -37 o   19.310   6.4309 -134.2345  173.440 -42.0174  198.701 -429.3245  355.445   18.876   8.5329   19.744   9.6236 -0.8674259 12.86175 
1 1 1    7    4  -37 o   62.415   4.7333  1252.08  135.354  1181.62  294.566  1270.94  152.395   59.589   8.5591   65.241   4.0445 -5.651604 9.466583 
1 1 1    7    5  -37 o   17.157   5.5882 -177.7633  135.117 -374.6385  182.914   58.689  200.458   13.027   6.4561   21.287   9.1230 -8.259398 11.17631 
1 1 1    7    6  -37 o   51.088   7.4105  915.935  203.632  837.977  252.053  1062.44  345.530   49.177   9.2132   52.999   11.609 -3.822803 14.82102 
1 1 1    7    7  -37 o   24.426   6.8506  161.007  147.530  229.385  199.012   77.589  219.812   26.482   9.8057   22.370   9.5693 4.112516 13.70118 
1 1 1    7    8  -37 o   46.993   8.4412  837.466  227.473  695.141  294.324  1048.59  358.467   42.240   11.675   51.746   12.194 -9.505939 16.88243 
1 1 1    7    9  -37 o   30.931   7.1102  348.182  148.145  276.394  214.237  413.965  205.080   28.186   10.216   33.675   9.8923 -5.488941 14.22032 
1 1 1    7   10  -37 o   17.169   5.5412 -102.5479  129.125 -263.9366  187.865   41.968  177.774   14.512   7.0563   19.827   8.5457 -5.314463 11.08245 
1 1 1    7   11  -37 o   38.309   5.8672  477.563  124.137  667.268  203.287  364.761  156.758   44.217   8.2642   32.401   8.3307 11.81652 11.73446 
1 1 1    7   12  -37 o   65.932   3.7491  1347.76  139.260  1305.25  219.967  1376.19  179.907   64.559   5.8995   67.306   4.6282 -2.747322 7.498295 
1 1 1    7   13  -37 o   19.534   6.1352   10.049  136.702   11.714  178.102   7.6625  213.267   18.894   8.3390   20.173   9.0014 -1.279057 12.27042 
1 1 1    7   14  -37 o   54.755   3.6615  916.617  114.183  986.936  179.222  868.574  148.140   56.261   5.5156   53.249   4.8170 3.012886 7.322976 
1 1 1    7   15  -37 o   14.206   4.8810 -217.9716  121.851 -166.4069  149.697 -319.2241  209.768   13.674   6.5611   14.739   7.2284 -1.065576 9.762023 
1 1 1    7   16  -37 o   16.466   5.2840 -58.9230  114.680 -200.4763  177.847   41.826  150.040   14.629   7.0531   18.304   7.8700 -3.674847 10.56801 
1 1 1    7   17  -37 o   26.749   6.6724  262.872  126.349  288.070  200.925  246.390  162.498   27.498   9.9041   25.999   8.9439 1.498693 13.34479 
1 1 1    7    0  -38 f   13.044   6.2872 -88.9440  148.325 -178.2676  224.777 -20.0504  197.405   12.240   8.5615   13.849   9.2096 -0.000000 0.000000 
1 1 1    7    1  -38 o   51.876   3.9257  833.459  117.565  854.904  169.415  813.540  163.278   52.496   5.5877   51.256   5.5157 1.240330 7.851456 
1 1 1    7    2  -38 o   15.279   5.3092 -275.6176  135.648 -287.5697  159.285 -244.0699  258.784   12.615   6.2089   17.943   8.6140 -5.327407 10.61847 
1 1 1    7    3  -38 o   71.765   4.0762  1603.65  165.033  1595.47  212.231  1616.15  262.477   72.115   5.0957   71.416   6.3637 0.6982346 8.152442 
1 1 1    7    4  -38 o   40.265   6.6265  581.327  154.295  410.452  211.258  776.686  225.887   33.108   10.116   47.423   8.5625 -14.31513 13.25299 
1 1 1    7    5  -38 o   19.698   6.3304 -56.9355  161.446 -182.2558  233.122   58.563  223.800   17.670   8.3980   21.726   9.4748 -4.055300 12.66086 
1 1 1    7    6  -38 o   60.245   6.6172  1258.45  225.145  1371.62  361.867  1186.97  287.587   61.400   10.205   59.089   8.4270 2.310787 13.23437 
1 1 1    7    7  -38 o   22.993   7.0843   94.468  130.202   87.355  139.676  141.629  359.643   19.607   7.9391   26.378   11.735 -6.771461 14.16854 
1 1 1    7    8  -38 o   22.870   6.5133  139.292  133.689   85.440  188.447  193.856  189.688   21.157   8.9483   24.584   9.4667 -3.426468 13.02651 
1 1 1    7    9  -38 o   20.392   6.4110   36.321  142.398 -156.3889  304.161   90.415  161.149   20.416   9.6706   20.368   8.4191 0.4803848E-01 12.82194 
1 1 1    7   10  -38 o   41.269   7.2343  695.975  146.307  562.153  370.915  720.633  159.217   34.722   13.270   47.815   5.7655 -13.09334 14.46850 
1 1 1    7   11  -38 o   15.754   5.3027 -166.6364  131.698 -227.5406  178.081 -93.1182  195.656   14.274   6.9242   17.234   8.0330 -2.960076 10.60540 
1 1 1    7   12  -38 o   27.179   6.9377  259.268  138.109  187.289  176.939  371.498  220.939   23.808   9.1495   30.550   10.431 -6.742254 13.87530 
1 1 1    7   13  -38 o   13.448   4.6331 -228.1504  116.049 -215.5621  159.349 -242.3674  169.343   13.360   6.4969   13.535   6.6072 -0.1742868 9.266273 
1 1 1    7    0  -39 o   68.412   4.7160  1476.17  181.582  1414.91  263.318  1531.71  250.735   66.732   7.0092   70.092   6.3115 -0.000000 0.000000 
1 1 1    7    1  -39 o   39.555   6.7494  576.060  150.707  515.930  196.094  662.827  235.557   37.368   9.1575   41.742   9.9176 -4.373909 13.49889 
1 1 1    7    2  -39 o   38.670   7.9268  587.290  186.498  815.998  300.038  443.289  238.077   44.348   11.587   32.992   10.821 11.35680 15.85369 
1 1 1    7    3  -39 o   67.792   5.5826  1546.46  147.628  1543.15  159.676  1565.99  387.403   71.548   3.8642   64.035   10.475 7.513474 11.16516 
1 1 1    7    4  -39 o   45.985   6.1726  772.766  157.389  934.398  215.661  588.586  230.213   53.113   7.0305   38.858   10.148 14.25435 12.34527 
1 1 1    7    5  -39 o   17.220   8.6471 -689.8851  165.599 -759.6239  378.465 -673.3719  184.164   17.220   8.6471  ?   ?       ?      ? 
1 1 1    7    6  -39 f   38.109   6.4245  539.911  139.412  528.484  195.749  551.674  198.599   37.670   9.0996   38.548   9.0715 -0.8787727 12.84894 
1 1 1    7    7  -39 o   19.283   5.9638   5.7113  123.628 -82.2563  154.593  161.773  205.910   15.333   7.1448   23.233   9.5509 -7.900180 11.92758 
1 1 1    8    0    0 o  374.533   2.3691 40517.08  512.337 41147.86  727.397 39896.06  721.745  377.427   3.3376  371.639   3.3632 -0.000000 0.000000 
1 1 1    8    1    0 f   10.860   5.1121 -36.7191   79.520  -2.5214  138.587 -53.5046   97.094   12.659   8.1657   9.0606   6.1526 -0.000000 0.000000 
1 1 1    8    2    0 o  138.702   1.4500  5546.78  106.736  5527.54  127.778  5591.19  194.148  138.323   1.6000  139.080   2.4187 -0.000000 0.000000 
1 1 1    8    3    0 f  645.054   3.3140 120725.70  1162.03 118642.80  2009.96 121771.40  1424.15  640.815   5.4318  649.294   3.7981 -0.000000 0.000000 
1 1 1    8    4    0 o  494.481   2.6467 70686.91  712.966 70457.08  1232.36 70802.53  874.102  493.851   4.3215  495.111   3.0571 -0.000000 0.000000 
1 1 1    8    5    0 o  443.088   2.8120 56718.47  719.417 57073.76  1014.18 56358.62  1020.66  444.486   3.9514  441.690   4.0019 -0.000000 0.000000 
1 1 1    8    6    0 o  175.895   1.3837  8884.63  132.415  8780.97  161.624  9096.26  230.930  174.355   1.6053  177.435   2.2543 -0.000000 0.000000 
1 1 1    8    7    0 o  286.814   1.3805 23758.78  228.641 23735.11  321.587 23782.97  325.137  286.669   1.9426  286.958   1.9620 -0.000000 0.000000 
1 1 1    8    8    0 o  223.194   1.7450 14409.02  224.418 14704.19  309.518 14081.85  325.863  225.611   2.3760  220.777   2.5564 -0.000000 0.000000 
1 1 1    8    9    0 o  176.466   1.4336  8927.53  136.828  9191.92  241.685  8802.82  165.991  178.362   2.3471  174.570   1.6467 -0.000000 0.000000 
1 1 1    8   10    0 o  485.257   2.5939 68175.70  685.759 67538.51  1183.30 68497.93  841.473  483.523   4.2381  486.991   2.9921 -0.000000 0.000000 
1 1 1    8   11    0 o   85.180   2.2750  2111.51  110.967  2024.21  163.496  2186.07  151.099   83.513   3.4026   86.847   3.0208 -0.000000 0.000000 
1 1 1    8   12    0 o  297.162   1.4385 25505.94  246.840 25826.60  348.907 25184.63  349.262  299.033   2.0205  295.292   2.0481 -0.000000 0.000000 
1 1 1    8   13    0 o   6.6774   4.9306 -555.4227  104.116 -465.7750  144.127 -653.2629  150.569   6.6774   4.9306   6.6774   4.9306 -0.000000 0.000000 
1 1 1    8   14    0 o  357.260   2.3667 36870.02  488.217 37252.02  691.992 36491.40  688.904  359.103   3.3372  355.417   3.3568 -0.000000 0.000000 
1 1 1    8   15    0 o  595.247   3.1258 102197.70  1012.05 102816.80  1758.76 101891.20  1237.46  596.558   5.1055  593.936   3.6078 -0.000000 0.000000 
1 1 1    8   16    0 o  518.107   2.6941 77305.88  763.387 76814.31  937.853 78271.02  1314.14  515.700   3.1491  520.515   4.3721 -0.000000 0.000000 
1 1 1    8   17    0 o  323.217   1.5407 30172.73  287.567 30428.18  407.767 29919.97  405.603  324.578   2.1755  321.856   2.1822 -0.000000 0.000000 
1 1 1    8   18    0 f  100.478   2.2098  2852.15  113.840  2770.46  132.543  3081.89  222.275   97.861   2.3482  103.094   3.7443 -0.000000 0.000000 
1 1 1    8   19    0 o  109.315   2.4576  3461.84  154.299  3461.81  209.952  3461.89  227.530  109.329   3.3321  109.302   3.6133 -0.000000 0.000000 
1 1 1    8   20    0 o  124.974   2.2382  4514.93  161.434   0.0000   0.0000  4514.93  161.434  124.974   2.2382  124.974   2.2382 -0.000000 0.000000 
1 1 1    8   21    0 o  419.163   2.7362 50763.89  662.133 50783.24  946.055 50745.31  927.031  419.239   3.9080  419.087   3.8308 -0.000000 0.000000 
1 1 1    8   22    0 o  257.004   2.0419 19098.69  302.273 19300.52  414.679 18869.87  441.543  258.460   2.7787  255.548   2.9926 -0.000000 0.000000 
1 1 1    8   23    0 o  242.001   1.6992 16831.63  223.272 17176.50  390.632 16664.30  272.098  243.815   2.7749  240.187   1.9618 -0.000000 0.000000 
1 1 1    8   24    0 f  182.002   1.9134  9569.80  201.077   0.0000   0.0000  9569.80  201.077  182.002   1.9134  182.002   1.9134 -0.000000 0.000000 
1 1 1    8   25    0 o  357.101   2.3438 36754.58  482.350 40134.49  700.313 33703.97  665.324  372.689   3.2541  341.514   3.3739 -0.000000 0.000000 
1 1 1    8   26    0 o  387.220   3.4489 43330.89  771.172   0.0000   0.0000 43330.89  771.172  387.220   3.4489  387.220   3.4489 -0.000000 0.000000 
1 1 1    8   27    0 o  522.140   4.4641 78825.40  1345.96   0.0000   0.0000 78825.40  1345.96  522.140   4.4641  522.140   4.4641 -0.000000 0.000000 
1 1 1    8   28    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   29    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   30    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   31    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   32    0 o  142.346   2.2835  5849.42  187.143  5367.85  257.763  6386.23  272.143  136.152   3.2823  148.540   3.1755 -0.000000 0.000000 
1 1 1    8   33    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   34    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   35    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   36    0 o   95.082   4.7792  2637.25  260.935   0.0000   0.0000  2637.25  260.935   95.082   4.7792   95.082   4.7792 -0.000000 0.000000 
1 1 1    8   37    0 o   84.552   5.8830  2103.36  284.085   0.0000   0.0000  2103.36  284.085   84.552   5.8830   84.552   5.8830 -0.000000 0.000000 
1 1 1    8   38    0 o  125.178   4.2031  4552.13  303.088   0.0000   0.0000  4552.13  303.088  125.178   4.2031  125.178   4.2031 -0.000000 0.000000 
1 1 1    8   39    0 f   52.030   6.3375  821.021  182.899   0.0000   0.0000  821.021  182.899   52.030   6.3375   52.030   6.3375 -0.000000 0.000000 
1 1 1    8   40    0 o   28.267   11.300  325.230  178.861   0.0000   0.0000  325.230  178.861   28.267   11.300   28.267   11.300 -0.000000 0.000000 
1 1 1    8   41    0 o   19.067   11.865   80.534  263.964   0.0000   0.0000   80.534  263.964   19.067   11.865   19.067   11.865 -0.000000 0.000000 
1 1 1    8   42    0 o   29.771   10.821  348.762  171.097   0.0000   0.0000  348.762  171.097   29.771   10.821   29.771   10.821 -0.000000 0.000000 
1 1 1    8   43    0 o  150.408   2.4798  6554.95  215.284   0.0000   0.0000  6554.95  215.284  150.408   2.4798  150.408   2.4798 -0.000000 0.000000 
1 1 1    8   44    0 o   47.468   7.0778  707.955  181.333   0.0000   0.0000  707.955  181.333   47.468   7.0778   47.468   7.0778 -0.000000 0.000000 
1 1 1    8   45    0 o   66.633   4.7859  1321.46  181.993   0.0000   0.0000  1321.46  181.993   66.633   4.7859   66.633   4.7859 -0.000000 0.000000 
1 1 1    8   46    0 o   13.523   8.8888 -10.6889  175.538   0.0000   0.0000 -10.6889  175.538   13.523   8.8888   13.523   8.8888 -0.000000 0.000000 
1 1 1    8   47    0 o   51.396   6.2712  822.890  178.746   0.0000   0.0000  822.890  178.746   51.396   6.2712   51.396   6.2712 -0.000000 0.000000 
1 1 1    8   48    0 o   19.621   10.874  181.893  181.016   0.0000   0.0000  181.893  181.016   19.621   10.874   19.621   10.874 -0.000000 0.000000 
1 1 1    8   49    0 o   20.140   11.213  197.513  193.492   0.0000   0.0000  197.513  193.492   20.140   11.213   20.140   11.213 -0.000000 0.000000 
1 1 1    8   50    0 o   57.742   5.8049  1034.81  189.098   0.0000   0.0000  1034.81  189.098   57.742   5.8049   57.742   5.8049 -0.000000 0.000000 
1 1 1    8    0   -1 o  474.890   2.5106 65484.88  647.488 64132.78  1121.04 66161.73  793.165  471.167   4.1204  478.612   2.8697 -0.000000 0.000000 
1 1 1    8    1   -1 o  505.124   2.5577 73649.60  646.071 73800.75  1293.11 73599.33  745.832  505.435   4.4298  504.813   2.5581 0.6225891 5.115405 
1 1 1    8    2   -1 o  244.984   1.1452 17324.22  158.692 17292.78  204.608 17371.69  251.398  244.706   1.4477  245.262   1.7748 -0.5550995 2.290379 
1 1 1    8    3   -1 o  375.792   1.1923 40782.64  258.769 40807.02  365.974 40758.27  365.934  375.905   1.6857  375.680   1.6866 0.2245789 2.384561 
1 1 1    8    4   -1 o  460.953   1.8799 61478.89  490.272 61935.80  633.922 60798.85  773.391  463.095   2.3702  458.812   2.9186 4.282928 3.759808 
1 1 1    8    5   -1 f  286.165   1.1289 23648.70  186.572 23604.00  263.546 23693.61  264.161  285.894   1.5961  286.436   1.5968 -0.5421753 2.257749 
1 1 1    8    6   -1 o  569.070   1.8572 93528.39  604.306 93533.27  800.142 93521.91  921.989  569.093   2.4344  569.048   2.8054 0.4425049E-01 3.714382 
1 1 1    8    7   -1 o  179.435   1.3510  9325.22  123.137  9355.25  143.460  9241.19  239.991  179.988   1.3801  178.882   2.3230 1.105850 2.701998 
1 1 1    8    8   -1 o  246.275   1.4501 17604.36  164.654 17368.62  367.964 17663.38  184.115  245.234   2.5980  247.317   1.2890 -2.082443 2.900190 
1 1 1    8    9   -1 f  341.994   1.2692 33776.45  250.687 33794.65  354.532 33758.25  354.517  342.086   1.7945  341.902   1.7954 0.1842957 2.538388 
1 1 1    8   10   -1 o  256.391   1.2181 18963.33  177.068 18877.64  229.258 19090.01  278.761  255.675   1.5526  257.107   1.8773 -1.431885 2.436128 
1 1 1    8   11   -1 o  197.261   1.4048 11221.62  123.079 11212.76  135.924 11261.99  290.040  197.049   1.1944  197.473   2.5431 -0.4242859 2.809607 
1 1 1    8   12   -1 o  216.045   1.1443 13480.17  139.824 13473.99  221.377 13484.28  180.351  216.003   1.7746  216.087   1.4451 -0.8432007E-01 2.288537 
1 1 1    8   13   -1 o   62.493   1.8004  1112.19   63.657  1203.63  102.400  1054.60   81.268   64.557   2.7465   60.429   2.3285 4.127453 3.600730 
1 1 1    8   14   -1 o  382.618   1.6834 42280.21  371.991 42435.70  525.096 42123.56  527.058  383.324   2.3718  381.912   2.3895 1.412659 3.366816 
1 1 1    8   15   -1 o  222.826   1.0913 14308.34  132.099 14250.03  161.248 14427.33  230.353  222.138   1.2569  223.513   1.7845 -1.374237 2.182655 
1 1 1    8   16   -1 f  422.762   1.4347 51611.32  346.762 51648.23  529.498 51583.61  458.846  422.891   2.1680  422.632   1.8798 0.2594604 2.869461 
1 1 1    8   17   -1 o  222.389   1.4736 14426.84  160.451 14556.51  183.845 14012.36  328.681  224.513   1.4178  220.264   2.5837 4.248260 2.947173 
1 1 1    8   18   -1 o  564.972   2.4203 92201.28  789.734 91643.32  1115.31 92762.34  1118.40  563.258   3.4285  566.687   3.4172 -3.428955 4.840640 
1 1 1    8   19   -1 f  472.879   3.1441 64615.54  858.593 64994.93  1207.67 64227.78  1220.91  474.285   4.4088  471.473   4.4837 2.811920 6.288220 
1 1 1    8   20   -1 o   96.504   1.6334  2704.47   89.842  2787.96  118.907  2593.41  137.148   98.250   2.0955   94.757   2.5061 3.493134 3.266720 
1 1 1    8   21   -1 o  124.732   2.4129  4318.76  123.550  4748.88  328.302  4247.79  133.354  128.189   4.4344  121.275   1.9039 6.913582 4.825865 
1 1 1    8   22   -1 o  229.374   1.6331 15202.03  210.509 15173.55  339.233 15219.87  268.448  229.193   2.5628  229.555   2.0248 -0.3624420 3.266155 
1 1 1    8   23   -1 o  249.459   2.0390 17974.22  293.763   0.0000   0.0000 17974.22  293.763  ?   ?   249.459   2.0390      ?      ? 
1 1 1    8   24   -1 o  253.150   1.3190 18488.04  186.421 18596.01  306.087 18424.37  235.044  253.730   2.0888  252.571   1.6113 1.159531 2.638037 
1 1 1    8   25   -1 o  193.458   1.8148 10839.78  202.111 11219.96  277.979 10413.41  294.382  197.070   2.4423  189.846   2.6849 7.224121 3.629535 
1 1 1    8   26   -1 o   93.393   3.0409  2568.25  159.885  2291.18  247.913  2765.56  209.206   88.984   4.8240   97.803   3.7037 -8.819519 6.081771 
1 1 1    8   27   -1 o   83.281   2.3556  2026.69  112.088  2247.57  153.801  1776.48  163.695   88.181   3.0199   78.381   3.6161 9.800011 4.711279 
1 1 1    8   28   -1 o  236.972   1.8139 16193.13  247.872 15621.02  339.218 16848.59  363.086  232.493   2.5263  241.450   2.6037 -8.956680 3.627889 
1 1 1    8   29   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   30   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   31   -1 o  150.772   2.1249  6633.19  183.375  5934.00  268.040  7248.36  251.421  143.217   3.2406  158.327   2.7496 -15.10927 4.249848 
1 1 1    8   32   -1 o  102.732   4.3933  3058.75  260.663   0.0000   0.0000  3058.75  260.663  ?   ?   102.732   4.3933      ?      ? 
1 1 1    8   33   -1 o   52.552   8.3037  808.263  252.027   0.0000   0.0000  808.263  252.027  ?   ?    52.552   8.3037      ?      ? 
1 1 1    8   34   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   35   -1 o  187.631   2.1536 10189.58  233.296  9936.86  330.970 10439.14  328.900  185.312   3.0924  189.950   2.9981 -4.637375 4.307138 
1 1 1    8   36   -1 o  121.597   2.4855  4304.60  170.638  4171.52  269.291  4393.88  220.572  119.979   3.8862  123.214   3.0996 -3.234756 4.970948 
1 1 1    8   37   -1 o  199.215   3.2965 11492.99  379.286   0.0000   0.0000 11492.99  379.286  ?   ?   199.215   3.2965      ?      ? 
1 1 1    8   38   -1 o   41.489   11.422  532.954  282.342   0.0000   0.0000  532.954  282.342  ?   ?    41.489   11.422      ?      ? 
1 1 1    8   39   -1 o   77.491   4.2158  1756.96  186.368  1763.43  245.479  1748.17  286.343   77.735   5.4678   77.246   6.4184 0.4893112 8.431589 
1 1 1    8   40   -1 o   88.887   3.9034  2301.33  199.901  2101.60  273.416  2530.71  293.004   84.747   5.5862   93.026   5.4536 -8.279037 7.806854 
1 1 1    8   41   -1 o   52.716   5.8955  817.247  179.492   0.0000   0.0000  817.247  179.492  ?   ?    52.716   5.8955      ?      ? 
1 1 1    8   42   -1 o   66.341   5.0481  1292.49  193.419   0.0000   0.0000  1292.49  193.419  ?   ?    66.341   5.0481      ?      ? 
1 1 1    8   43   -1 o  114.766   3.1071  3880.40  205.059  4097.48  282.768  3639.60  297.810  118.268   4.1398  111.264   4.6345 7.004028 6.214181 
1 1 1    8   44   -1 o   68.456   4.2358  1335.03  156.904  1612.19  285.465  1215.05  187.818   72.932   6.7772   63.980   5.0829 8.951847 8.471507 
1 1 1    8   45   -1 o   14.398   6.9961 -283.4523  183.856   0.0000   0.0000 -283.4523  183.856  ?   ?    14.398   6.9961      ?      ? 
1 1 1    8   46   -1 o   52.315   5.4429  873.391  163.014  814.253  240.636  923.547  221.611   50.295   8.2841   54.334   7.0621 -4.038410 10.88580 
1 1 1    8   47   -1 f   69.116   3.9859  1507.33  149.320  1316.11  248.736  1615.07  186.706   64.806   6.6456   73.426   4.4028 -8.619247 7.971723 
1 1 1    8   48   -1 o   47.303   6.6212  706.585  180.889   0.0000   0.0000  706.585  180.889  ?   ?    47.303   6.6212      ?      ? 
1 1 1    8   49   -1 o   55.837   5.1920  959.118  160.135  1229.65  280.285  828.022  195.115   60.756   7.9878   50.918   6.6349 9.837578 10.38396 
1 1 1    8   50   -1 o   37.992   6.6235  539.141  196.251  -5.3792  286.983  1017.47  268.975   21.971   10.057   54.013   8.6223 -32.04258 13.24693 
1 1 1    8    0   -2 o  293.588   2.0130 24899.44  341.247 24903.34  482.151 24895.52  483.043  293.611   2.8439  293.565   2.8496 -0.000000 0.000000 
1 1 1    8    1   -2 f  366.690   1.6524 38833.59  349.943 38736.65  496.354 38929.39  493.445  366.235   2.3466  367.145   2.3271 -0.9103088 3.304869 
1 1 1    8    2   -2 o  402.811   1.5553 46775.38  341.146 47112.68  591.894 46607.59  417.460  403.891   2.5374  401.732   1.7993 2.158173 3.110610 
1 1 1    8    3   -2 o  595.051   1.9152 102250.90  651.481 102361.10  995.207 102168.30  861.794  595.326   2.8945  594.777   2.5088 0.5490723 3.830424 
1 1 1    8    4   -2 o  249.232   1.4964 17916.59  185.969 17894.57  214.353 17983.62  373.965  248.928   1.4910  249.536   2.5949 -0.6082001 2.992700 
1 1 1    8    5   -2 o  256.886   1.5565 19091.81  217.666 18956.17  376.528 19159.88  266.756  256.196   2.5447  257.577   1.7932 -1.380493 3.113048 
1 1 1    8    6   -2 o  266.311   1.0124 20491.96  154.079 20404.46  235.376 20557.57  203.816  265.813   1.5332  266.810   1.3227 -0.9968872 2.024889 
1 1 1    8    7   -2 o  241.845   1.4291 16835.38  172.153 17001.19  347.269 16781.35  198.225  242.627   2.4782  241.062   1.4238 1.565536 2.858105 
1 1 1    8    8   -2 o  209.885   1.2117 12721.52  146.882 12716.61  207.353 12726.46  208.093  209.845   1.7109  209.926   1.7164 -0.8125305E-01 2.423445 
1 1 1    8    9   -2 o  536.781   1.6239 83212.30  503.439 83039.56  712.034 83384.95  711.907  536.224   2.2992  537.339   2.2940 -1.114075 3.247841 
1 1 1    8   10   -2 o  538.165   1.7536 83643.37  539.307 83647.38  712.920 83637.99  824.604  538.184   2.2936  538.146   2.6531 0.3778076E-01 3.507124 
1 1 1    8   11   -2 o  224.727   1.1081 14560.58  140.478 14475.19  180.018 14693.55  224.643  223.886   1.3922  225.567   1.7244 -1.680496 2.216237 
1 1 1    8   12   -2 o  600.785   1.8020 104242.20  625.248 103472.70  883.979 105012.50  884.490  598.566   2.5571  603.004   2.5397 -4.437500 3.604009 
1 1 1    8   13   -2 o  255.413   1.2025 18814.91  174.110 18965.39  274.324 18713.41  225.306  256.266   1.8535  254.560   1.5325 1.705795 2.404979 
1 1 1    8   14   -2 o  417.626   1.4162 50348.57  338.066 50509.92  516.860 50227.92  446.925  418.208   2.1399  417.044   1.8555 1.164856 2.832345 
1 1 1    8   15   -2 o  224.247   1.1565 14525.21  147.425 14504.94  229.699 14539.41  192.246  224.113   1.7746  224.381   1.4835 -0.2682190 2.313019 
1 1 1    8   16   -2 o  235.614   1.5399 15996.38  177.613 15964.56  202.927 16100.59  367.228  235.120   1.4944  236.107   2.6930 -0.9869690 3.079868 
1 1 1    8   17   -2 o  329.744   1.6023 31400.84  305.136 31270.96  428.933 31533.92  434.171  329.054   2.2570  330.434   2.2750 -1.380341 3.204687 
1 1 1    8   18   -2 o  129.163   1.8824  4861.83  132.595  4953.48  163.449  4685.40  226.766  130.964   2.1610  127.363   3.0828 3.601280 3.764793 
1 1 1    8   19   -2 o  325.672   2.2225 30631.43  417.912 30850.89  599.253 30423.63  583.112  326.807   3.1749  324.538   3.1110 2.268982 4.445055 
1 1 1    8   20   -2 o  247.688   1.5984 17717.59  228.650   0.0000   0.0000 17717.59  228.650  ?   ?   247.688   1.5984      ?      ? 
1 1 1    8   21   -2 o  280.168   1.6887 22669.45  273.250   0.0000   0.0000 22669.45  273.250  ?   ?   280.168   1.6887      ?      ? 
1 1 1    8   22   -2 o  222.686   1.7624 14184.18  202.749 14636.46  388.560 14014.97  237.669  225.087   2.9890  220.284   1.8681 4.802811 3.524748 
1 1 1    8   23   -2 o   60.487   2.8931  1084.86   91.766  991.144  166.209  1125.95  110.062   58.547   4.9155   62.427   3.0527 -3.879879 5.786232 
1 1 1    8   24   -2 o   98.622   2.2725  2836.82  127.804  3010.21  171.049  2617.70  192.294  102.071   2.9016   95.172   3.4984 6.898697 4.545091 
1 1 1    8   25   -2 o  177.697   1.5311  9067.65  150.284  9304.94  254.177  8940.11  186.344  179.465   2.4523  175.930   1.8340 3.535736 3.062215 
1 1 1    8   26   -2 o   88.648   2.1046  2298.43  105.728  2434.98  139.305  2112.91  162.374   91.799   2.6275   85.498   3.2883 6.301079 4.209164 
1 1 1    8   27   -2 o  159.785   1.9360  7375.60  178.664   0.0000   0.0000  7375.60  178.664  ?   ?   159.785   1.9360      ?      ? 
1 1 1    8   28   -2 o   96.540   2.0891  2696.67  116.311  2642.69  168.095  2746.26  161.104   95.609   3.0442   97.471   2.8618 -1.861984 4.178174 
1 1 1    8   29   -2 o  107.242   4.1801  3329.30  258.903   0.0000   0.0000  3329.30  258.903  ?   ?   107.242   4.1801      ?      ? 
1 1 1    8   30   -2 o  148.118   2.0100  6339.50  171.947   0.0000   0.0000  6339.50  171.947  ?   ?   148.118   2.0100      ?      ? 
1 1 1    8   31   -2 o  195.847   2.5065 11088.44  283.508   0.0000   0.0000 11088.44  283.508  ?   ?   195.847   2.5065      ?      ? 
1 1 1    8   32   -2 o   12.660   6.3937 -742.1005  223.549   0.0000   0.0000 -742.1005  223.549  ?   ?    12.660   6.3937      ?      ? 
1 1 1    8   33   -2 o  141.624   2.5848  5799.56  211.424   0.0000   0.0000  5799.56  211.424  ?   ?   141.624   2.5848      ?      ? 
1 1 1    8   34   -2 o   81.752   5.9998  1943.98  283.283   0.0000   0.0000  1943.98  283.283  ?   ?    81.752   5.9998      ?      ? 
1 1 1    8   35   -2 f  127.689   2.7726  4712.61  202.877  4636.65  269.561  4811.85  308.109  126.530   3.6888  128.849   4.1403 -2.319702 5.545214 
1 1 1    8   36   -2 o   84.386   4.0038  2085.99  192.352  2165.25  254.478  1980.33  293.792   86.328   5.1040   82.444   6.1701 3.884087 8.007587 
1 1 1    8   37   -2 o  172.900   2.3802  8645.61  237.685   0.0000   0.0000  8645.61  237.685  ?   ?   172.900   2.3802      ?      ? 
1 1 1    8   38   -2 o   84.494   3.7730  2080.53  184.009  2152.45  259.375  2007.66  261.089   85.980   5.2233   83.009   5.4460 2.971870 7.545994 
1 1 1    8   39   -2 o   45.315   7.3398  651.494  187.137  728.263  246.274  546.600  287.872   48.784   9.0749   41.846   11.538 6.938023 14.67958 
1 1 1    8   40   -2 o   83.435   4.3707  2026.84  210.613   0.0000   0.0000  2026.84  210.613  ?   ?    83.435   4.3707      ?      ? 
1 1 1    8   41   -2 o   57.234   5.7415  962.942  181.442  728.596  237.605  1290.75  281.020   48.569   8.7944   65.900   7.3836 -17.33071 11.48298 
1 1 1    8   42   -2 o   79.988   4.3745  1871.47  202.086   0.0000   0.0000  1871.47  202.086  ?   ?    79.988   4.3745      ?      ? 
1 1 1    8   43   -2 o   85.907   3.3224  2177.13  159.051  2148.68  260.649  2194.00  200.761   85.244   5.2943   86.570   4.0154 -1.326065 6.644775 
1 1 1    8   44   -2 o   88.813   3.1816  2303.78  158.116  2427.02  260.569  2231.95  198.927   90.453   4.9879   87.173   3.9512 3.279381 6.363219 
1 1 1    8   45   -2 o   20.097   6.5907 -157.3198  181.016 -220.7901  241.184 -75.4492  273.922   18.221   8.6252   21.974   9.9678 -3.753065 13.18149 
1 1 1    8   46   -2 o  120.648   2.9334  4264.38  204.399   0.0000   0.0000  4264.38  204.399  ?   ?   120.648   2.9334      ?      ? 
1 1 1    8   47   -2 o   25.186   7.0298  165.413  147.162  237.163  239.986  122.174  186.299   27.580   10.640   22.792   9.1899 4.787382 14.05959 
1 1 1    8   48   -2 o   37.262   7.7443  527.061  178.430  562.285  241.908  485.031  264.244   38.982   10.507   35.542   11.380 3.440117 15.48855 
1 1 1    8   49   -2 o   55.883   5.1489  997.234  156.079  1079.51  274.338  957.856  189.789   56.492   8.4083   55.274   5.9451 1.218071 10.29780 
1 1 1    8   50   -2 o   66.426   4.2956  1426.98  158.593  1309.78  253.596  1502.26  203.240   63.186   6.9493   69.666   5.0513 -6.479794 8.591160 
1 1 1    8    0   -3 o  262.771   1.7931 19942.69  272.101   0.0000   0.0000 19942.69  272.101  262.771   1.7931  262.771   1.7931 -0.000000 0.000000 
1 1 1    8    1   -3 o  413.918   1.3878 49471.61  328.331 49525.95  501.888 49430.95  434.112  414.114   2.0985  413.721   1.8168 0.3929749 2.775666 
1 1 1    8    2   -3 o   51.916   1.8078  775.160   52.428  791.086   86.269  765.834   66.018   52.336   2.8541   51.496   2.2198 0.8405037 3.615673 
1 1 1    8    3   -3 o  566.655   2.0766 92830.77  640.223 93013.66  783.860 92464.27  1109.60  567.509   2.3916  565.800   3.3956 1.708740 4.153286 
1 1 1    8    4   -3 o  271.738   1.3345 21326.15  209.418 21422.16  294.339 21227.72  298.019  272.358   1.8712  271.119   1.9033 1.239136 2.669052 
1 1 1    8    5   -3 o  375.287   1.4642 40678.23  298.850 40686.82  365.591 40660.96  518.826  375.352   1.6864  375.223   2.3941 0.1287231 2.928468 
1 1 1    8    6   -3 o  210.710   1.5058 12808.24  170.893 12783.75  207.070 12860.53  302.621  210.398   1.7041  211.023   2.4830 -0.6251068 3.011550 
1 1 1    8    7   -3 o  368.593   1.6546 39236.39  352.226 39287.37  497.786 39185.27  498.459  368.833   2.3368  368.353   2.3430 0.4796448 3.309176 
1 1 1    8    8   -3 o  412.640   1.3846 49147.79  326.474 49343.50  499.851 49002.20  431.141  413.354   2.0938  411.926   1.8122 1.428345 2.769145 
1 1 1    8    9   -3 o  474.305   1.8483 64925.46  496.563 64740.04  641.874 65201.84  783.648  473.467   2.3473  475.143   2.8557 -1.675720 3.696612 
1 1 1    8   10   -3 o  443.675   2.1988 56927.66  486.787 56704.24  976.054 57001.62  561.619  443.078   3.8142  444.273   2.1888 -1.194550 4.397649 
1 1 1    8   11   -3 o  311.014   1.4904 27933.10  267.700 27757.01  376.363 28113.41  380.846  310.023   2.1020  312.007   2.1135 -1.983917 2.980799 
1 1 1    8   12   -3 f  282.351   1.3934 23022.34  227.179 22991.23  318.177 23054.68  324.476  282.156   1.9525  282.545   1.9884 -0.3887329 2.786780 
1 1 1    8   13   -3 o  119.537   1.0929  4125.45   75.414  4156.84  108.538  4096.15  104.859  119.976   1.5664  119.097   1.5245 0.8789902 2.185777 
1 1 1    8   14   -3 o  280.643   1.3731 22744.94  222.555 22798.98  316.206 22691.88  313.296  280.973   1.9486  280.313   1.9352 0.6606140 2.746270 
1 1 1    8   15   -3 o  364.551   1.5551 38367.04  321.777 38455.01  504.323 38306.63  417.890  364.900   2.3930  364.202   1.9867 0.6982117 3.110246 
1 1 1    8   16   -3 o  181.658   1.5672  9535.32  154.928  9545.22  189.691  9515.48  268.501  181.803   1.8066  181.512   2.5613 0.2900238 3.134302 
1 1 1    8   17   -3 o  363.564   1.7474 38173.96  366.902 37944.07  517.178 38406.89  520.595  362.462   2.4705  364.666   2.4718 -2.203796 3.494790 
1 1 1    8   18   -3 o  736.713   4.5470 156904.50  1934.66 156370.70  2734.69 157439.41  2737.35  735.457   6.4382  737.968   6.4226 -2.510864 9.093944 
1 1 1    8   19   -3 o  445.065   2.5104 57376.89  607.404 57682.14  743.745 56765.55  1052.53  446.877   2.8817  443.254   4.1115 3.622986 5.020806 
1 1 1    8   20   -3 f  339.137   1.8926 33116.71  353.402 33565.59  600.170 32878.46  437.242  340.878   3.0485  337.396   2.2439 3.481842 3.785296 
1 1 1    8   21   -3 o  261.174   1.6258 19732.67  212.477 19640.30  424.127 19763.62  245.507  260.751   2.8163  261.597   1.6250 -0.8457031 3.251505 
1 1 1    8   22   -3 o  511.944   3.2355 75775.58  955.777 76152.57  1325.44 75367.18  1379.53  513.282   4.4711  510.606   4.6780 2.676880 6.471067 
1 1 1    8   23   -3 o  248.650   2.1350 17866.72  305.368 17821.61  452.340 17904.49  413.925  248.356   3.1536  248.944   2.8790 -0.5884247 4.270071 
1 1 1    8   24   -3 o  130.327   2.2708  4820.76  169.189  4310.21  220.912  5545.05  263.123  122.132   3.1319  138.522   3.2889 -16.38991 4.541551 
1 1 1    8   25   -3 o  209.044   1.5816 12592.61  185.695 12757.98  300.798 12490.78  236.045  210.140   2.4785  207.947   1.9654 2.193832 3.163169 
1 1 1    8   26   -3 o  284.934   1.8713 23389.85  288.309 23262.25  350.278 23657.88  507.660  283.764   2.1373  286.103   3.0723 -2.339203 3.742619 
1 1 1    8   27   -3 o  150.923   1.6486  6548.34  139.178  6712.96  228.482  6451.23  175.494  152.413   2.5956  149.433   2.0334 2.980103 3.297292 
1 1 1    8   28   -3 o  238.779   1.7955 16529.39  228.520 16612.90  274.969 16342.92  410.892  239.794   1.9855  237.764   2.9922 2.030457 3.591036 
1 1 1    8   29   -3 o  157.483   2.0135  7194.20  175.926  7257.97  220.615  7082.82  291.556  158.471   2.4105  156.495   3.2258 1.975418 4.026918 
1 1 1    8   30   -3 o   44.155   4.3190  565.425  109.802  629.904  158.756  506.294  152.030   46.573   5.9022   41.737   6.3070 4.835640 8.637942 
1 1 1    8   31   -3 o  194.570   1.5831 10943.57  174.402 10933.83  275.216 10950.11  225.446  194.480   2.4503  194.659   2.0053 -0.1792297 3.166235 
1 1 1    8   32   -3 o   78.738   2.6946  1801.01  122.130  1666.23  174.987  1929.03  170.535   75.846   3.9948   81.630   3.6172 -5.784592 5.389118 
1 1 1    8   33   -3 o  127.560   1.6526  4699.24  114.121  4717.04  200.096  4690.67  138.932  127.715   2.7128  127.405   1.8881 0.3100739 3.305153 
1 1 1    8   34   -3 o   94.278   3.4152  2572.79  185.959   0.0000   0.0000  2572.79  185.959  ?   ?    94.278   3.4152      ?      ? 
1 1 1    8   35   -3 o   89.959   3.3238  2342.48  172.689   0.0000   0.0000  2342.48  172.689  ?   ?    89.959   3.3238      ?      ? 
1 1 1    8   36   -3 o  213.415   2.1965 13167.52  270.730   0.0000   0.0000 13167.52  270.730  ?   ?   213.415   2.1965      ?      ? 
1 1 1    8   37   -3 o  137.570   2.9002  5477.44  230.425   0.0000   0.0000  5477.44  230.425  ?   ?   137.570   2.9002      ?      ? 
1 1 1    8   38   -3 o   52.842   5.2869  825.807  156.679  795.711  251.111  844.992  200.493   51.934   8.3720   53.749   6.4587 -1.814857 10.57374 
1 1 1    8   39   -3 o  109.971   3.4941  3507.85  221.923   0.0000   0.0000  3507.85  221.923  ?   ?   109.971   3.4941      ?      ? 
1 1 1    8   40   -3 o   82.275   4.1983  1969.96  199.493   0.0000   0.0000  1969.96  199.493  ?   ?    82.275   4.1983      ?      ? 
1 1 1    8   41   -3 o   62.851   5.7412  1161.38  208.400   0.0000   0.0000  1161.38  208.400  ?   ?    62.851   5.7412      ?      ? 
1 1 1    8   42   -3 o   76.263   4.3658  1701.62  192.290   0.0000   0.0000  1701.62  192.290  ?   ?    76.263   4.3658      ?      ? 
1 1 1    8   43   -3 o   76.797   4.2965  1730.71  190.566   0.0000   0.0000  1730.71  190.566  ?   ?    76.797   4.2965      ?      ? 
1 1 1    8   44   -3 o   60.208   5.7413  1085.53  199.642   0.0000   0.0000  1085.53  199.642  ?   ?    60.208   5.7413      ?      ? 
1 1 1    8   45   -3 o   68.641   5.0171  1409.16  198.895   0.0000   0.0000  1409.16  198.895  ?   ?    68.641   5.0171      ?      ? 
1 1 1    8   46   -3 o   51.714   5.7254  926.686  152.662  641.915  242.765  1112.96  196.343   42.962   9.9754   60.466   5.6223 -17.50415 11.45071 
1 1 1    8   47   -3 o   40.976   7.2060  602.146  169.889  585.153  240.800  618.989  239.722   40.290   10.307   41.662   10.074 -1.371761 14.41206 
1 1 1    8   48   -3 o   49.363   6.6722  854.739  184.717  1294.19  271.957  478.379  251.679   63.255   7.4443   35.471   11.075 27.78402 13.34442 
1 1 1    8   49   -3 o   38.616   6.9632  568.851  152.078  488.294  270.030  606.271  184.041   34.887   11.528   42.345   7.8133 -7.457657 13.92638 
1 1 1    8   50   -3 o   60.719   5.1177  1220.37  179.195  1153.40  245.455  1296.81  262.216   58.975   7.2064   62.464   7.2685 -3.489273 10.23541 
1 1 1    8    0   -4 o  417.965   2.6079 50466.01  629.410 50619.89  887.921 50310.59  892.336  418.607   3.6733  417.324   3.7029 -0.000000 0.000000 
1 1 1    8    1   -4 o  132.687   1.0919  5083.71   82.104  5087.43  129.272  5081.19  106.296  132.727   1.6864  132.647   1.3875 0.8029175E-01 2.183819 
1 1 1    8    2   -4 o  403.927   1.7761 47120.88  414.335 47188.80  584.773 47052.40  587.151  404.219   2.5049  403.634   2.5187 0.5848999 3.552209 
1 1 1    8    3   -4 o   48.409   2.3878  665.787   63.980  639.831   79.103  714.892  108.800   47.068   2.9100   49.749   3.7867 -2.681744 4.775621 
1 1 1    8    4   -4 o  234.035   1.0220 15814.17  138.119 15474.48  193.917 16163.93  196.774  231.485   1.4505  236.585   1.4401 -5.100662 2.043957 
1 1 1    8    5   -4 o  602.964   2.2974 105147.50  783.809 104295.90  1237.05 105718.60  1013.13  600.910   3.5645  605.017   2.8994 -4.106445 4.594780 
1 1 1    8    6   -4 o  820.475   2.7682 194442.30  1311.73 193415.70  1851.84 195476.20  1858.30  818.302   3.9184  822.649   3.9112 -4.347595 5.536374 
1 1 1    8    7   -4 o  176.951   1.1836  9041.11  120.947  9204.28  172.110  8881.91  169.999  178.529   1.6692  175.374   1.6784 3.154297 2.367131 
1 1 1    8    8   -4 o  374.056   1.5308 40373.14  323.995 40237.74  417.860 40577.27  513.045  373.273   1.9383  374.839   2.3699 -1.566040 3.061586 
1 1 1    8    9   -4 o  371.797   1.5721 40011.37  329.875 40352.77  424.598 39491.54  523.934  373.806   1.9667  369.789   2.4532 4.016754 3.144261 
1 1 1    8   10   -4 o   78.118   2.0415  1746.81   84.639  1723.39  101.036  1801.92  154.986   77.250   2.2646   78.986   3.3975 -1.736298 4.083055 
1 1 1    8   11   -4 o  308.625   1.3719 27519.59  239.128 27447.24  380.052 27567.00  307.660  308.287   2.1345  308.963   1.7242 -0.6757507 2.743896 
1 1 1    8   12   -4 o   81.401   1.7914  1910.84   84.079  1760.02  116.687  2073.71  121.255   78.065   2.5881   84.737   2.4777 -6.672020 3.582875 
1 1 1    8   13   -4 o  549.759   1.9139 87286.15  607.681 86423.46  857.296 88157.31  861.500  547.029   2.7135  552.489   2.6999 -5.460388 3.827883 
1 1 1    8   14   -4 o  340.195   1.9061 33422.65  374.508   0.0000   0.0000 33422.65  374.508  ?   ?   340.195   1.9061      ?      ? 
1 1 1    8   15   -4 f  390.866   1.8695 44127.60  421.983 44639.04  595.429 43611.51  598.128  393.142   2.6224  388.590   2.6651 4.552032 3.738953 
1 1 1    8   16   -4 o  437.495   2.3557 55116.53  561.571 54779.94  687.227 55793.00  974.245  435.508   2.7322  439.481   3.8383 -3.972443 4.711469 
1 1 1    8   17   -4 o  846.391   4.1862 207869.50  1767.16 208681.00  2039.80 205428.00  3538.19  849.904   4.1556  842.879   7.2683 7.025269 8.372361 
1 1 1    8   18   -4 o  292.072   1.6798 24518.37  245.851 24398.65  283.810 24878.29  492.088  290.662   1.6907  293.482   2.9032 -2.820190 3.359590 
1 1 1    8   19   -4 o  196.954   1.5453 11210.96  166.945 11179.59  284.661 11227.40  206.112  196.740   2.5052  197.169   1.8100 -0.4296112 3.090688 
1 1 1    8   20   -4 o  129.622   2.0098  4810.19  144.240  5003.17  243.432  4705.78  179.057  131.602   3.2028  127.641   2.4289 3.960846 4.019650 
1 1 1    8   21   -4 o   49.800   5.4853  717.094  157.767  717.094  157.767   0.0000   0.0000   49.800   5.4853  ?   ?       ?      ? 
1 1 1    8   22   -4 o  163.526   2.2611  7723.98  213.549  7723.98  213.549   0.0000   0.0000  163.526   2.2611  ?   ?       ?      ? 
1 1 1    8   23   -4 o  340.940   2.3020 33607.38  452.968 32316.06  642.449 34883.89  638.754  334.419   3.3263  347.461   3.1830 -13.04199 4.603925 
1 1 1    8   24   -4 o  153.286   2.1447  6763.27  189.479  6374.53  258.118  7217.54  279.029  148.529   3.0090  158.044   3.0569 -9.514862 4.289404 
1 1 1    8   25   -4 o  198.944   1.9127 11432.63  219.762 11432.63  219.762   0.0000   0.0000  198.944   1.9127  ?   ?       ?      ? 
1 1 1    8   26   -4 o  195.559   1.7096 11066.88  182.035 11101.44  223.111 10998.07  314.827  196.034   1.9706  195.083   2.7943 0.9510803 3.419243 
1 1 1    8   27   -4 o  292.139   2.0725 24656.98  349.681 24656.98  349.681   0.0000   0.0000  292.139   2.0725  ?   ?       ?      ? 
1 1 1    8   28   -4 o   88.793   2.8306  2279.05  145.158   0.0000   0.0000  2279.05  145.158  ?   ?    88.793   2.8306      ?      ? 
1 1 1    8   29   -4 o   53.263   4.2985  821.465  132.228   0.0000   0.0000  821.465  132.228  ?   ?    53.263   4.2985      ?      ? 
1 1 1    8   30   -4 o  177.038   1.6379  9066.31  162.016  9029.32  264.840  9088.43  204.812  176.729   2.5947  177.346   1.9996 -0.6178741 3.275834 
1 1 1    8   31   -4 o   88.418   2.4863  2278.57  124.622  2174.50  193.449  2352.40  162.936   86.659   3.8652   90.176   3.1285 -3.517227 4.972634 
1 1 1    8   32   -4 o  142.308   1.7450  5828.15  139.001  5962.47  227.651  5748.31  175.517  143.589   2.7451  141.026   2.1549 2.563263 3.489916 
1 1 1    8   33   -4 o  153.075   2.1695  6772.78  191.796   0.0000   0.0000  6772.78  191.796  ?   ?   153.075   2.1695      ?      ? 
1 1 1    8   34   -4 o   88.238   3.7221  2254.76  189.684   0.0000   0.0000  2254.76  189.684  ?   ?    88.238   3.7221      ?      ? 
1 1 1    8   35   -4 o  168.336   1.6039  8130.40  143.581  8350.31  261.682  8035.68  171.742  169.916   2.6666  166.756   1.7832 3.160004 3.207893 
1 1 1    8   36   -4 o  207.059   2.3089 12396.65  276.115   0.0000   0.0000 12396.65  276.115  ?   ?   207.059   2.3089      ?      ? 
1 1 1    8   37   -4 o   83.390   3.2935  2014.04  158.620   0.0000   0.0000  2014.04  158.620  ?   ?    83.390   3.2935      ?      ? 
1 1 1    8   38   -4 o   94.838   3.0711  2605.03  168.215   0.0000   0.0000  2605.03  168.215  ?   ?    94.838   3.0711      ?      ? 
1 1 1    8   39   -4 o   66.604   4.9604  1292.83  190.811   0.0000   0.0000  1292.83  190.811  ?   ?    66.604   4.9604      ?      ? 
1 1 1    8   40   -4 o   66.210   5.2463  1353.02  189.417  1513.00  241.417  1096.81  305.514   71.832   5.8192   60.587   8.7310 11.24523 10.49256 
1 1 1    8   41   -4 o  108.927   3.2936  3447.37  207.201   0.0000   0.0000  3447.37  207.201  ?   ?   108.927   3.2936      ?      ? 
1 1 1    8   42   -4 o  133.431   2.9465  5173.14  227.062   0.0000   0.0000  5173.14  227.062  ?   ?   133.431   2.9465      ?      ? 
1 1 1    8   43   -4 o   18.949   8.4327 -47.3932  185.836   0.0000   0.0000 -47.3932  185.836  ?   ?    18.949   8.4327      ?      ? 
1 1 1    8   44   -4 o   53.313   6.0872  856.084  187.430   0.0000   0.0000  856.084  187.430  ?   ?    53.313   6.0872      ?      ? 
1 1 1    8   45   -4 o   50.755   5.9586  782.426  174.666   0.0000   0.0000  782.426  174.666  ?   ?    50.755   5.9586      ?      ? 
1 1 1    8   46   -4 o   32.284   9.3856  358.592  185.466   0.0000   0.0000  358.592  185.466  ?   ?    32.284   9.3856      ?      ? 
1 1 1    8   47   -4 o   81.831   3.6607  1985.21  173.010   0.0000   0.0000  1985.21  173.010  ?   ?    81.831   3.6607      ?      ? 
1 1 1    8   48   -4 o   24.994   7.1271  112.194  180.006 -166.0900  268.871  338.242  242.327   19.525   9.2010   30.463   10.887 -10.93848 14.25413 
1 1 1    8   49   -4 o   19.417   6.3150 -80.3780  165.447 -186.3504  236.850   20.604  231.206   17.741   8.4412   21.092   9.3947 -3.351387 12.62990 
1 1 1    8   50   -4 o   73.043   4.4424  1708.19  185.524  1649.37  244.303  1788.32  285.147   72.042   5.8716   74.043   6.6681 -2.000397 8.884753 
1 1 1    8    0   -5 o  128.830   1.5822  4812.78  109.461  4839.78  132.633  4755.10  193.836  129.422   1.7752  128.238   2.6196 -0.000000 0.000000 
1 1 1    8    1   -5 o  314.721   1.7492 28606.87  300.140 28602.22  518.512 28609.21  368.073  314.696   2.8529  314.746   2.0248 -0.4940796E-01 3.498398 
1 1 1    8    2   -5 o  298.251   1.3144 25665.01  221.567 25804.72  352.027 25573.35  285.128  298.921   2.0391  297.582   1.6590 1.339569 2.628717 
1 1 1    8    3   -5 o  345.666   1.2159 34476.91  240.248 34306.22  317.460 34705.70  367.539  344.667   1.5948  346.665   1.8357 -1.998505 2.431719 
1 1 1    8    4   -5 o  476.227   2.0076 65499.91  552.176 65256.96  780.332 65743.56  781.459  475.342   2.8424  477.112   2.8360 -1.769073 4.015225 
1 1 1    8    5   -5 o  114.256   1.1811  3778.75   75.012  3802.74   94.231  3737.26  123.937  114.753   1.4218  113.759   1.8864 0.9936371 2.362197 
1 1 1    8    6   -5 o  478.574   2.0683 66148.39  571.672 65643.24  808.380 66653.75  808.554  476.746   2.9359  480.402   2.9142 -3.655975 4.136678 
1 1 1    8    7   -5 o  525.315   2.6668 79667.45  763.822 79824.84  1320.14 79588.23  936.497  525.686   4.3482  524.945   3.0889 0.7406616 5.333674 
1 1 1    8    8   -5 o  574.807   2.1502 95491.90  672.844 95625.53  824.177 95224.87  1165.07  575.424   2.4800  574.190   3.5133 1.234802 4.300397 
1 1 1    8    9   -5 o  368.530   1.2752 39207.63  268.916 39120.08  356.737 39322.85  409.258  368.055   1.6782  369.005   1.9203 -0.9501038 2.550330 
1 1 1    8   10   -5 o  172.589   1.0643  8609.57  104.603  8556.02  161.811  8648.02  137.103  172.127   1.6277  173.051   1.3718 -0.9239807 2.128663 
1 1 1    8   11   -5 o  137.188   1.5971  5438.21  116.712  5442.81  140.208  5427.82  210.617  137.285   1.7683  137.091   2.6601 0.1936798 3.194241 
1 1 1    8   12   -5 o  456.903   1.8262 60244.06  471.076 60068.76  605.038 60513.89  750.677  456.065   2.2970  457.741   2.8395 -1.675690 3.652319 
1 1 1    8   13   -5 o  121.596   2.0278  4253.05  141.520  4419.26  214.044  4123.95  188.634  123.698   2.9961  119.495   2.7333 4.202774 4.055544 
1 1 1    8   14   -5 o  669.042   3.5973 129572.30  1304.27 130042.60  1591.51 128610.40  2276.03  670.954   4.1071  667.130   5.9072 3.823914 7.194640 
1 1 1    8   15   -5 o  170.736   1.6869  8355.96  149.008  8278.56  174.938  8560.56  284.415  169.311   1.7890  172.161   2.8604 -2.850266 3.373819 
1 1 1    8   16   -5 o  238.660   1.6854 16479.90  221.808 16550.51  275.717 16350.37  373.424  239.391   1.9942  237.929   2.7175 1.461502 3.370705 
1 1 1    8   17   -5 o  449.708   2.3725 58409.09  616.196 58409.09  616.196   0.0000   0.0000  449.708   2.3725  ?   ?       ?      ? 
1 1 1    8   18   -5 o  688.750   3.5332 137037.30  1405.45   0.0000   0.0000 137037.30  1405.45  ?   ?   688.750   3.5332      ?      ? 
1 1 1    8   19   -5 o  247.373   1.5738 17661.45  214.536 17715.22  362.737 17632.53  266.058  247.656   2.5361  247.089   1.8644 0.5663910 3.147619 
1 1 1    8   20   -5 o   94.694   2.4512  2531.44  127.249  2776.00  221.948  2411.69  155.310   98.017   3.9207   91.371   2.9431 6.645874 4.902423 
1 1 1    8   21   -5 o  106.232   2.0148  3259.47  123.615   0.0000   0.0000  3259.47  123.615  ?   ?   106.232   2.0148      ?      ? 
1 1 1    8   22   -5 o  343.623   2.2564 34104.93  447.537 34410.82  645.421 33821.65  621.104  345.104   3.2382  342.142   3.1432 2.961639 4.512857 
1 1 1    8   23   -5 o  293.848   2.1415 24941.55  363.438   0.0000   0.0000 24941.55  363.438  ?   ?   293.848   2.1415      ?      ? 
1 1 1    8   24   -5 o   29.564   9.4555  248.088  182.464   0.0000   0.0000  248.088  182.464  ?   ?    29.564   9.4555      ?      ? 
1 1 1    8   25   -5 o   84.181   2.5750  2047.51  125.193   0.0000   0.0000  2047.51  125.193  ?   ?    84.181   2.5750      ?      ? 
1 1 1    8   26   -5 o  169.751   2.2152  8301.58  212.482  8461.50  338.915  8198.01  272.741  171.077   3.4301  168.425   2.8039 2.652145 4.430304 
1 1 1    8   27   -5 o  228.165   1.9629 15046.66  258.657 15052.11  366.318 15041.25  365.277  228.206   2.7794  228.124   2.7725 0.8181763E-01 3.925738 
1 1 1    8   28   -5 o  120.437   2.4677  4192.07  171.650  4192.07  171.650   0.0000   0.0000  120.437   2.4677  ?   ?       ?      ? 
1 1 1    8   29   -5 o  152.600   1.7704  6727.75  156.033   0.0000   0.0000  6727.75  156.033  ?   ?   152.600   1.7704      ?      ? 
1 1 1    8   30   -5 o  209.268   1.5638 12734.93  172.566 12464.56  315.402 12850.45  206.160  207.637   2.6301  210.899   1.6926 -3.262451 3.127659 
1 1 1    8   31   -5 o   50.100   4.4105  727.433  127.619   0.0000   0.0000  727.433  127.619  ?   ?    50.100   4.4105      ?      ? 
1 1 1    8   32   -5 o   72.195   3.9351  1502.37  152.325  1482.82  183.413  1545.85  273.466   71.522   4.4402   72.868   6.4980 -1.346443 7.870166 
1 1 1    8   33   -5 o  112.457   2.4290  3656.28  157.763   0.0000   0.0000  3656.28  157.763  ?   ?   112.457   2.4290      ?      ? 
1 1 1    8   34   -5 o  350.376   2.0816 35494.82  407.463 35592.19  667.345 35436.94  514.500  350.680   3.2950  350.073   2.5447 0.6067505 4.163247 
1 1 1    8   35   -5 o  208.432   2.1666 12558.60  260.816   0.0000   0.0000 12558.60  260.816  ?   ?   208.432   2.1666      ?      ? 
1 1 1    8   36   -5 o   73.516   3.7749  1566.23  160.278   0.0000   0.0000  1566.23  160.278  ?   ?    73.516   3.7749      ?      ? 
1 1 1    8   37   -5 o   49.514   4.8957  720.328  138.875  692.746  207.690  742.633  186.771   48.606   7.3984   50.421   6.4137 -1.814732 9.791413 
1 1 1    8   38   -5 o   97.812   3.1189  2771.50  176.186  2771.50  176.186   0.0000   0.0000   97.812   3.1189  ?   ?       ?      ? 
1 1 1    8   39   -5 o   20.799   8.1190   80.571  140.992   0.0000   0.0000   80.571  140.992  ?   ?    20.799   8.1190      ?      ? 
1 1 1    8   40   -5 o  142.294   2.5267  5883.64  207.218  5902.58  284.310  5862.19  302.650  142.567   3.4529  142.022   3.6898 0.5451965 5.053439 
1 1 1    8   41   -5 o   62.334   5.5734  1142.68  200.646   0.0000   0.0000  1142.68  200.646  ?   ?    62.334   5.5734      ?      ? 
1 1 1    8   42   -5 o   46.550   5.8958  705.506  145.066  546.745  238.216  799.085  182.889   41.211   10.090   51.888   6.1028 -10.67684 11.79169 
1 1 1    8   43   -5 o   67.104   5.0304  1331.48  194.956   0.0000   0.0000  1331.48  194.956  ?   ?    67.104   5.0304      ?      ? 
1 1 1    8   44   -5 o  103.838   3.1688  3151.52  190.038   0.0000   0.0000  3151.52  190.038  ?   ?   103.838   3.1688      ?      ? 
1 1 1    8   45   -5 o   26.464   9.8771  204.665  202.714   0.0000   0.0000  204.665  202.714  ?   ?    26.464   9.8771      ?      ? 
1 1 1    8   46   -5 f  100.947   3.4181  3004.26  199.280   0.0000   0.0000  3004.26  199.280  ?   ?   100.947   3.4181      ?      ? 
1 1 1    8   47   -5 o   19.887   8.5835   33.617  179.848   0.0000   0.0000   33.617  179.848  ?   ?    19.887   8.5835      ?      ? 
1 1 1    8   48   -5 o   42.551   7.6797  603.031  181.787   0.0000   0.0000  603.031  181.787  ?   ?    42.551   7.6797      ?      ? 
1 1 1    8   49   -5 o   44.365   7.1659  642.851  183.610   0.0000   0.0000  642.851  183.610  ?   ?    44.365   7.1659      ?      ? 
1 1 1    8   50   -5 o   54.644   5.8803  1030.42  177.209  1323.72  264.361  791.077  238.806   62.905   7.2765   46.382   9.2393 16.52322 11.76065 
1 1 1    8    0   -6 o  722.328   3.7678 150653.70  1480.06 150505.59  1810.27 150952.41  2570.46  721.841   4.3426  722.815   6.1584 -0.000000 0.000000 
1 1 1    8    1   -6 o  412.806   1.7879 49215.14  426.249 48757.81  602.498 49673.41  603.117  410.886   2.5389  414.726   2.5180 -3.840332 3.575808 
1 1 1    8    2   -6 o  438.702   1.7569 55736.93  435.823 54813.72  687.710 56356.55  563.404  435.653   2.7333  441.751   2.2083 -6.097961 3.513862 
1 1 1    8    3   -6 o  270.581   1.6376 21143.07  255.914 21143.07  255.914   0.0000   0.0000  270.581   1.6376  ?   ?       ?      ? 
1 1 1    8    4   -6 o  441.390   1.7635 56182.62  440.924 55844.18  569.565 56688.77  696.549  439.738   2.2427  443.042   2.7222 -3.304321 3.527034 
1 1 1    8    5   -6 o  140.893   1.3798  5732.52  112.281  5732.52  112.281   0.0000   0.0000  140.893   1.3798  ?   ?       ?      ? 
1 1 1    8    6   -6 o  202.018   1.4647 11838.43  144.740 11884.99  165.562 11687.46  298.128  202.869   1.4131  201.168   2.5660 1.700272 2.929355 
1 1 1    8    7   -6 o  315.740   1.2420 28790.94  226.466 28623.03  321.252 28956.81  319.299  314.825   1.7668  316.656   1.7459 -1.830475 2.483925 
1 1 1    8    8   -6 o  112.247   1.2290  3644.50   79.045  3688.01  105.727  3589.36  119.025  113.008   1.6199  111.486   1.8486 1.522446 2.457899 
1 1 1    8    9   -6 o  465.596   1.7527 62546.60  443.880 62783.34  771.181 62429.31  542.812  466.247   2.8639  464.946   2.0214 1.301056 3.505433 
1 1 1    8   10   -6 o  551.498   1.9543 87838.98  622.428 88003.13  885.874 87678.93  874.724  552.006   2.7787  550.989   2.7488 1.016968 3.908594 
1 1 1    8   11   -6 o  413.985   1.5035 49495.95  359.471 49696.01  507.085 49293.84  509.662  414.826   2.1165  413.144   2.1360 1.682190 3.007019 
1 1 1    8   12   -6 o  296.029   1.9004 25360.82  304.636 25458.19  371.475 25160.87  532.338  296.905   2.1663  295.153   3.1229 1.752289 3.800709 
1 1 1    8   13   -6 o  391.744   1.6896 44402.94  373.768 44717.06  481.469 43926.50  592.951  393.496   2.1186  389.993   2.6326 3.503021 3.379150 
1 1 1    8   14   -6 o  165.677   1.3664  7926.35  130.735  8064.69  185.761  7790.59  184.026  167.109   1.9247  164.244   1.9400 2.864487 2.732803 
1 1 1    8   15   -6 o  424.855   2.1675 51882.97  461.566 51630.08  532.897 52642.47  923.514  422.815   2.1823  426.895   3.7457 -4.080139 4.335069 
1 1 1    8   16   -6 o  263.241   1.9781 20012.72  300.743 20012.72  300.743   0.0000   0.0000  263.241   1.9781  ?   ?       ?      ? 
1 1 1    8   17   -6 o  509.380   2.7392 75204.77  755.152 75669.57  920.928 74250.85  1319.33  511.828   3.1154  506.932   4.5063 4.895935 5.478347 
1 1 1    8   18   -6 f  229.492   1.7944 15210.18  237.839 15210.18  237.839   0.0000   0.0000  229.492   1.7944  ?   ?       ?      ? 
1 1 1    8   19   -6 o  398.723   2.8197 45922.25  649.326   0.0000   0.0000 45922.25  649.326  ?   ?   398.723   2.8197      ?      ? 
1 1 1    8   20   -6 o  174.615   1.6966  8845.72  158.673  8702.59  282.478  8911.70  191.790  173.570   2.8179  175.659   1.8905 -2.088898 3.393287 
1 1 1    8   21   -6 o  262.043   2.0867 19833.16  315.808   0.0000   0.0000 19833.16  315.808  ?   ?   262.043   2.0867      ?      ? 
1 1 1    8   22   -6 o  128.392   1.7315  4758.47  126.030  4779.68  198.370  4744.11  163.200  128.628   2.6703  128.156   2.2049 0.4712982 3.462952 
1 1 1    8   23   -6 o  224.944   1.6228 14663.75  185.462 14518.17  361.230 14715.86  216.122  224.165   2.7902  225.723   1.6578 -1.558456 3.245526 
1 1 1    8   24   -6 o  130.505   1.5069  4919.07  113.578   0.0000   0.0000  4919.07  113.578  ?   ?   130.505   1.5069      ?      ? 
1 1 1    8   25   -6 o  159.387   2.2061  7339.23  203.079  7339.23  203.079   0.0000   0.0000  159.387   2.2061  ?   ?       ?      ? 
1 1 1    8   26   -6 o  208.051   1.4136 12513.78  169.730 12919.66  238.430 12096.79  241.673  211.476   1.9522  204.627   2.0449 6.849365 2.827133 
1 1 1    8   27   -6 o  241.531   2.0256 16860.35  282.398 16786.11  392.397 16940.11  406.731  240.984   2.8194  242.079   2.9091 -1.095337 4.051169 
1 1 1    8   28   -6 o  289.062   2.1562 24126.28  359.160 23680.37  489.760 24645.10  528.284  286.187   2.9631  291.937   3.1332 -5.750275 4.312444 
1 1 1    8   29   -6 o  308.315   1.9249 27448.27  331.809 27618.63  542.914 27346.70  419.212  309.033   3.0419  307.598   2.3598 1.435211 3.849860 
1 1 1    8   30   -6 o  165.152   1.6965  7855.67  158.683  8028.21  251.554  7741.65  204.504  166.637   2.6138  163.667   2.1635 2.970215 3.393040 
1 1 1    8   31   -6 f  107.762   3.1153  3359.55  193.887   0.0000   0.0000  3359.55  193.887  ?   ?   107.762   3.1153      ?      ? 
1 1 1    8   32   -6 o  139.774   2.3516  5641.89  181.295  5613.62  224.913  5694.33  306.332  139.320   2.7952  140.229   3.7824 -0.9092407 4.703189 
1 1 1    8   33   -6 o  147.373   2.0517  6291.80  174.368  6547.11  243.494  6023.07  249.814  150.455   2.8022  144.292   2.9977 6.163284 4.103482 
1 1 1    8   34   -6 o  138.858   2.4002  5574.74  192.484   0.0000   0.0000  5574.74  192.484  ?   ?   138.858   2.4002      ?      ? 
1 1 1    8   35   -6 o  143.171   2.4198  5927.22  200.087   0.0000   0.0000  5927.22  200.087  ?   ?   143.171   2.4198      ?      ? 
1 1 1    8   36   -6 o   92.823   2.8369  2493.22  152.086   0.0000   0.0000  2493.22  152.086  ?   ?    92.823   2.8369      ?      ? 
1 1 1    8   37   -6 o  175.203   2.2191  8846.06  219.619  8685.75  281.370  9096.00  351.329  173.231   2.8123  177.175   3.4334 -3.944077 4.438182 
1 1 1    8   38   -6 o  151.927   2.0475  6684.17  179.602  6693.15  257.266  6675.64  250.846  152.021   2.9302  151.833   2.8606 0.1885834 4.094984 
1 1 1    8   39   -6 o  202.570   1.9111 11960.91  215.632 11591.41  352.570 12181.71  272.550  199.972   3.0527  205.168   2.3001 -5.196014 3.822279 
1 1 1    8   40   -6 o  103.921   2.3487  3097.97  137.149  3296.13  224.263  2979.57  173.343  106.485   3.6466  101.356   2.9612 5.128716 4.697464 
1 1 1    8   41   -6 o   70.502   3.3753  1445.54  137.434   0.0000   0.0000  1445.54  137.434  ?   ?    70.502   3.3753      ?      ? 
1 1 1    8   42   -6 o   94.189   2.7566  2577.13  149.951   0.0000   0.0000  2577.13  149.951  ?   ?    94.189   2.7566      ?      ? 
1 1 1    8   43   -6 o   86.366   3.5508  2248.58  171.419  2397.03  221.249  2025.64  271.132   90.301   4.2423   82.430   5.6952 7.871185 7.101595 
1 1 1    8   44   -6 o   52.374   6.9784  841.279  211.083   0.0000   0.0000  841.279  211.083  ?   ?    52.374   6.9784      ?      ? 
1 1 1    8   45   -6 o   88.840   4.1717  2341.45  214.048   0.0000   0.0000  2341.45  214.048  ?   ?    88.840   4.1717      ?      ? 
1 1 1    8   46   -6 o   40.936   10.591  603.674  252.302   0.0000   0.0000  603.674  252.302  ?   ?    40.936   10.591      ?      ? 
1 1 1    8   47   -6 o   61.752   5.3518  1166.06  190.869   0.0000   0.0000  1166.06  190.869  ?   ?    61.752   5.3518      ?      ? 
1 1 1    8   48   -6 o   57.838   4.9151  1019.44  164.183   0.0000   0.0000  1019.44  164.183  ?   ?    57.838   4.9151      ?      ? 
1 1 1    8   49   -6 o   28.262   9.6010  291.803  187.162   0.0000   0.0000  291.803  187.162  ?   ?    28.262   9.6010      ?      ? 
1 1 1    8   50   -6 o   46.592   7.0330  722.710  189.250   0.0000   0.0000  722.710  189.250  ?   ?    46.592   7.0330      ?      ? 
1 1 1    8    0   -7 o  429.226   2.6754 53224.62  662.816 53361.86  924.242 53079.30  951.060  429.798   3.7240  428.654   3.8423 -0.000000 0.000000 
1 1 1    8    1   -7 o  360.183   1.6110 37466.36  335.124 37181.66  473.774 37751.46  474.100  358.813   2.2862  361.552   2.2705 -2.739105 3.222075 
1 1 1    8    2   -7 f   66.228   2.2764  1309.81   73.362  1186.98  148.864  1349.21   84.312   64.105   4.0208   68.351   2.1358 -4.246544 4.552876 
1 1 1    8    3   -7 o  172.252   0.9921  8569.11   98.683  8492.48  140.137  8644.49  138.989  171.488   1.4149  173.016   1.3909 -1.528091 1.984126 
1 1 1    8    4   -7 o  611.857   2.6350 108122.20  930.869 107776.50  1299.88 108486.10  1333.67  610.855   3.6845  612.859   3.7679 -2.004761 5.269992 
1 1 1    8    5   -7 o  443.437   2.4028 57010.43  575.928 57415.15  701.693 56174.97  1008.17  445.872   2.7249  441.002   3.9583 4.870422 4.805542 
1 1 1    8    6   -7 o  423.449   1.8633 51785.77  455.667 51868.20  641.895 51702.02  646.955  423.789   2.6226  423.109   2.6475 0.6799011 3.726556 
1 1 1    8    7   -7 o  529.827   2.5551 81536.43  623.157 81838.50  696.514 80324.74  1395.00  532.333   2.2655  527.320   4.5805 5.012695 5.110154 
1 1 1    8    8   -7 o  111.904   1.3771  3615.43   88.480  3624.73  132.580  3607.97  118.808  112.033   2.0490  111.774   1.8404 0.2585602 2.754207 
1 1 1    8    9   -7 o  326.176   1.8472 30810.66  327.439 30475.84  567.793 30977.49  400.798  324.838   3.0265  327.514   2.1189 -2.675293 3.694500 
1 1 1    8   10   -7 o  388.497   2.1273 43461.68  451.567 43194.75  554.174 43989.13  779.001  386.736   2.4811  390.257   3.4562 -3.520630 4.254572 
1 1 1    8   11   -7 o  378.712   2.4644 41421.00  539.017 41421.00  539.017   0.0000   0.0000  378.712   2.4644  ?   ?       ?      ? 
1 1 1    8   12   -7 o  138.599   1.3708  5546.20  109.617  5516.16  151.505  5579.19  158.796  138.206   1.8981  138.993   1.9782 -0.7868958 2.741508 
1 1 1    8   13   -7 o  219.314   1.8990 13890.59  240.529   0.0000   0.0000 13890.59  240.529  ?   ?   219.314   1.8990      ?      ? 
1 1 1    8   14   -7 o  539.280   2.3843 83982.79  742.490 82973.09  1038.34 85039.31  1062.14  535.965   3.3544  542.596   3.3894 -6.630920 4.768661 
1 1 1    8   15   -7 o  239.857   1.5686 16726.51  187.598 16837.03  216.647 16395.31  375.053  241.458   1.5536  238.255   2.7256 3.202988 3.137279 
1 1 1    8   16   -7 o  215.913   1.6294 13499.41  191.775 13356.81  330.547 13571.77  235.454  215.046   2.6614  216.780   1.8806 -1.733871 3.258826 
1 1 1    8   17   -7 o  340.905   2.0167 33364.54  374.800 32960.07  458.231 34182.05  651.465  337.816   2.3487  343.994   3.2791 -6.178101 4.033444 
1 1 1    8   18   -7 o  362.617   2.1534 37803.94  421.929 37480.86  511.890 38488.60  745.175  360.232   2.4604  365.002   3.5349 -4.770447 4.306876 
1 1 1    8   19   -7 o   88.876   2.7434  2296.72  129.120  2246.16  234.212  2318.79  154.763   88.158   4.6000   89.594   2.9909 -1.435402 5.486885 
1 1 1    8   20   -7 o  225.892   2.0749 14745.31  270.030 14678.93  395.515 14803.26  369.563  225.413   3.0381  226.372   2.8267 -0.9589539 4.149724 
1 1 1    8   21   -7 o  219.925   2.0787 13970.24  264.030   0.0000   0.0000 13970.24  264.030  ?   ?   219.925   2.0787      ?      ? 
1 1 1    8   22   -7 o  251.992   1.7080 18389.99  221.649 18240.79  422.812 18446.53  260.281  251.265   2.9136  252.719   1.7833 -1.453888 3.416012 
1 1 1    8   23   -7 o  288.833   2.2076 24106.99  368.041 24096.71  511.797 24118.00  529.638  288.773   3.0687  288.893   3.1744 -0.1208191 4.415151 
1 1 1    8   24   -7 o  338.163   2.0160 33092.40  370.473 32902.84  643.250 33186.49  453.182  337.399   3.3010  338.928   2.3152 -1.528687 4.031973 
1 1 1    8   25   -7 o   51.545   5.6801  856.736  136.097  655.990  268.958  925.829  157.790   46.532   10.282   56.559   4.8305 -10.02699 11.36010 
1 1 1    8   26   -7 o  200.184   2.0529 11577.64  237.350   0.0000   0.0000 11577.64  237.350  ?   ?   200.184   2.0529      ?      ? 
1 1 1    8   27   -7 o  202.477   2.0317 11830.92  237.346 11149.65  328.540 12574.57  343.258  196.390   2.8966  208.565   2.8497 -12.17564 4.063336 
1 1 1    8   28   -7 o  115.924   2.7323  3726.50  172.081  4364.91  309.600  3441.11  207.002  122.772   4.3663  109.075   3.2860 13.69706 5.464641 
1 1 1    8   29   -7 f  349.208   2.4080 35248.40  485.653   0.0000   0.0000 35248.40  485.653  ?   ?   349.208   2.4080      ?      ? 
1 1 1    8   30   -7 f   12.750   4.4748 -377.3508  118.162 -491.6610  204.056 -319.6841  144.934   13.638   6.7694   11.862   5.8542 1.776628 8.949654 
1 1 1    8   31   -7 o  244.743   2.2021 17313.29  311.261   0.0000   0.0000 17313.29  311.261  ?   ?   244.743   2.2021      ?      ? 
1 1 1    8   32   -7 o  110.278   2.4249  3500.83  153.515  3687.28  232.398  3356.50  204.479  112.858   3.5654  107.697   3.2874 5.161034 4.849706 
1 1 1    8   33   -7 o  107.289   3.0736  3333.41  185.537  3321.90  236.831  3351.68  298.532  107.095   3.8290  107.482   4.8092 -0.3868561 6.147291 
1 1 1    8   34   -7 o  145.414   1.8784  6182.75  144.229  5948.25  261.780  6284.96  172.825  143.367   3.1616  147.462   2.0293 -4.095276 3.756792 
1 1 1    8   35   -7 o  187.255   1.8518 10133.79  200.265   0.0000   0.0000 10133.79  200.265  ?   ?   187.255   1.8518      ?      ? 
1 1 1    8   36   -7 o  206.683   2.1211 12354.73  253.085 11937.54  352.183 12800.22  363.938  203.077   3.0028  210.288   2.9966 -7.210861 4.242194 
1 1 1    8   37   -7 o  141.566   2.1979  5817.52  178.962  5967.96  244.167  5642.87  263.070  143.570   2.9447  139.563   3.2637 4.007065 4.395811 
1 1 1    8   38   -7 o  138.577   2.0860  5554.07  166.955   0.0000   0.0000  5554.07  166.955  ?   ?   138.577   2.0860      ?      ? 
1 1 1    8   39   -7 f  116.539   2.6503  3933.74  178.381   0.0000   0.0000  3933.74  178.381  ?   ?   116.539   2.6503      ?      ? 
1 1 1    8   40   -7 o   88.359   3.1477  2266.39  160.632   0.0000   0.0000  2266.39  160.632  ?   ?    88.359   3.1477      ?      ? 
1 1 1    8   41   -7 o   39.482   6.8550  506.324  156.189  401.584  237.197  586.506  207.533   35.616   10.683   43.347   8.5934 -7.730629 13.70999 
1 1 1    8   42   -7 o  156.189   2.7772  7089.98  250.524   0.0000   0.0000  7089.98  250.524  ?   ?   156.189   2.7772      ?      ? 
1 1 1    8   43   -7 o   39.360   5.8849  479.899  125.914  561.214  209.590  433.977  157.505   41.666   8.9748   37.053   7.6147 4.612480 11.76988 
1 1 1    8   44   -7 o   65.379   3.7376  1257.60  141.129   0.0000   0.0000  1257.60  141.129  ?   ?    65.379   3.7376      ?      ? 
1 1 1    8   45   -7 f   59.253   3.7926  1058.79  125.046  1072.56  206.547  1050.82  157.110   59.197   6.0413   59.308   4.5867 -0.1111870 7.585257 
1 1 1    8   46   -7 f   66.489   4.1911  1319.22  160.940   0.0000   0.0000  1319.22  160.940  ?   ?    66.489   4.1911      ?      ? 
1 1 1    8   47   -7 o   15.791   7.6460 -274.8595  214.573   0.0000   0.0000 -274.8595  214.573  ?   ?    15.791   7.6460      ?      ? 
1 1 1    8   48   -7 o   54.585   5.2179  915.635  164.495   0.0000   0.0000  915.635  164.495  ?   ?    54.585   5.2179      ?      ? 
1 1 1    8   49   -7 o   20.659   8.7003   84.185  176.932   0.0000   0.0000   84.185  176.932  ?   ?    20.659   8.7003      ?      ? 
1 1 1    8    0   -8 f  564.410   3.3838 92009.20  1102.93 92009.20  1102.93   0.0000   0.0000  564.410   3.3838  564.410   3.3838 -0.000000 0.000000 
1 1 1    8    1   -8 o  176.211   1.4722  8963.85  138.639  8975.59  248.898  8958.57  166.934  176.292   2.4446  176.130   1.6411 0.1627045 2.944322 
1 1 1    8    2   -8 o  552.261   2.3693 88088.03  755.683 88006.30  1063.86 88171.26  1073.60  552.002   3.3370  552.519   3.3644 -0.5163574 4.738673 
1 1 1    8    3   -8 f  438.956   2.3465 55653.43  556.816 55657.91  677.258 55644.06  978.151  438.997   2.6712  438.915   3.8587 0.8148193E-01 4.693060 
1 1 1    8    4   -8 o  305.933   2.3664 27023.74  418.007 26679.45  583.072 27387.80  599.576  303.930   3.3217  307.937   3.3713 -4.007477 4.732815 
1 1 1    8    5   -8 o  396.079   1.7833 45307.06  407.926 45459.29  576.792 45154.71  576.997  396.745   2.5172  395.414   2.5266 1.331482 3.566532 
1 1 1    8    6   -8 o  239.598   1.3416 16580.77  185.617 16436.46  264.286 16721.26  260.754  238.569   1.9181  240.627   1.8763 -2.058273 2.683217 
1 1 1    8    7   -8 o  452.223   2.5179 59138.85  622.685 58846.42  1067.83 59289.53  766.497  451.360   4.0963  453.086   2.9292 -1.726563 5.035858 
1 1 1    8    8   -8 o  310.881   1.7028 27910.38  305.728   0.0000   0.0000 27910.38  305.728  ?   ?   310.881   1.7028      ?      ? 
1 1 1    8    9   -8 o  525.046   2.6268 79351.24  691.135 79075.30  798.139 80178.32  1381.83  523.259   2.6411  526.833   4.5415 -3.574341 5.253573 
1 1 1    8   10   -8 o  409.595   1.8098 48452.70  428.115 48077.33  604.959 48829.29  605.933  408.006   2.5673  411.185   2.5515 -3.178650 3.619576 
1 1 1    8   11   -8 o  506.442   2.2705 74085.88  664.064 74834.68  936.770 73329.48  941.506  509.016   3.1865  503.869   3.2353 5.146667 4.541070 
1 1 1    8   12   -8 o  678.408   4.0199 132995.41  1574.99 132346.20  2231.23 133640.20  2223.53  676.756   5.7086  680.060   5.6612 -3.304077 8.039722 
1 1 1    8   13   -8 o  513.411   2.6101 76129.30  773.937 76129.30  773.937   0.0000   0.0000  513.411   2.6101  ?   ?       ?      ? 
1 1 1    8   14   -8 o  178.592   1.8468  9226.68  187.849  9121.58  290.024  9302.63  246.555  177.712   2.8258  179.472   2.3787 -1.760086 3.693627 
1 1 1    8   15   -8 o  495.849   2.4460 70629.75  607.657 70237.92  701.310 71809.96  1217.15  493.144   2.4624  498.554   4.2271 -5.410309 4.892011 
1 1 1    8   16   -8 o  261.428   1.6802 19683.01  215.043 19633.45  245.672 19845.45  444.734  260.738   1.6314  262.119   2.9378 -1.380981 3.360357 
1 1 1    8   17   -8 o  240.250   2.0555 16672.56  285.208 16538.03  402.971 16807.59  403.719  239.278   2.9160  241.221   2.8979 -1.942566 4.111039 
1 1 1    8   18   -8 o  281.714   1.9763 23041.52  299.427 23249.35  363.352 22601.73  528.566  283.719   2.2175  279.709   3.2720 4.009827 3.952573 
1 1 1    8   19   -8 o  349.953   2.0518 35575.46  390.440 34787.71  674.230 35972.91  478.913  347.000   3.3643  352.905   2.3497 -5.905640 4.103601 
1 1 1    8   20   -8 o  187.349   1.8989 10131.85  173.259 10153.64  360.479 10125.31  197.576  187.462   3.3295  187.236   1.8271 0.2257690 3.797881 
1 1 1    8   21   -8 o  239.894   2.0805 16622.17  288.139 16782.06  414.341 16472.45  400.968  241.010   2.9767  238.779   2.9076 2.230774 4.161101 
1 1 1    8   22   -8 o  248.772   2.0489 17876.39  294.386   0.0000   0.0000 17876.39  294.386  ?   ?   248.772   2.0489      ?      ? 
1 1 1    8   23   -8 o   92.932   2.5849  2495.22  138.735   0.0000   0.0000  2495.22  138.735  ?   ?    92.932   2.5849      ?      ? 
1 1 1    8   24   -8 o  221.943   1.6528 14228.07  211.853   0.0000   0.0000 14228.07  211.853  ?   ?   221.943   1.6528      ?      ? 
1 1 1    8   25   -8 o  245.687   2.1725 17439.45  308.261   0.0000   0.0000 17439.45  308.261  ?   ?   245.687   2.1725      ?      ? 
1 1 1    8   26   -8 o  192.142   1.8130 10665.29  189.083 10681.45  329.673 10657.37  230.822  192.224   2.9695  192.059   2.0809 0.1652527 3.626082 
1 1 1    8   27   -8 o  110.397   2.2088  3534.41  134.591  3488.90  225.808  3559.49  167.620  109.822   3.5601  110.972   2.6153 -1.149818 4.417520 
1 1 1    8   28   -8 o  209.514   2.0724 12694.01  250.733 12604.15  356.528 12781.93  352.683  208.777   2.9568  210.250   2.9044 -1.472290 4.144707 
1 1 1    8   29   -8 o  323.931   2.3072 30269.82  430.555 29208.57  584.661 31527.28  636.420  317.759   3.1858  330.102   3.3382 -12.34344 4.614427 
1 1 1    8   30   -8 o  264.323   1.9024 20124.65  277.724 20467.94  468.778 19939.01  344.736  266.002   3.0514  262.643   2.2727 3.358673 3.804727 
1 1 1    8   31   -8 o   31.436   9.4705  293.014  186.122   0.0000   0.0000  293.014  186.122  ?   ?    31.436   9.4705      ?      ? 
1 1 1    8   32   -8 o   36.377   6.8897  379.694  141.007  484.253  247.081  329.194  171.716   39.809   10.570   32.946   8.8405 6.862740 13.77935 
1 1 1    8   33   -8 o   26.512   7.1658  147.006  151.433   88.906  248.722  181.229  190.892   26.129   10.589   26.895   9.6571 -0.7654190 14.33150 
1 1 1    8   34   -8 o   28.996   10.255  218.522  214.474   0.0000   0.0000  218.522  214.474  ?   ?    28.996   10.255      ?      ? 
1 1 1    8   35   -8 o  271.777   2.0158 21368.46  300.825 21383.61  512.115 21360.48  371.717  271.766   3.2628  271.787   2.3681 -0.2090454E-01 4.031570 
1 1 1    8   36   -8 o   74.073   4.2146  1594.21  174.937  1624.24  285.284  1576.11  221.459   74.545   6.6264   73.601   5.2098 0.9431534 8.429186 
1 1 1    8   37   -8 o   99.803   3.1119  2893.22  172.189  2897.67  286.965  2890.73  215.244   99.776   4.9798   99.829   3.7333 -0.5298615E-01 6.223827 
1 1 1    8   38   -8 o   93.291   2.8018  2587.14  133.918  2398.76  252.778  2660.64  157.897   90.743   4.8233   95.840   2.8526 -5.097298 5.603684 
1 1 1    8   39   -8 o   53.992   4.4778  784.550  130.240  1067.23  243.263  670.967  154.201   60.120   7.0060   47.863   5.5783 12.25738 8.955544 
1 1 1    8   40   -8 o   76.226   3.4450  1689.19  151.663   0.0000   0.0000  1689.19  151.663  ?   ?    76.226   3.4450      ?      ? 
1 1 1    8   41   -8 o   16.238   7.7164 -227.0066  196.688   0.0000   0.0000 -227.0066  196.688  ?   ?    16.238   7.7164      ?      ? 
1 1 1    8   42   -8 o   88.541   3.1316  2288.34  159.597  2513.12  237.586  2103.51  215.443   92.470   4.4487   84.613   4.4087 7.857468 6.263203 
1 1 1    8   43   -8 o   45.671   6.2243  629.007  164.176   0.0000   0.0000  629.007  164.176  ?   ?    45.671   6.2243      ?      ? 
1 1 1    8   44   -8 o   80.997   4.0191  1938.35  188.012   0.0000   0.0000  1938.35  188.012  ?   ?    80.997   4.0191      ?      ? 
1 1 1    8   45   -8 o   29.499   9.0799  293.486  169.855   0.0000   0.0000  293.486  169.855  ?   ?    29.499   9.0799      ?      ? 
1 1 1    8   46   -8 o   98.445   3.2513  2856.66  184.855   0.0000   0.0000  2856.66  184.855  ?   ?    98.445   3.2513      ?      ? 
1 1 1    8   47   -8 o   82.677   3.9403  2040.19  188.148   0.0000   0.0000  2040.19  188.148  ?   ?    82.677   3.9403      ?      ? 
1 1 1    8   48   -8 o   67.548   4.5084  1382.92  175.881   0.0000   0.0000  1382.92  175.881  ?   ?    67.548   4.5084      ?      ? 
1 1 1    8   49   -8 f   50.153   6.7351  819.626  195.087   0.0000   0.0000  819.626  195.087  ?   ?    50.153   6.7351      ?      ? 
1 1 1    8    0   -9 f  120.069   2.3358  4168.04  161.839  4168.04  161.839   0.0000   0.0000  120.069   2.3358  120.069   2.3358 -0.000000 0.000000 
1 1 1    8    1   -9 o  958.362   5.4642 265477.91  3024.40 264861.69  4273.70 266096.00  4280.60  957.247   7.7303  959.476   7.7248 -2.228516 10.92836 
1 1 1    8    2   -9 o  763.768   3.2064 168506.50  1414.38 167607.80  1996.85 169411.30  2003.64  761.724   4.5390  765.812   4.5301 -4.087646 6.412868 
1 1 1    8    3   -9 f  333.784   1.8751 32360.10  340.203 31628.48  587.852 32728.53  417.158  330.924   3.0758  336.643   2.1456 -5.718811 3.750190 
1 1 1    8    4   -9 o  392.660   1.7643 44527.99  400.100 44583.77  565.341 44472.02  566.316  392.906   2.4914  392.413   2.4988 0.4928589 3.528570 
1 1 1    8    5   -9 o  297.593   1.8127 25425.99  294.200 25124.94  359.849 26032.82  510.908  294.957   2.1124  300.228   2.9465 -5.271362 3.625472 
1 1 1    8    6   -9 o  292.855   2.1462 24773.23  362.960 25089.73  511.577 24452.41  515.047  294.739   3.0053  290.970   3.0649 3.768372 4.292469 
1 1 1    8    7   -9 o  785.522   4.1348 178049.09  1770.79 177561.00  2170.11 179021.50  3063.28  783.989   4.7928  787.054   6.7390 -3.065186 8.269520 
1 1 1    8    8   -9 o  744.798   4.0452 160111.41  1630.37 159793.80  1983.92 160772.00  2861.34  743.737   4.6187  745.858   6.6424 -2.121094 8.090399 
1 1 1    8    9   -9 o  173.260   1.5393  8641.60  133.777  8613.44  154.573  8725.65  267.036  172.703   1.5497  173.817   2.6601 -1.113678 3.078554 
1 1 1    8   10   -9 o   99.526   1.9179  2815.94   90.625  2782.82  102.013  2939.93  197.380   98.164   1.7994  100.888   3.3875 -2.724602 3.835721 
1 1 1    8   11   -9 o  179.674   1.6115  9301.32  155.622  9263.32  188.119  9383.70  276.990  179.098   1.8187  180.251   2.6607 -1.152740 3.222909 
1 1 1    8   12   -9 o  460.108   2.0222 61140.69  537.333 60797.21  755.739 61491.85  764.139  458.801   2.8521  461.414   2.8675 -2.613098 4.044336 
1 1 1    8   13   -9 f  638.047   4.0626 117653.10  1496.94 117547.20  2102.67 117762.00  2131.62  637.759   5.7086  638.335   5.7820 -0.5758057 8.125224 
1 1 1    8   14   -9 o  237.304   2.1404 16263.69  293.353 16263.69  293.353   0.0000   0.0000  237.304   2.1404  ?   ?       ?      ? 
1 1 1    8   15   -9 o   70.063   3.4501  1347.38  127.665  1594.28  242.802  1253.03  150.087   74.268   5.6606   65.857   3.9460 8.410545 6.900245 
1 1 1    8   16   -9 o  220.392   1.7589 14018.34  209.824 13997.98  255.418 14060.60  367.970  220.154   2.0088  220.630   2.8878 -0.4764252 3.517739 
1 1 1    8   17   -9 f  316.166   1.9601 28778.90  333.535 29135.79  592.641 28613.46  403.505  317.580   3.2311  314.752   2.2197 2.827759 3.920109 
1 1 1    8   18   -9 o  208.842   1.8044 12716.06  184.541 12376.12  378.096 12822.37  211.435  206.978   3.1630  210.707   1.7375 -3.729218 3.608744 
1 1 1    8   19   -9 o  131.368   1.8041  5055.71  128.770  4772.85  220.616  5201.87  158.587  128.535   2.9719  134.202   2.0461 -5.667358 3.608125 
1 1 1    8   20   -9 o  328.261   1.9214 31372.35  315.407 30643.06  627.182 31619.23  364.908  325.654   3.3347  330.868   1.9096 -5.214294 3.842735 
1 1 1    8   21   -9 o  239.438   1.4547 16554.64  200.658 16487.28  273.960 16632.60  294.724  238.915   1.9855  239.961   2.1266 -1.046158 2.909389 
1 1 1    8   22   -9 o  378.242   2.0156 41511.16  392.181 40957.73  748.399 41720.66  460.468  376.446   3.4423  380.039   2.0979 -3.593292 4.031185 
1 1 1    8   23   -9 o  375.475   2.0335 40725.84  440.975   0.0000   0.0000 40725.84  440.975  ?   ?   375.475   2.0335      ?      ? 
1 1 1    8   24   -9 o  229.992   1.8693 15375.46  232.459 15545.47  283.603 15027.38  405.798  231.969   2.1169  228.015   3.0815 3.954025 3.738558 
1 1 1    8   25   -9 o  100.646   2.7095  2926.42  151.036  2917.44  188.413  2942.56  252.643  100.454   3.2476  100.838   4.3381 -0.3846664 5.419001 
1 1 1    8   26   -9 o  366.250   2.2022 38824.34  441.985 38656.73  754.710 38911.83  545.274  365.575   3.5745  366.925   2.5731 -1.349945 4.404306 
1 1 1    8   27   -9 f  219.885   2.3056 13972.83  292.796   0.0000   0.0000 13972.83  292.796  ?   ?   219.885   2.3056      ?      ? 
1 1 1    8   28   -9 o   99.323   3.0459  2816.66  173.133  3159.65  267.834  2570.46  226.915  104.433   4.4406   94.212   4.1703 10.22083 6.091858 
1 1 1    8   29   -9 o  146.668   2.4544  6236.22  207.541  5919.29  296.911  6539.02  290.217  143.006   3.5949  150.329   3.3427 -7.323425 4.908852 
1 1 1    8   30   -9 o  130.626   2.7518  4945.09  207.116  4996.26  284.185  4887.11  302.484  131.361   3.7458  129.891   4.0322 1.470276 5.503612 
1 1 1    8   31   -9 o  210.712   1.8264 12829.75  222.269   0.0000   0.0000 12829.75  222.269  ?   ?   210.712   1.8264      ?      ? 
1 1 1    8   32   -9 o  106.410   3.3678  3277.28  206.974   0.0000   0.0000  3277.28  206.974  ?   ?   106.410   3.3678      ?      ? 
1 1 1    8   33   -9 o  157.503   2.5727  7173.76  234.030   0.0000   0.0000  7173.76  234.030  ?   ?   157.503   2.5727      ?      ? 
1 1 1    8   34   -9 o   67.093   4.7327  1306.63  183.388   0.0000   0.0000  1306.63  183.388  ?   ?    67.093   4.7327      ?      ? 
1 1 1    8   35   -9 o   33.897   10.211  344.400  216.385   0.0000   0.0000  344.400  216.385  ?   ?    33.897   10.211      ?      ? 
1 1 1    8   36   -9 o   77.960   4.5932  1765.96  206.811   0.0000   0.0000  1765.96  206.811  ?   ?    77.960   4.5932      ?      ? 
1 1 1    8   37   -9 o   49.491   7.0244  719.204  200.781   0.0000   0.0000  719.204  200.781  ?   ?    49.491   7.0244      ?      ? 
1 1 1    8   38   -9 o   84.855   3.3957  2064.07  164.711  2343.62  256.333  1867.48  214.962   89.643   4.9511   80.067   4.6486 9.576004 6.791391 
1 1 1    8   39   -9 o   58.019   5.9815  989.303  200.435   0.0000   0.0000  989.303  200.435  ?   ?    58.019   5.9815      ?      ? 
1 1 1    8   40   -9 o   90.643   3.8717  2394.48  202.684   0.0000   0.0000  2394.48  202.684  ?   ?    90.643   3.8717      ?      ? 
1 1 1    8   41   -9 o   93.475   4.0208  2554.62  217.065   0.0000   0.0000  2554.62  217.065  ?   ?    93.475   4.0208      ?      ? 
1 1 1    8   42   -9 o   54.930   6.6100  908.385  209.697   0.0000   0.0000  908.385  209.697  ?   ?    54.930   6.6100      ?      ? 
1 1 1    8   43   -9 o  106.074   3.3910  3295.44  207.744   0.0000   0.0000  3295.44  207.744  ?   ?   106.074   3.3910      ?      ? 
1 1 1    8   44   -9 o   59.347   6.1198  1075.33  209.761   0.0000   0.0000  1075.33  209.761  ?   ?    59.347   6.1198      ?      ? 
1 1 1    8   45   -9 o   59.990   6.0782  1108.46  210.589   0.0000   0.0000  1108.46  210.589  ?   ?    59.990   6.0782      ?      ? 
1 1 1    8   46   -9 o   38.116   9.0980  504.909  197.504   0.0000   0.0000  504.909  197.504  ?   ?    38.116   9.0980      ?      ? 
1 1 1    8   47   -9 o  105.574   3.4183  3302.78  208.428   0.0000   0.0000  3302.78  208.428  ?   ?   105.574   3.4183      ?      ? 
1 1 1    8   48   -9 f   64.449   4.7626  1268.70  177.274   0.0000   0.0000  1268.70  177.274  ?   ?    64.449   4.7626      ?      ? 
1 1 1    8   49   -9 o   20.404   8.9248   54.597  199.895   0.0000   0.0000   54.597  199.895  ?   ?    20.404   8.9248      ?      ? 
1 1 1    8    0  -10 o  611.240   4.6697 107927.80  1648.28 107927.80  1648.28   0.0000   0.0000  611.240   4.6697  611.240   4.6697 -0.000000 0.000000 
1 1 1    8    1  -10 o  894.289   3.4550 231038.80  1784.46 231017.30  2524.92 231060.30  2522.31  894.248   4.8888  894.331   4.8833 -0.8374023E-01 6.909945 
1 1 1    8    2  -10 o  905.124   4.1905 237052.00  2074.68 237767.41  2554.82 235666.91  3555.13  907.218   4.8760  903.030   6.8166 4.188477 8.381030 
1 1 1    8    3  -10 o  585.005   3.4029 99183.76  1080.25 99802.16  1320.68 97933.65  1877.76  587.809   3.8902  582.201   5.5845 5.607849 6.805899 
1 1 1    8    4  -10 o  325.760   1.9542 30437.30  343.438 31236.85  609.557 30065.45  415.699  328.865   3.2093  322.654   2.2308 6.210480 3.908456 
1 1 1    8    5  -10 o  685.309   3.5993 135452.09  1316.60 135079.50  1582.85 136288.70  2371.86  683.842   4.0077  686.777   5.9798 -2.935059 7.198626 
1 1 1    8    6  -10 o  684.256   3.5001 135545.91  1306.76 134404.30  2249.14 136127.59  1605.56  682.026   5.7099  686.485   4.0496 -4.458801 7.000158 
1 1 1    8    7  -10 o  537.634   2.5888 83525.03  705.562 83419.16  1382.12 83562.34  820.533  537.372   4.4533  537.897   2.6413 -0.5256958 5.177685 
1 1 1    8    8  -10 o  365.774   1.9618 38637.87  414.428   0.0000   0.0000 38637.87  414.428  ?   ?   365.774   1.9618      ?      ? 
1 1 1    8    9  -10 o  415.800   2.6119 49939.46  627.232 50254.73  887.994 49625.55  886.089  417.110   3.6862  414.490   3.7015 2.619720 5.223881 
1 1 1    8   10  -10 o  246.460   2.0384 17542.29  290.152   0.0000   0.0000 17542.29  290.152  ?   ?   246.460   2.0384      ?      ? 
1 1 1    8   11  -10 o  362.073   2.3670 37856.10  494.876 37320.83  691.796 38417.07  708.214  359.453   3.3323  364.693   3.3624 -5.240143 4.733962 
1 1 1    8   12  -10 o  512.687   2.7522 76082.77  770.674 75466.13  1323.82 76398.89  947.850  511.081   4.4849  514.293   3.1911 -3.212219 5.504343 
1 1 1    8   13  -10 o  518.867   2.6701 77788.56  758.361 77728.34  1299.25 77819.67  933.970  518.683   4.3372  519.051   3.1156 -0.3682251 5.340194 
1 1 1    8   14  -10 o  675.075   3.5868 131356.50  1337.41 132875.91  2254.41 130531.30  1661.34  678.006   5.7572  672.144   4.2797 5.861694 7.173648 
1 1 1    8   15  -10 o  421.897   2.1531 51224.57  461.309 51818.19  904.028 51015.59  536.401  423.513   3.6960  420.280   2.2099 3.232513 4.306248 
1 1 1    8   16  -10 o  239.225   1.5326 16509.63  211.112 16770.04  311.885 16289.42  286.803  240.962   2.2411  237.487   2.0910 3.475174 3.065106 
1 1 1    8   17  -10 o  137.709   2.2193  5484.60  160.881  5463.47  296.251  5493.43  191.594  137.509   3.7303  137.909   2.4055 -0.3997498 4.438645 
1 1 1    8   18  -10 o  328.408   1.9608 31104.78  324.492 31260.28  642.452 31051.52  375.974  328.929   3.3818  327.887   1.9854 1.042480 3.921566 
1 1 1    8   19  -10 o  322.826   1.9373 30161.17  311.637 29999.53  625.894 30214.45  359.347  322.216   3.3633  323.435   1.9237 -1.218231 3.874612 
1 1 1    8   20  -10 o  222.722   2.2175 14328.94  285.236   0.0000   0.0000 14328.94  285.236  ?   ?   222.722   2.2175      ?      ? 
1 1 1    8   21  -10 o  344.664   2.3750 34377.09  467.796 34652.86  619.665 34011.68  713.298  346.294   3.0983  343.034   3.6004 3.259399 4.749984 
1 1 1    8   22  -10 o   12.287   4.1770 -223.8459   90.277 -100.6667  123.649 -364.4676  132.113   14.089   6.5042   10.485   5.2425 3.603951 8.353991 
1 1 1    8   23  -10 o   89.541   3.1752  2317.44  164.204   0.0000   0.0000  2317.44  164.204  ?   ?    89.541   3.1752      ?      ? 
1 1 1    8   24  -10 o  298.349   2.3055 25718.88  397.265   0.0000   0.0000 25718.88  397.265  ?   ?   298.349   2.3055      ?      ? 
1 1 1    8   25  -10 o   22.699   8.9689   82.883  173.885   0.0000   0.0000   82.883  173.885  ?   ?    22.699   8.9689      ?      ? 
1 1 1    8   26  -10 o  103.849   2.8810  3117.90  172.796   0.0000   0.0000  3117.90  172.796  ?   ?   103.849   2.8810      ?      ? 
1 1 1    8   27  -10 o   78.260   3.9223  1772.90  177.281   0.0000   0.0000  1772.90  177.281  ?   ?    78.260   3.9223      ?      ? 
1 1 1    8   28  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   29  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   30  -10 o  195.346   2.3477 11031.36  264.875   0.0000   0.0000 11031.36  264.875  ?   ?   195.346   2.3477      ?      ? 
1 1 1    8   31  -10 o  168.036   2.5128  8164.02  243.863   0.0000   0.0000  8164.02  243.863  ?   ?   168.036   2.5128      ?      ? 
1 1 1    8   32  -10 o  143.624   2.7941  5966.39  231.766   0.0000   0.0000  5966.39  231.766  ?   ?   143.624   2.7941      ?      ? 
1 1 1    8   33  -10 o  244.882   2.3348 17337.68  330.210   0.0000   0.0000 17337.68  330.210  ?   ?   244.882   2.3348      ?      ? 
1 1 1    8   34  -10 o  116.867   3.4951  3955.74  235.903   0.0000   0.0000  3955.74  235.903  ?   ?   116.867   3.4951      ?      ? 
1 1 1    8   35  -10 o  130.491   2.9049  4943.25  218.741  4723.64  310.087  5160.78  308.612  127.589   4.2081  133.393   4.0058 -5.803314 5.809878 
1 1 1    8   36  -10 o  117.617   3.2482  4042.14  219.380  4291.40  300.932  3759.43  320.491  121.556   4.2865  113.677   4.8816 7.879654 6.496471 
1 1 1    8   37  -10 o   64.231   4.3473  1199.61  161.268   0.0000   0.0000  1199.61  161.268  ?   ?    64.231   4.3473      ?      ? 
1 1 1    8   38  -10 o  123.508   2.5126  4401.59  168.730  4512.10  294.700  4347.69  205.800  124.541   4.0971  122.474   2.9095 2.067268 5.025102 
1 1 1    8   39  -10 o   59.561   4.9451  981.952  156.386  1232.75  297.143  885.870  183.918   64.232   8.0099   54.890   5.8016 9.342636 9.890273 
1 1 1    8   40  -10 o  126.072   2.6897  4673.83  185.668  4507.66  314.655  4762.59  229.971  124.137   4.3888  128.007   3.1107 -3.870316 5.379413 
1 1 1    8   41  -10 o   64.055   4.2582  1219.72  151.764  1226.03  250.566  1216.06  190.729   63.930   6.7863   64.181   5.1454 -0.2515564 8.516436 
1 1 1    8   42  -10 o   50.602   5.9619  816.396  167.174  702.816  246.624  912.949  227.386   46.470   9.5097   54.734   7.1932 -8.264568 11.92373 
1 1 1    8   43  -10 o   16.281   7.6282 -149.0258  180.232   0.0000   0.0000 -149.0258  180.232  ?   ?    16.281   7.6282      ?      ? 
1 1 1    8   44  -10 o   70.606   3.8297  1456.14  150.856  1713.60  255.305  1318.03  186.992   74.932   5.8994   66.280   4.8849 8.652443 7.659313 
1 1 1    8   45  -10 o   61.727   5.2370  1204.29  185.875  1072.92  250.905  1364.10  276.721   57.955   7.4960   65.498   7.3152 -7.542835 10.47390 
1 1 1    8   46  -10 o   26.411   7.4855  198.240  174.598  147.359  244.024  251.609  249.921   24.901   10.332   27.921   10.834 -3.019957 14.97099 
1 1 1    8   47  -10 o   27.623   7.2795  263.174  157.656  202.766  238.913  309.769  209.826   25.972   10.430   29.274   10.158 -3.302166 14.55893 
1 1 1    8   48  -10 o   74.075   4.3031  1662.96  184.094   0.0000   0.0000  1662.96  184.094  ?   ?    74.075   4.3031      ?      ? 
1 1 1    8   49  -10 o   27.398   8.7629  278.137  156.712   0.0000   0.0000  278.137  156.712  ?   ?    27.398   8.7629      ?      ? 
1 1 1    8    0  -11 o  747.956   4.1388 161584.80  1787.39 164712.00  2552.59 158576.50  2503.62  755.055   5.8543  740.856   5.8521 -0.000000 0.000000 
1 1 1    8    1  -11 o  677.722   3.3405 132525.30  1238.55 133197.70  2127.49 132180.50  1523.31  678.977   5.4254  676.467   3.8990 2.510315 6.681078 
1 1 1    8    2  -11 o  351.406   2.1269 35491.97  409.605 36211.37  703.646 35123.25  503.755  354.077   3.4409  348.734   2.5011 5.342621 4.253878 
1 1 1    8    3  -11 o  366.392   2.0135 38724.14  402.089 38628.96  492.636 38914.08  695.930  365.727   2.3323  367.056   3.2828 -1.329071 4.026979 
1 1 1    8    4  -11 o  469.489   2.8274 63671.20  766.643 63149.27  1083.97 64193.54  1084.42  467.563   4.0141  471.415   3.9830 -3.851227 5.654875 
1 1 1    8    5  -11 f  347.111   2.3576 34796.75  472.628 34796.75  472.628   0.0000   0.0000  347.111   2.3576  ?   ?       ?      ? 
1 1 1    8    6  -11 o  303.937   1.8909 26705.86  312.367 26756.93  382.067 26602.91  542.468  304.383   2.1734  303.491   3.0949 0.8920288 3.781773 
1 1 1    8    7  -11 o  244.349   2.1196 17234.24  298.872 17001.31  413.189 17489.85  432.833  242.619   2.9488  246.078   3.0455 -3.459686 4.239148 
1 1 1    8    8  -11 o  153.856   1.8254  6836.25  162.199  6836.25  162.199   0.0000   0.0000  153.856   1.8254  ?   ?       ?      ? 
1 1 1    8    9  -11 o  240.689   1.7562 16761.17  236.562 16853.46  300.019 16609.47  384.626  241.571   2.1504  239.807   2.7771 1.763474 3.512333 
1 1 1    8   10  -11 o  221.502   1.8621 14104.89  225.999 13965.68  277.922 14376.64  388.303  219.902   2.1883  223.102   3.0136 -3.200439 3.724291 
1 1 1    8   11  -11 f  219.294   2.0314 13888.52  257.280 13888.52  257.280   0.0000   0.0000  219.294   2.0314  ?   ?       ?      ? 
1 1 1    8   12  -11 o  103.547   1.9790  3109.02  116.824  3176.69  154.287  3018.09  178.849  104.875   2.5473  102.219   3.0295 2.655220 3.958074 
1 1 1    8   13  -11 f  281.954   2.2402 22960.36  364.799   0.0000   0.0000 22960.36  364.799  ?   ?   281.954   2.2402      ?      ? 
1 1 1    8   14  -11 o  155.246   2.0241  7007.33  175.828  7152.30  223.830  6773.70  284.141  157.363   2.4628  153.130   3.2128 4.232498 4.048182 
1 1 1    8   15  -11 o  316.337   1.9698 28869.03  339.415 29015.16  588.185 28796.07  415.591  316.921   3.2135  315.753   2.2789 1.168640 3.939558 
1 1 1    8   16  -11 o   48.926   4.9775  777.119  108.267  835.599  123.562  583.795  224.659   53.775   3.9785   44.078   9.1255 9.696445 9.955072 
1 1 1    8   17  -11 o  330.564   2.0766 31397.44  379.769 32156.24  639.762 30984.58  471.908  333.612   3.3204  327.515   2.4948 6.097260 4.153221 
1 1 1    8   18  -11 o  435.354   2.5158 54740.47  604.423 54864.74  1018.47 54672.91  750.963  435.692   4.0475  435.016   2.9890 0.6759338 5.031538 
1 1 1    8   19  -11 o  447.846   3.0639 57950.97  792.488   0.0000   0.0000 57950.97  792.488  ?   ?   447.846   3.0639      ?      ? 
1 1 1    8   20  -11 o   16.202   7.4599 -125.4205  161.137   0.0000   0.0000 -125.4205  161.137  ?   ?    16.202   7.4599      ?      ? 
1 1 1    8   21  -11 o  221.809   2.0831 14212.22  266.853   0.0000   0.0000 14212.22  266.853  ?   ?   221.809   2.0831      ?      ? 
1 1 1    8   22  -11 o   43.215   6.3326  541.262  158.054   0.0000   0.0000  541.262  158.054  ?   ?    43.215   6.3326      ?      ? 
1 1 1    8   23  -11 o   25.410   8.3131  180.297  140.546   0.0000   0.0000  180.297  140.546  ?   ?    25.410   8.3131      ?      ? 
1 1 1    8   24  -11 o   50.368   5.9475  735.681  173.012   0.0000   0.0000  735.681  173.012  ?   ?    50.368   5.9475      ?      ? 
1 1 1    8   25  -11 o  123.052   2.4888  4376.16  176.870   0.0000   0.0000  4376.16  176.870  ?   ?   123.052   2.4888      ?      ? 
1 1 1    8   26  -11 o  143.685   2.2883  5966.57  189.891   0.0000   0.0000  5966.57  189.891  ?   ?   143.685   2.2883      ?      ? 
1 1 1    8   27  -11 f  139.434   2.7363  5629.27  220.238  5654.95  306.966  5602.03  316.164  139.768   3.8027  139.101   3.9355 0.6675262 5.472553 
1 1 1    8   28  -11 o   44.744   6.1482  542.677  140.767  772.518  272.144  458.719  164.480   50.483   9.6863   39.004   7.5747 11.47899 12.29633 
1 1 1    8   29  -11 o   80.531   4.0315  1928.64  181.645  1677.46  283.806  2102.92  236.409   75.913   6.4732   85.148   4.8073 -9.235649 8.063071 
1 1 1    8   30  -11 o  210.771   2.0069 12862.21  231.993 12805.81  395.429 12891.80  286.476  210.365   3.2547  211.176   2.3489 -0.8102112 4.013747 
1 1 1    8   31  -11 f   72.728   4.4559  1519.72  184.170  1648.55  292.076  1434.68  237.288   75.214   6.7238   70.243   5.8491 4.970734 8.911856 
1 1 1    8   32  -11 o  236.853   1.9693 16296.71  253.823 16016.52  438.148 16438.24  311.398  235.247   3.2249  238.458   2.2611 -3.211441 3.938561 
1 1 1    8   33  -11 o  169.120   2.5041  8271.34  244.589   0.0000   0.0000  8271.34  244.589  ?   ?   169.120   2.5041      ?      ? 
1 1 1    8   34  -11 o  128.220   2.9399  4761.55  217.521  4941.50  315.679  4598.87  300.150  130.519   4.1878  125.921   4.1272 4.598152 5.879735 
1 1 1    8   35  -11 o  138.859   2.7951  5590.41  224.063  5690.30  322.589  5497.29  311.451  140.051   3.9882  137.666   3.9172 2.384491 5.590197 
1 1 1    8   36  -11 o   33.080   7.2165  349.025  158.041  445.466  185.060   89.190  303.761   38.077   8.6163   28.082   11.579 9.995504 14.43292 
1 1 1    8   37  -11 o   37.920   9.5083  446.475  207.856   0.0000   0.0000  446.475  207.856  ?   ?    37.920   9.5083      ?      ? 
1 1 1    8   38  -11 o  116.788   3.5498  3962.68  239.434   0.0000   0.0000  3962.68  239.434  ?   ?   116.788   3.5498      ?      ? 
1 1 1    8   39  -11 o   38.942   8.7670  474.573  192.424   0.0000   0.0000  474.573  192.424  ?   ?    38.942   8.7670      ?      ? 
1 1 1    8   40  -11 o  143.209   2.6157  5982.27  216.320  5857.67  304.679  6108.91  307.182  141.696   3.7230  144.722   3.6752 -3.025696 5.231426 
1 1 1    8   41  -11 o   12.621   6.3425 -590.0770  205.447   0.0000   0.0000 -590.0770  205.447  ?   ?    12.621   6.3425      ?      ? 
1 1 1    8   42  -11 o  119.348   2.7282  4149.45  188.053   0.0000   0.0000  4149.45  188.053  ?   ?   119.348   2.7282      ?      ? 
1 1 1    8   43  -11 o   41.674   6.0871  528.758  146.507   0.0000   0.0000  528.758  146.507  ?   ?    41.674   6.0871      ?      ? 
1 1 1    8   44  -11 o   32.171   7.6294  363.485  167.083  364.004  239.774  362.995  232.955   32.185   10.867   32.158   10.711 0.2735519E-01 15.25888 
1 1 1    8   45  -11 o   58.866   5.9166  1122.01  199.640  977.974  264.715  1312.00  304.016   54.516   8.4076   63.217   8.3268 -8.701214 11.83317 
1 1 1    8   46  -11 o   40.226   5.9659  567.098  123.828  497.175  231.311  595.186  146.604   36.622   10.432   43.830   5.7914 -7.207897 11.93184 
1 1 1    8   47  -11 o   95.360   3.5545  2784.69  195.533  2716.75  268.899  2860.93  284.840   94.221   4.9415   96.499   5.1108 -2.278328 7.109052 
1 1 1    8   48  -11 o   28.708   9.8498  311.252  197.022   0.0000   0.0000  311.252  197.022  ?   ?    28.708   9.8498      ?      ? 
1 1 1    8    0  -12 o  161.964   2.1763  7579.65  203.495  7579.65  203.495   0.0000   0.0000  161.964   2.1763  161.964   2.1763 -0.000000 0.000000 
1 1 1    8    1  -12 f  375.072   1.8541 40625.52  401.601 40256.69  564.128 41004.53  571.851  373.346   2.6163  376.797   2.6278 -3.451569 3.708107 
1 1 1    8    2  -12 o  298.900   2.2259 25773.48  383.794 25204.83  527.853 26411.26  559.023  295.408   3.0939  302.393   3.2009 -6.985168 4.451737 
1 1 1    8    3  -12 o  525.526   3.5642 79773.37  1081.80 79773.37  1081.80   0.0000   0.0000  525.526   3.5642  ?   ?       ?      ? 
1 1 1    8    4  -12 o  494.541   3.1746 70640.24  906.715 70640.24  906.715   0.0000   0.0000  494.541   3.1746  ?   ?       ?      ? 
1 1 1    8    5  -12 o  389.927   2.5873 43912.16  582.661 43912.16  582.661   0.0000   0.0000  389.927   2.5873  ?   ?       ?      ? 
1 1 1    8    6  -12 o  156.859   1.7366  7105.65  157.320  7105.65  157.320   0.0000   0.0000  156.859   1.7366  ?   ?       ?      ? 
1 1 1    8    7  -12 o  702.377   4.3483 142523.80  1763.91 142523.80  1763.91   0.0000   0.0000  702.377   4.3483  ?   ?       ?      ? 
1 1 1    8    8  -12 o  535.882   3.3789 82949.81  1045.76 82949.81  1045.76   0.0000   0.0000  535.882   3.3789  ?   ?       ?      ? 
1 1 1    8    9  -12 o  686.927   4.6591 136338.80  1848.40 136338.80  1848.40   0.0000   0.0000  686.927   4.6591  ?   ?       ?      ? 
1 1 1    8   10  -12 o  287.937   2.1685 23944.55  360.615   0.0000   0.0000 23944.55  360.615  ?   ?   287.937   2.1685      ?      ? 
1 1 1    8   11  -12 o  499.536   3.1834 72080.49  918.414   0.0000   0.0000 72080.49  918.414  ?   ?   499.536   3.1834      ?      ? 
1 1 1    8   12  -12 o  420.435   2.7630 51003.37  668.657 50288.23  906.302 51857.66  990.554  417.213   3.7612  423.658   4.0483 -6.445190 5.525935 
1 1 1    8   13  -12 o  390.966   2.6121 44150.63  589.820   0.0000   0.0000 44150.63  589.820  ?   ?   390.966   2.6121      ?      ? 
1 1 1    8   14  -12 o  393.217   2.6164 44661.77  594.195   0.0000   0.0000 44661.77  594.195  ?   ?   393.217   2.6164      ?      ? 
1 1 1    8   15  -12 o   63.794   2.9933  1175.65  110.284  1175.65  110.284   0.0000   0.0000   63.794   2.9933  ?   ?       ?      ? 
1 1 1    8   16  -12 o  448.243   2.9599 58045.03  766.257   0.0000   0.0000 58045.03  766.257  ?   ?   448.243   2.9599      ?      ? 
1 1 1    8   17  -12 o  211.432   2.1746 12912.46  265.548   0.0000   0.0000 12912.46  265.548  ?   ?   211.432   2.1746      ?      ? 
1 1 1    8   18  -12 o  112.687   2.6146  3668.46  170.162   0.0000   0.0000  3668.46  170.162  ?   ?   112.687   2.6146      ?      ? 
1 1 1    8   19  -12 o   65.435   2.6629  1240.67   92.349  1245.28  110.593  1230.06  167.850   65.649   2.9169   65.221   4.4560 0.4282074 5.325822 
1 1 1    8   20  -12 o  284.238   1.8875 23300.99  281.793 23241.67  334.712 23445.36  522.188  283.651   2.0432  284.825   3.1744 -1.174072 3.775097 
1 1 1    8   21  -12 o  226.368   1.7927 14725.47  191.980 14946.51  417.279 14666.12  216.223  227.403   3.1772  225.334   1.6615 2.068924 3.585403 
1 1 1    8   22  -12 o  255.747   2.2219 18951.77  324.461 19217.47  429.412 18598.24  495.329  257.861   2.8834  253.632   3.3815 4.228821 4.443889 
1 1 1    8   23  -12 o   65.310   2.2928  1256.86   82.512  1318.57  103.765  1150.74  136.074   67.545   2.6599   63.075   3.7353 4.469864 4.585624 
1 1 1    8   24  -12 f   89.833   3.4649  2334.04  179.765   0.0000   0.0000  2334.04  179.765  ?   ?    89.833   3.4649      ?      ? 
1 1 1    8   25  -12 o  213.569   2.2108 13180.91  272.698   0.0000   0.0000 13180.91  272.698  ?   ?   213.569   2.2108      ?      ? 
1 1 1    8   26  -12 o   24.090   7.1153 -113.9795  185.994  215.053  274.604 -392.8680  252.815   30.795   11.495   17.384   8.3886 13.41092 14.23069 
1 1 1    8   27  -12 o  102.438   3.5414  3042.78  209.470  2998.54  292.502  3089.35  300.116  101.676   4.9811  103.199   5.0353 -1.523277 7.082780 
1 1 1    8   28  -12 o  108.472   2.8843  3360.82  171.150  3555.56  297.518  3264.50  209.238  110.737   4.6520  106.207   3.4111 4.529297 5.768598 
1 1 1    8   29  -12 o  131.750   2.7676  5056.46  207.982  4829.08  316.179  5229.88  276.134  129.090   4.2409  134.410   3.5571 -5.320038 5.535177 
1 1 1    8   30  -12 o   85.407   3.9812  2114.26  193.674  2152.46  301.002  2087.27  253.003   86.021   6.0587   84.793   5.1663 1.228600 7.962327 
1 1 1    8   31  -12 o  135.429   1.8120  5300.97  140.186  5321.97  214.883  5285.41  184.969  135.649   2.7428  135.210   2.3687 0.4397125 3.624049 
1 1 1    8   32  -12 o  232.884   1.9472 15752.05  253.573 15429.22  411.848 15949.13  321.799  230.904   3.0883  234.864   2.3724 -3.960739 3.894331 
1 1 1    8   33  -12 o   65.761   5.2821  1242.44  197.507  1141.07  254.001  1397.45  314.110   62.481   7.0388   69.041   7.8776 -6.559132 10.56412 
1 1 1    8   34  -12 o   74.715   4.8362  1622.43  208.688   0.0000   0.0000  1622.43  208.688  ?   ?    74.715   4.8362      ?      ? 
1 1 1    8   35  -12 o  138.903   1.9146  5597.64  153.231  5905.94  213.782  5271.91  219.745  142.859   2.5911  134.947   2.8195 7.912140 3.829243 
1 1 1    8   36  -12 o   60.176   4.9736  1055.20  172.853   0.0000   0.0000  1055.20  172.853  ?   ?    60.176   4.9736      ?      ? 
1 1 1    8   37  -12 o   89.041   3.6394  2376.74  176.883  2117.42  294.711  2522.76  221.144   84.959   6.0062   93.122   4.1119 -8.162857 7.278863 
1 1 1    8   38  -12 o  152.191   2.1745  6705.61  191.134   0.0000   0.0000  6705.61  191.134  ?   ?   152.191   2.1745      ?      ? 
1 1 1    8   39  -12 o  193.215   2.0746 10794.10  212.683 10964.24  387.880 10720.96  254.324  194.084   3.4604  192.346   2.2894 1.737564 4.149155 
1 1 1    8   40  -12 o   38.285   8.5250  464.262  183.659   0.0000   0.0000  464.262  183.659  ?   ?    38.285   8.5250      ?      ? 
1 1 1    8   41  -12 o  170.266   2.3139  8418.36  227.542   0.0000   0.0000  8418.36  227.542  ?   ?   170.266   2.3139      ?      ? 
1 1 1    8   42  -12 o   14.263   5.0457 -554.5275  161.989 -489.5872  258.465 -596.5368  207.882   15.938   7.8568   12.588   6.3329 3.350214 10.09136 
1 1 1    8   43  -12 o   91.063   3.5580  2487.87  186.511  2533.47  276.077  2449.57  252.968   91.700   5.2129   90.426   4.8438 1.274376 7.115931 
1 1 1    8   44  -12 o  109.675   2.9616  3585.01  187.523  3536.57  261.054  3636.66  269.547  108.942   4.1491  110.408   4.2271 -1.465958 5.923124 
1 1 1    8   45  -12 o   17.520   5.7753 -149.8469  125.155   41.433  237.302 -223.5555  147.308   22.196   9.7160   12.845   6.2463 9.350896 11.55060 
1 1 1    8   46  -12 o   55.001   5.2324  972.171  154.548  1008.94  273.587  954.939  187.293   54.617   8.6733   55.385   5.8553 -0.7679520 10.46476 
1 1 1    8   47  -12 o   50.156   6.6127  928.931  182.155  1193.85  250.447  631.398  265.415   60.392   7.1805   39.921   11.106 20.47031 13.22531 
1 1 1    8   48  -12 o   54.147   5.1711  915.089  161.713   0.0000   0.0000  915.089  161.713  ?   ?    54.147   5.1711      ?      ? 
1 1 1    8    0  -13 o   66.758   4.4550  1304.36  170.012  1304.36  170.012   0.0000   0.0000   66.758   4.4550   66.758   4.4550 -0.000000 0.000000 
1 1 1    8    1  -13 o  407.414   2.7996 47940.77  658.756 47940.77  658.756   0.0000   0.0000  407.414   2.7996  ?   ?       ?      ? 
1 1 1    8    2  -13 o  278.309   2.1774 22369.57  349.994 22369.57  349.994   0.0000   0.0000  278.309   2.1774  ?   ?       ?      ? 
1 1 1    8    3  -13 o  102.345   2.6587  3025.27  157.156  3025.27  157.156   0.0000   0.0000  102.345   2.6587  ?   ?       ?      ? 
1 1 1    8    4  -13 o  271.363   2.1767 21266.98  341.145 21266.98  341.145   0.0000   0.0000  271.363   2.1767  ?   ?       ?      ? 
1 1 1    8    5  -13 o  196.319   1.7857 11130.51  202.469 11130.51  202.469   0.0000   0.0000  196.319   1.7857  ?   ?       ?      ? 
1 1 1    8    6  -13 o  361.562   2.4459 37756.14  510.749 37756.14  510.749   0.0000   0.0000  361.562   2.4459  ?   ?       ?      ? 
1 1 1    8    7  -13 o  324.875   2.2304 30482.18  418.486   0.0000   0.0000 30482.18  418.486  ?   ?   324.875   2.2304      ?      ? 
1 1 1    8    8  -13 o  135.569   2.1503  5279.37  165.994  5140.57  216.013  5479.53  259.401  133.407   2.8036  137.730   3.2610 -4.322769 4.300524 
1 1 1    8    9  -13 o  219.186   1.9818 13874.96  250.874 13874.96  250.874   0.0000   0.0000  219.186   1.9818  ?   ?       ?      ? 
1 1 1    8   10  -13 o  250.492   2.0852 18121.88  301.662   0.0000   0.0000 18121.88  301.662  ?   ?   250.492   2.0852      ?      ? 
1 1 1    8   11  -13 o  546.124   3.2243 86132.50  1014.87 85353.41  1388.17 87027.00  1487.45  543.485   4.4225  548.764   4.6932 -5.279175 6.448653 
1 1 1    8   12  -13 o  179.184   1.8941  9272.87  196.010  9272.87  196.010   0.0000   0.0000  179.184   1.8941  ?   ?       ?      ? 
1 1 1    8   13  -13 o  334.329   2.4138 32285.38  466.075   0.0000   0.0000 32285.38  466.075  ?   ?   334.329   2.4138      ?      ? 
1 1 1    8   14  -13 o  341.967   1.9327 33531.14  335.862 34306.18  659.320 33259.55  390.298  344.589   3.3129  339.345   1.9915 5.243378 3.865397 
1 1 1    8   15  -13 o  118.425   1.8859  4047.84  128.819  3987.01  177.113  4116.15  187.703  117.482   2.6103  119.368   2.7227 -1.885719 3.771846 
1 1 1    8   16  -13 o  183.257   1.3758  9687.25  139.210  9656.96  172.984  9742.90  234.518  182.856   1.6380  183.657   2.2110 -0.8004608 2.751622 
1 1 1    8   17  -13 o  173.986   2.1793  8831.01  197.819  8549.17  367.116  8946.33  234.826  171.988   3.6959  175.983   2.3104 -3.995575 4.358634 
1 1 1    8   18  -13 o  297.908   2.2575 25642.09  388.355 25376.18  543.889 25918.68  554.704  296.333   3.1779  299.482   3.2070 -3.148834 4.514907 
1 1 1    8   19  -13 o  365.622   2.5276 38622.60  533.735   0.0000   0.0000 38622.60  533.735  ?   ?   365.622   2.5276      ?      ? 
1 1 1    8   20  -13 o  188.076   1.4817 10199.58  160.609  9943.45  219.008 10497.59  236.242  185.528   2.0439  190.624   2.1458 -5.095886 2.963480 
1 1 1    8   21  -13 o  303.281   1.9540 26745.91  314.720 27004.55  378.055 26162.04  568.020  305.731   2.1411  300.830   3.2693 4.900635 3.908014 
1 1 1    8   22  -13 o  126.456   2.4954  4691.23  170.927  4824.80  209.875  4428.12  294.566  129.201   2.8126  123.711   4.1228 5.489677 4.990800 
1 1 1    8   23  -13 o  144.628   1.7872  6029.07  148.490  6197.47  223.074  5895.08  198.979  146.431   2.6377  142.825   2.4122 3.606506 3.574421 
1 1 1    8   24  -13 o  187.160   2.2131 10120.38  236.747 10194.81  362.369 10064.95  312.714  187.741   3.3420  186.578   2.9020 1.162201 4.426147 
1 1 1    8   25  -13 o  121.397   2.4463  4129.01  146.952  4527.26  305.164  4008.78  167.673  125.030   4.2261  117.765   2.4653 7.265091 4.892552 
1 1 1    8   26  -13 o  141.135   2.3836  5755.00  193.489  5855.28  288.096  5672.60  261.154  142.242   3.5069  140.028   3.2292 2.213409 4.767204 
1 1 1    8   27  -13 o  164.954   2.3084  7865.26  219.917   0.0000   0.0000  7865.26  219.917  ?   ?   164.954   2.3084      ?      ? 
1 1 1    8   28  -13 o   70.504   2.9510  1459.16  117.919  1327.74  180.349  1557.29  155.846   67.668   4.6147   73.340   3.6794 -5.671295 5.901952 
1 1 1    8   29  -13 o  259.157   1.8350 19361.40  263.198 19215.65  327.672 19626.43  441.858  257.835   2.2005  260.479   2.9371 -2.643890 3.669985 
1 1 1    8   30  -13 o  233.876   1.5404 15808.67  208.033 15708.78  291.073 15912.98  297.436  233.123   2.1619  234.630   2.1950 -1.506836 3.080837 
1 1 1    8   31  -13 f   99.471   2.8205  2888.68  148.913  2812.22  268.588  2922.61  178.933   98.444   4.7240  100.498   3.0828 -2.053703 5.640923 
1 1 1    8   32  -13 o  140.742   1.7327  5766.90  138.912  5475.24  211.828  5986.96  184.001  137.581   2.6659  143.904   2.2139 -6.323227 3.465305 
1 1 1    8   33  -13 o  111.198   3.4565  3581.96  219.034  3525.89  286.297  3661.11  340.137  110.205   4.4981  112.191   5.2494 -1.985626 6.912994 
1 1 1    8   34  -13 o  137.827   2.9207  5484.33  229.932  5325.00  301.583  5705.51  355.333  135.494   3.8539  140.160   4.3896 -4.665436 5.841339 
1 1 1    8   35  -13 o  135.407   2.4773  5305.87  193.734   0.0000   0.0000  5305.87  193.734  ?   ?   135.407   2.4773      ?      ? 
1 1 1    8   36  -13 o  109.673   3.0376  3498.75  182.410  3501.92  312.229  3497.10  224.754  109.581   4.9335  109.766   3.5453 -0.1854630 6.075244 
1 1 1    8   37  -13 o  115.890   2.9587  3895.03  198.030   0.0000   0.0000  3895.03  198.030  ?   ?   115.890   2.9587      ?      ? 
1 1 1    8   38  -13 f   58.800   5.4393  1016.28  184.717   0.0000   0.0000  1016.28  184.717  ?   ?    58.800   5.4393      ?      ? 
1 1 1    8   39  -13 o   41.899   7.5008  538.482  176.142  449.646  218.457  703.547  297.784   37.424   9.9395   46.374   11.236 -8.950100 15.00165 
1 1 1    8   40  -13 o  126.444   2.8887  4652.91  210.952   0.0000   0.0000  4652.91  210.952  ?   ?   126.444   2.8887      ?      ? 
1 1 1    8   41  -13 o   97.076   3.1674  2732.78  171.373  2985.83  287.346  2593.09  213.498  100.243   4.9633   93.909   3.9364 6.333252 6.334776 
1 1 1    8   42  -13 o   54.333   4.9215  882.499  154.434   0.0000   0.0000  882.499  154.434  ?   ?    54.333   4.9215      ?      ? 
1 1 1    8   43  -13 o   44.262   6.2678  696.326  151.484  476.552  241.269  839.342  194.628   36.461   10.735   52.063   6.4728 -15.60218 12.53551 
1 1 1    8   44  -13 f   78.021   4.2401  1819.73  191.062   0.0000   0.0000  1819.73  191.062  ?   ?    78.021   4.2401      ?      ? 
1 1 1    8   45  -13 o   19.748   6.3491 -46.9724  154.949 -21.5800  245.190 -63.8561  199.933   21.074   9.5068   18.423   8.4182 2.650434 12.69823 
1 1 1    8   46  -13 f   33.028   9.4637  397.177  189.796   0.0000   0.0000  397.177  189.796  ?   ?    33.028   9.4637      ?      ? 
1 1 1    8   47  -13 o   13.437   6.3205 -100.2524  125.810   0.0000   0.0000 -100.2524  125.810  ?   ?    13.437   6.3205      ?      ? 
1 1 1    8    0  -14 f  358.876   2.5876 37089.21  534.783 38800.10  791.589 35652.71  725.340  366.464   3.7410  351.289   3.5760 -0.000000 0.000000 
1 1 1    8    1  -14 o  127.994   3.0597  4761.74  221.156  4876.08  286.213  4592.30  348.402  129.919   3.8144  126.068   4.7851 3.851128 6.119383 
1 1 1    8    2  -14 o  370.209   2.3373 39649.72  472.303 39775.25  580.342 39403.49  812.777  371.096   2.7078  369.322   3.8105 1.773773 4.674600 
1 1 1    8    3  -14 o  152.202   1.9643  6706.39  171.665  6538.87  255.219  6844.80  231.984  150.461   2.9370  153.944   2.6092 -3.483353 3.928612 
1 1 1    8    4  -14 o  259.428   1.9338 19527.29  243.082 19601.62  276.908 19277.60  507.535  260.524   1.8404  258.332   3.4017 2.191650 3.867659 
1 1 1    8    5  -14 o  106.587   2.4134  3287.66  148.115  3367.99  203.224  3196.64  216.323  107.980   3.2587  105.194   3.5606 2.785812 4.826741 
1 1 1    8    6  -14 o  391.673   1.8695 44305.68  422.862 44009.67  594.237 44609.34  601.872  390.348   2.6359  392.998   2.6517 -2.649933 3.738906 
1 1 1    8    7  -14 o  214.196   1.5032 13243.77  185.598 13143.53  254.200 13358.23  271.616  213.329   2.0632  215.062   2.1868 -1.733551 3.006456 
1 1 1    8    8  -14 o  212.409   2.2217 13024.71  272.459 13356.55  391.546 12713.18  379.373  215.030   3.1528  209.787   3.1311 5.242264 4.443455 
1 1 1    8    9  -14 o  284.118   2.3650 23315.12  388.072 23315.12  388.072   0.0000   0.0000  284.118   2.3650  ?   ?       ?      ? 
1 1 1    8   10  -14 o  217.439   2.3370 13655.91  293.485 13655.91  293.485   0.0000   0.0000  217.439   2.3370  ?   ?       ?      ? 
1 1 1    8   11  -14 o  315.312   2.1924 28725.87  399.147 28940.10  559.410 28503.69  569.687  316.512   3.0602  314.113   3.1403 2.398682 4.384779 
1 1 1    8   12  -14 o  211.567   2.2535 12932.05  275.332 12767.76  389.580 13095.99  389.176  210.223   3.2087  212.910   3.1649 -2.686325 4.506951 
1 1 1    8   13  -14 o  104.095   2.1161  3124.69  121.739  3110.74  151.398  3150.20  204.774  103.774   2.5261  104.417   3.3956 -0.6429520 4.232182 
1 1 1    8   14  -14 o   70.112   2.4824  1419.96  100.517  1419.96  100.517   0.0000   0.0000   70.112   2.4824  ?   ?       ?      ? 
1 1 1    8   15  -14 o  242.472   1.9693 16950.26  250.335 17069.20  465.462 16901.85  296.936  243.046   3.3160  241.898   2.1254 1.148148 3.938670 
1 1 1    8   16  -14 o  297.551   2.3021 25575.76  395.605 25575.76  395.605   0.0000   0.0000  297.551   2.3021  ?   ?       ?      ? 
1 1 1    8   17  -14 o  322.251   2.0066 29996.64  373.453   0.0000   0.0000 29996.64  373.453  ?   ?   322.251   2.0066      ?      ? 
1 1 1    8   18  -14 o   90.934   1.7707  2381.31   92.588  2310.76  124.468  2468.71  138.535   89.433   2.4098   92.435   2.5950 -3.002609 3.541337 
1 1 1    8   19  -14 o  213.807   1.7804 13360.44  189.607 13512.31  219.135 12908.07  378.205  216.285   1.7543  211.330   3.0987 4.954666 3.560835 
1 1 1    8   20  -14 o  296.424   1.6414 25390.09  280.973 25172.81  399.088 25603.64  395.647  295.165   2.3411  297.683   2.3013 -2.518005 3.282769 
1 1 1    8   21  -14 o  148.760   1.9246  6393.13  165.356   0.0000   0.0000  6393.13  165.356  ?   ?   148.760   1.9246      ?      ? 
1 1 1    8   22  -14 o  273.224   1.8649 21546.45  269.404 21501.50  321.574 21652.28  493.387  272.797   2.0411  273.652   3.1218 -0.8554077 3.729818 
1 1 1    8   23  -14 o   82.789   2.0448  1981.98   97.613  2132.39  139.192  1836.42  136.926   85.883   2.8062   79.695   2.9749 6.188423 4.089619 
1 1 1    8   24  -14 o  157.088   1.6347  7156.65  143.281  7035.73  234.218  7228.97  181.126  156.006   2.5995  158.170   1.9828 -2.163712 3.269393 
1 1 1    8   25  -14 o  176.703   1.1449  9014.03  111.906  8997.53  139.408  9043.92  187.650  176.487   1.3677  176.918   1.8365 -0.4312592 2.289832 
1 1 1    8   26  -14 o  152.058   2.0487  6743.91  173.715  6914.41  220.328  6463.77  282.414  154.652   2.4668  149.463   3.2716 5.188431 4.097386 
1 1 1    8   27  -14 o  135.123   2.2001  5342.51  163.628  5489.57  204.235  5078.94  273.429  137.789   2.5664  132.457   3.5743 5.332565 4.400208 
1 1 1    8   28  -14 o  129.579   2.3562  4835.73  164.924  4793.25  200.044  4925.88  291.410  128.744   2.6904  130.414   3.8690 -1.669907 4.712426 
1 1 1    8   29  -14 o   52.886   6.2375  814.080  190.518   0.0000   0.0000  814.080  190.518  ?   ?    52.886   6.2375      ?      ? 
1 1 1    8   30  -14 o  120.877   2.9399  4240.83  202.410  4199.08  312.493  4271.02  265.674  120.326   4.4967  121.428   3.7883 -1.102455 5.879772 
1 1 1    8   31  -14 o  158.023   2.1115  7178.08  170.207  7328.04  331.868  7124.55  198.269  159.060   3.6126  156.986   2.1868 2.073959 4.222908 
1 1 1    8   32  -14 o   85.348   2.8675  2121.48  140.715  2257.25  194.424  1972.12  203.917   88.249   3.8147   82.447   4.2825 5.801468 5.735085 
1 1 1    8   33  -14 o   90.870   3.6788  2401.77  192.204  2389.88  259.548  2416.21  286.011   90.654   4.9573   91.087   5.4368 -0.4334106 7.357536 
1 1 1    8   34  -14 o  111.521   2.1655  3601.58  139.449  3649.45  199.547  3555.89  194.954  112.244   3.0782  110.799   3.0466 1.444717 4.330921 
1 1 1    8   35  -14 o   84.799   3.7327  2142.06  171.416  1968.62  292.924  2232.38  211.390   81.967   6.1877   87.631   4.1768 -5.664040 7.465455 
1 1 1    8   36  -14 o  156.385   2.5129  7102.54  225.056  7106.98  341.102  7099.13  299.496  156.370   3.7770  156.400   3.3157 -0.2986145E-01 5.025858 
1 1 1    8   37  -14 o   36.755   7.0132  413.143  143.440   0.0000   0.0000  413.143  143.440  ?   ?    36.755   7.0132      ?      ? 
1 1 1    8   38  -14 f   61.496   3.6566  1148.32  124.940  944.993  194.287  1291.70  163.147   56.523   5.9516   66.470   4.2498 -9.947937 7.313183 
1 1 1    8   39  -14 o   37.504   7.3986  465.395  159.437  490.395  189.546  404.916  294.818   39.319   8.5874   35.689   12.050 3.629639 14.79713 
1 1 1    8   40  -14 o  131.529   2.7150  5034.98  206.240   0.0000   0.0000  5034.98  206.240  ?   ?   131.529   2.7150      ?      ? 
1 1 1    8   41  -14 o   58.678   4.4851  1038.91  149.868  1098.88  234.663  997.605  194.761   59.882   6.7852   57.475   5.8673 2.406384 8.970176 
1 1 1    8   42  -14 o   34.753   6.8959  415.599  144.041  431.338  205.985  400.537  201.499   35.381   9.7623   34.125   9.7422 1.255993 13.79175 
1 1 1    8   43  -14 o   66.249   4.2726  1317.40  151.367  1451.65  275.693  1259.47  181.105   67.853   7.0351   64.645   4.8508 3.208359 8.545299 
1 1 1    8   44  -14 o   34.095   6.1365  434.872  130.295  221.522  225.006  542.506  159.817   26.700   10.302   41.489   6.6697 -14.78834 12.27293 
1 1 1    8   45  -14 o   55.656   5.4004  1079.09  142.396  1161.04  168.160  871.406  267.695   61.872   4.7059   49.440   9.7217 12.43274 10.80076 
1 1 1    8   46  -14 o   45.257   6.4794  720.402  144.116  714.550  166.153  738.177  289.584   47.556   6.0495   42.959   11.460 4.597137 12.95877 
1 1 1    8   47  -14 o   20.647   6.6281 -50.7719  161.778  186.281  282.314 -166.6752  197.404   25.266   10.828   16.027   7.6481 9.239115 13.25628 
1 1 1    8    0  -15 o  289.473   2.4051 24164.08  401.564 25574.53  582.473 22886.48  554.364  297.511   3.3909  281.434   3.4117 -0.000000 0.000000 
1 1 1    8    1  -15 o  333.169   2.0727 32237.68  347.563 31706.15  685.661 32421.49  403.204  331.289   3.5836  335.050   2.0837 -3.760864 4.145330 
1 1 1    8    2  -15 f  213.238   2.0620 13200.31  228.636 12981.78  428.416 13287.34  270.355  211.985   3.4992  214.491   2.1824 -2.505661 4.124048 
1 1 1    8    3  -15 o  524.483   2.3906 79461.55  724.119 78883.98  1019.82 80048.82  1028.36  522.561   3.3791  526.405   3.3825 -3.843872 4.781168 
1 1 1    8    4  -15 o  393.103   1.9358 44633.00  439.474 44474.61  617.493 44795.57  625.608  392.397   2.7247  393.809   2.7506 -1.412384 3.871695 
1 1 1    8    5  -15 o  425.729   2.5677 52520.20  597.314 51872.36  1024.05 52854.25  735.365  423.702   4.1848  427.756   2.9766 -4.054504 5.135455 
1 1 1    8    6  -15 o  505.592   2.6186 73745.86  663.796 74068.20  1324.10 73637.66  767.161  506.268   4.5285  504.916   2.6308 1.351898 5.237206 
1 1 1    8    7  -15 o   90.990   2.8212  2414.93  146.271  2232.44  220.851  2557.53  195.228   87.894   4.3507   94.087   3.5928 -6.192780 5.642345 
1 1 1    8    8  -15 o  288.159   2.2649 23990.86  376.889 23752.64  535.497 24224.68  530.540  286.740   3.2336  289.578   3.1723 -2.837494 4.529813 
1 1 1    8    9  -15 o  304.464   2.3311 26774.75  409.903   0.0000   0.0000 26774.75  409.903  ?   ?   304.464   2.3311      ?      ? 
1 1 1    8   10  -15 o  234.900   2.1158 15942.02  286.965 15857.27  409.775 16023.58  401.997  234.286   3.0284  235.514   2.9554 -1.227646 4.231522 
1 1 1    8   11  -15 o  146.193   2.1396  6173.17  180.651  6173.17  180.651   0.0000   0.0000  146.193   2.1396  ?   ?       ?      ? 
1 1 1    8   12  -15 o  107.753   2.4469  3361.46  151.886  3247.59  220.595  3464.09  209.437  106.012   3.6029  109.494   3.3119 -3.482475 4.893848 
1 1 1    8   13  -15 o  199.356   1.6399 11477.26  188.781 11793.54  269.166 11171.07  264.841  202.059   2.3065  196.654   2.3318 5.405350 3.279860 
1 1 1    8   14  -15 o   84.550   2.6609  2000.24  108.091  1949.92  121.866  2185.87  234.043   82.156   2.5684   86.943   4.6610 -4.787170 5.321751 
1 1 1    8   15  -15 o  152.142   1.5046  6744.01  127.852  6923.19  162.576  6453.59  206.982  154.819   1.8182  149.464   2.3978 5.355682 3.009200 
1 1 1    8   16  -15 o  203.054   1.5202 11908.45  178.224 11827.72  248.586 11993.83  255.656  202.347   2.1271  203.762   2.1724 -1.414413 3.040425 
1 1 1    8   17  -15 o  137.151   1.8499  5451.70  145.880  5231.27  214.083  5642.77  199.317  134.550   2.7549  139.751   2.4695 -5.200684 3.699732 
1 1 1    8   18  -15 o  436.377   2.6336 55119.29  628.536 55240.54  773.766 54884.08  1077.68  437.176   3.0646  435.577   4.2839 1.598938 5.267201 
1 1 1    8   19  -15 o  100.415   1.8481  2915.03   98.350  2916.85  117.683  2910.81  179.095  100.481   2.0279  100.348   3.0902 0.1330490 3.696177 
1 1 1    8   20  -15 o  320.111   1.5273 29636.35  278.190 29435.55  431.414 29779.27  363.969  319.166   2.3404  321.055   1.9629 -1.889038 3.054589 
1 1 1    8   21  -15 o  381.977   1.4460 42181.93  314.570 42307.86  412.319 42006.55  486.588  382.677   1.8656  381.277   2.2097 1.400452 2.891927 
1 1 1    8   22  -15 o  283.746   1.3233 23260.84  216.852 23380.62  307.812 23142.81  305.550  284.471   1.8735  283.021   1.8693 1.450073 2.646585 
1 1 1    8   23  -15 o   77.202   2.8512  1726.71   97.761  1727.32  108.009  1723.94  229.937   77.304   2.4192   77.099   5.1639 0.2051468 5.702459 
1 1 1    8   24  -15 f  186.669   2.0009 10120.75  197.521  9965.81  359.750 10187.61  236.329  185.589   3.3563  187.749   2.1795 -2.160629 4.001885 
1 1 1    8   25  -15 o  147.636   2.1463  6457.31  142.389  6551.05  158.420  6063.18  324.832  150.572   1.8217  144.699   3.8869 5.872940 4.292666 
1 1 1    8   26  -15 o   92.764   2.8555  2516.43  130.614  2447.13  264.746  2538.72  150.161   91.836   4.9915   93.693   2.7750 -1.857422 5.711030 
1 1 1    8   27  -15 o  134.456   2.1510  5278.28  146.140  5330.84  170.089  5130.05  285.627  135.806   2.1686  133.105   3.7155 2.701172 4.302058 
1 1 1    8   28  -15 o   71.725   3.9507  1522.02  137.115  1445.03  283.566  1545.51  156.644   70.394   6.9748   73.056   3.7126 -2.661728 7.901365 
1 1 1    8   29  -15 o  131.285   1.9041  5022.48  138.983  4843.04  227.944  5128.66  175.347  129.376   3.0506  133.194   2.2794 -3.818497 3.808187 
1 1 1    8   30  -15 o   96.213   2.7163  2689.24  150.495  2558.23  217.821  2808.90  208.170   93.950   4.0144   98.475   3.6602 -4.525627 5.432528 
1 1 1    8   31  -15 o  205.850   2.3736 12293.67  280.558 12047.45  417.595 12496.25  378.776  203.934   3.5455  207.765   3.1566 -3.831116 4.747111 
1 1 1    8   32  -15 o  104.006   3.2177  3188.18  176.361  3026.43  319.842  3258.84  211.403  101.956   5.4317  106.056   3.4514 -4.100121 6.435493 
1 1 1    8   33  -15 o  147.880   1.9588  6325.72  167.218  6473.94  241.127  6188.39  232.095  149.545   2.7918  146.215   2.7484 3.329681 3.917681 
1 1 1    8   34  -15 o   71.070   4.0029  1467.14  164.305   0.0000   0.0000  1467.14  164.305  ?   ?    71.070   4.0029      ?      ? 
1 1 1    8   35  -15 o   46.146   6.0381  620.209  119.706  687.213  291.781  606.649  131.261   46.702   10.999   45.590   4.9852 1.112141 12.07616 
1 1 1    8   36  -15 o   93.777   2.3496  2454.01  118.399  2826.62  216.945  2295.94  141.297   98.563   3.8111   88.991   2.7492 9.571785 4.699203 
1 1 1    8   37  -15 o   32.749   8.4844  294.492  209.504  289.748  307.401  298.607  286.291   32.834   12.181   32.664   11.814 0.1690712 16.96886 
1 1 1    8   38  -15 o   75.223   4.4908  1659.98  195.101   0.0000   0.0000  1659.98  195.101  ?   ?    75.223   4.4908      ?      ? 
1 1 1    8   39  -15 o   85.136   4.1004  2168.56  199.382  2113.20  302.931  2210.87  264.830   83.957   6.2475   86.316   5.3124 -2.359009 8.200764 
1 1 1    8   40  -15 o   68.689   3.7543  1367.52  133.268  1505.65  257.968  1317.24  155.646   70.499   6.3357   66.879   4.0296 3.620735 7.508595 
1 1 1    8   41  -15 o   30.547   5.8967  324.414  114.406  163.329  183.668  426.539  146.242   24.565   9.3500   36.530   7.1877 -11.96489 11.79347 
1 1 1    8   42  -15 o   32.870   6.1184  352.433  118.793  481.272  183.337  259.200  155.960   37.844   8.5853   27.895   8.7196 9.949043 12.23679 
1 1 1    8   43  -15 o   21.283   6.4569   71.086  119.436  -2.0655  284.016   86.801  131.641   22.941   10.301   19.625   7.7882 3.315783 12.91380 
1 1 1    8   44  -15 f   28.792   6.2283  288.893  114.295  247.399  168.655  324.135  155.430   26.953   9.1142   30.630   8.4912 -3.676363 12.45670 
1 1 1    8   45  -15 o   48.246   6.0401  731.550  168.304   0.0000   0.0000  731.550  168.304  ?   ?    48.246   6.0401      ?      ? 
1 1 1    8   46  -15 o   20.530   5.9965   91.832  116.597   49.004  164.731  134.829  165.055   19.167   8.2438   21.892   8.7104 -2.725767 11.99295 
1 1 1    8    0  -16 o  305.784   2.3007 27017.28  405.594 26989.07  589.981 27042.57  558.505  305.628   3.3433  305.940   3.1616 -0.000000 0.000000 
1 1 1    8    1  -16 o  216.688   1.4420 13561.73  177.700 13557.60  276.544 13564.63  231.917  216.657   2.2101  216.719   1.8529 -0.6207275E-01 2.884021 
1 1 1    8    2  -16 o  197.842   1.7710 11209.44  183.954 11536.14  343.036 11077.56  217.939  199.838   2.9722  195.846   1.9268 3.992966 3.542094 
1 1 1    8    3  -16 o  209.235   1.6444 12645.13  198.533 12650.88  275.026 12638.88  286.886  209.285   2.2754  209.184   2.3746 0.1012115 3.288787 
1 1 1    8    4  -16 o  379.952   2.6545 41685.65  582.120 41038.43  806.230 42390.54  841.379  376.876   3.7040  383.028   3.8034 -6.152527 5.309049 
1 1 1    8    5  -16 o  194.856   2.1243 10857.19  225.209 11297.77  394.462 10644.13  274.310  197.748   3.4539  191.965   2.4742 5.782486 4.248648 
1 1 1    8    6  -16 o  128.743   2.1620  4748.58  157.758  4989.03  251.015  4591.60  202.820  131.410   3.3074  126.076   2.7854 5.334114 4.324071 
1 1 1    8    7  -16 o  278.151   1.6370 22346.81  262.969 22290.71  370.624 22403.71  373.178  277.800   2.3100  278.503   2.3201 -0.7029724 3.273981 
1 1 1    8    8  -16 o  107.432   2.9213  3291.85  148.693  3259.71  167.332  3412.47  324.181  106.227   2.7275  108.637   5.1668 -2.410538 5.842511 
1 1 1    8    9  -16 o   62.375   2.7332  1134.50   97.481  1220.37  132.241  1032.31  144.258   64.988   3.5233   59.763   4.1795 5.224472 5.466403 
1 1 1    8   10  -16 o  138.378   2.0376  5524.04  162.617  5677.85  237.462  5388.20  223.155  140.189   2.9329  136.568   2.8292 3.620361 4.075106 
1 1 1    8   11  -16 o  353.922   2.0428 35935.55  358.402 35697.54  411.390 36685.07  730.039  351.552   2.0262  356.293   3.5478 -4.741058 4.085587 
1 1 1    8   12  -16 o  409.633   2.5494 48312.93  560.517 48004.21  676.384 48989.71  1001.46  407.613   2.8732  411.652   4.2123 -4.038879 5.098869 
1 1 1    8   13  -16 o   73.959   3.0624  1586.51  129.039  1612.58  169.883  1550.96  198.393   74.688   3.9383   73.231   4.6908 1.457275 6.124896 
1 1 1    8   14  -16 o  100.667   2.6473  2892.84  123.389  2868.60  137.775  2991.05  277.349   99.647   2.3940  101.688   4.7225 -2.041176 5.294627 
1 1 1    8   15  -16 o  193.303   1.8140 10873.11  177.923 10958.68  207.421 10634.79  346.154  194.778   1.8439  191.828   3.1244 2.950439 3.627937 
1 1 1    8   16  -16 o  120.399   2.4774  4185.73  166.952  4170.66  211.298  4210.77  272.377  120.127   3.0456  120.670   3.9083 -0.5432281 4.954813 
1 1 1    8   17  -16 o  143.916   1.5177  6011.97  119.163  6070.83  146.598  5897.33  204.582  144.970   1.7509  142.862   2.4795 2.108719 3.035409 
1 1 1    8   18  -16 o  193.933   1.7935 10813.32  180.770 10742.76  212.995 10995.04  341.808  192.838   1.9125  195.029   3.0346 -2.190918 3.586949 
1 1 1    8   19  -16 o  169.670   2.2410  8350.54  211.092  8423.06  264.916  8224.42  349.370  170.712   2.6869  168.629   3.5873 2.083481 4.482016 
1 1 1    8   20  -16 o  178.817   1.4715  9236.43  151.000  9215.41  202.325  9262.86  226.867  178.594   1.9615  179.041   2.1940 -0.4474182 2.942999 
1 1 1    8   21  -16 o  361.707   1.5644 37732.03  306.688 37588.01  373.576 38029.74  537.109  360.697   1.7933  362.718   2.5639 -2.021790 3.128845 
1 1 1    8   22  -16 o  225.654   1.9196 14737.36  235.268 14676.48  409.059 14767.45  287.595  225.259   3.1443  226.049   2.2029 -0.7901306 3.839158 
1 1 1    8   23  -16 o  255.788   1.9934 18999.71  265.563 19105.65  314.298 18735.34  496.510  257.118   2.1165  254.459   3.3785 2.659149 3.986733 
1 1 1    8   24  -16 o  102.412   2.8683  3049.54  156.078  3008.14  281.971  3067.84  187.406  101.847   4.7937  102.977   3.1511 -1.129997 5.736640 
1 1 1    8   25  -16 o  274.925   1.8406 21873.98  287.129 21752.34  449.501 21957.83  373.188  274.245   2.8380  275.605   2.3445 -1.360168 3.681146 
1 1 1    8   26  -16 o  113.200   2.0822  3645.63  131.959  3471.47  165.485  3949.74  218.675  109.569   2.6151  116.831   3.2408 -7.262138 4.164335 
1 1 1    8   27  -16 o  132.043   1.8240  5026.40  135.110  4978.53  171.354  5105.08  219.672  131.235   2.2608  132.851   2.8630 -1.616043 3.648025 
1 1 1    8   28  -16 o   43.400   5.7780  547.756  144.827   0.0000   0.0000  547.756  144.827  ?   ?    43.400   5.7780      ?      ? 
1 1 1    8   29  -16 o   80.137   3.9421  2030.15  142.858  1606.82  307.804  2146.37  161.281   74.163   7.1863   86.111   3.2429 -11.94846 7.884121 
1 1 1    8   30  -16 o  214.143   1.7108 13262.56  211.564 13446.51  298.782 13077.59  299.612  215.635   2.3991  212.651   2.4395 2.983795 3.421547 
1 1 1    8   31  -16 o  295.227   2.0587 25180.06  328.463 25093.67  399.107 25361.41  578.231  294.563   2.3460  295.891   3.3836 -1.327576 4.117368 
1 1 1    8   32  -16 f  173.035   2.2559  8531.73  205.809  9019.60  383.294  8334.08  243.960  176.348   3.7634  169.722   2.4888 6.626312 4.511898 
1 1 1    8   33  -16 f  121.555   2.6378  4392.73  154.545  4096.62  319.973  4482.82  176.497  118.649   4.6694  124.462   2.4554 -5.812141 5.275631 
1 1 1    8   34  -16 o   32.189   6.7018  302.776  126.644  361.176  222.956  274.957  153.879   34.377   10.367   30.001   8.4957 4.375854 13.40363 
1 1 1    8   35  -16 o   61.584   3.8698  1126.66  130.743  1060.69  219.055  1163.16  162.950   60.014   6.3200   63.154   4.4675 -3.140202 7.739602 
1 1 1    8   36  -16 o   13.160   4.7088 -766.3423  168.678 -1014.9000  285.598 -633.1938  209.031   13.748   6.9749   12.571   6.3279 1.176926 9.417613 
1 1 1    8   37  -16 o   16.090   5.5512 -352.4986  157.046 -485.4092  278.644 -290.6245  190.118   17.261   8.4367   14.918   7.2170 2.342255 11.10237 
1 1 1    8   38  -16 o   85.791   4.3696  2194.93  216.160  2374.90  312.984  2030.80  298.895   89.194   6.0757   82.387   6.2816 6.807137 8.739199 
1 1 1    8   39  -16 f   45.108   5.8803  688.078  114.836  568.930  261.360  716.583  127.837   40.963   10.868   49.252   4.4941 -8.288952 11.76069 
1 1 1    8   40  -16 o  154.000   2.3077  6900.30  189.995  7084.66  342.374  6818.25  228.388  155.055   3.8232  152.946   2.5855 2.109055 4.615421 
1 1 1    8   41  -16 o   52.051   3.8828  833.668  114.580  733.781  172.036  913.299  153.606   48.922   6.0888   55.181   4.8198 -6.259296 7.765603 
1 1 1    8   42  -16 o   68.242   3.5721  1508.09  116.385  1221.23  231.861  1604.71  134.567   62.633   6.4097   73.851   3.1550 -11.21740 7.144110 
1 1 1    8   43  -16 o   18.050   5.7334 -13.6383  114.484 -91.2864  224.738   13.573  133.040   19.038   8.7818   17.062   7.3734 1.976145 11.46679 
1 1 1    8   44  -16 o   26.492   5.7693  231.551   94.546  279.779  155.219  203.102  119.214   28.330   8.6733   24.654   7.6100 3.676966 11.53851 
1 1 1    8   45  -16 o   26.376   6.2751  240.376  117.396  324.037  165.164  154.952  166.896   29.961   8.8978   22.791   8.8508 7.169281 12.55023 
1 1 1    8   46  -16 o   29.642   6.5264  342.394  129.398  411.666  165.870  234.690  206.826   33.636   8.5269   25.647   9.8827 7.988499 13.05279 
1 1 1    8    0  -17 o  333.609   2.1781 32124.49  398.674 32058.92  492.059 32249.76  680.177  333.139   2.5578  334.080   3.5261 -0.000000 0.000000 
1 1 1    8    1  -17 o  162.552   1.5048  7516.79  131.125  7330.66  157.382  7939.26  237.106  159.318   1.7104  165.787   2.4763 -6.469193 3.009606 
1 1 1    8    2  -17 o  271.746   1.8591 21416.29  256.062 21154.84  500.301 21509.09  298.061  270.597   3.2013  272.896   1.8911 -2.299133 3.718141 
1 1 1    8    3  -17 o  102.283   2.3503  3000.17  136.163  2912.31  174.958  3135.12  216.842  100.403   3.0172  104.163   3.6045 -3.760262 4.700613 
1 1 1    8    4  -17 o  145.616   1.5510  6151.67  127.528  5992.80  201.519  6257.80  164.704  144.037   2.4225  147.195   1.9374 -3.157822 3.101924 
1 1 1    8    5  -17 o  140.350   1.9611  5679.13  158.232  5805.57  236.475  5576.62  212.923  141.760   2.8883  138.941   2.6534 2.818771 3.922130 
1 1 1    8    6  -17 o  112.400   3.1387  3615.10  197.473  3799.50  325.396  3507.60  248.456  114.633   4.9149  110.167   3.9049 4.465385 6.277336 
1 1 1    8    7  -17 o   19.773   6.1990 -112.3268  141.282 -206.9982  182.948   27.552  222.380   16.073   7.5789   23.474   9.8117 -7.401058 12.39792 
1 1 1    8    8  -17 o   33.782   8.8684  343.089  175.228   0.0000   0.0000  343.089  175.228  ?   ?    33.782   8.8684      ?      ? 
1 1 1    8    9  -17 o  123.786   2.9863  4429.65  213.470  4433.21  304.403  4426.20  299.443  123.834   4.2562  123.738   4.1901 0.9580231E-01 5.972661 
1 1 1    8   10  -17 o  153.574   2.3258  6889.10  192.658  7026.75  235.077  6607.52  336.223  155.956   2.6099  151.192   3.8505 4.763763 4.651629 
1 1 1    8   11  -17 o  123.289   2.9411  4406.99  207.047  4479.47  274.227  4310.89  315.766  124.483   3.8143  122.095   4.4780 2.388580 5.882267 
1 1 1    8   12  -17 o  277.770   1.9632 22400.08  292.665 22004.45  518.827 22584.72  354.438  275.932   3.2556  279.608   2.1949 -3.676239 3.926389 
1 1 1    8   13  -17 o   64.931   4.0770  1219.15  152.890  1219.15  152.890   0.0000   0.0000   64.931   4.0770  ?   ?       ?      ? 
1 1 1    8   14  -17 o  234.818   1.5556 15919.45  210.550 16087.82  308.349 15772.37  288.198  235.978   2.2625  233.658   2.1356 2.319092 3.111223 
1 1 1    8   15  -17 o  220.381   1.5333 14029.64  194.602 14056.83  286.385 14006.32  265.247  220.576   2.2481  220.187   2.0858 0.3889923 3.066646 
1 1 1    8   16  -17 o  222.247   1.7634 14271.12  202.184 14268.67  237.486 14277.56  385.410  222.246   1.8502  222.249   3.0026 -0.2456665E-02 3.526881 
1 1 1    8   17  -17 o  254.141   1.8469 18577.16  230.429 18497.88  263.473 18835.09  475.236  253.046   1.8028  255.235   3.2239 -2.188553 3.693751 
1 1 1    8   18  -17 o  235.549   1.7229 15967.61  208.557 15888.66  244.116 16180.93  401.286  234.517   1.8023  236.582   2.9369 -2.064743 3.445827 
1 1 1    8   19  -17 o  163.869   1.8907  7688.44  157.666  7607.67  183.261  7918.55  309.311  162.267   1.9555  165.471   3.2366 -3.204147 3.781461 
1 1 1    8   20  -17 o  239.904   1.3455 16624.57  186.426 16624.57  186.426   0.0000   0.0000  239.904   1.3455  ?   ?       ?      ? 
1 1 1    8   21  -17 o  146.411   1.6018  6216.25  133.090  6310.77  173.537  6081.26  207.388  147.779   2.0333  145.043   2.4757 2.736389 3.203655 
1 1 1    8   22  -17 o  159.531   1.8275  7294.81  135.290  7252.30  151.273  7464.70  302.408  158.436   1.6532  160.626   3.2598 -2.190216 3.655040 
1 1 1    8   23  -17 o  194.295   1.6739 10904.31  187.526 11055.27  273.945 10771.19  257.246  195.555   2.4255  193.036   2.3074 2.518799 3.347752 
1 1 1    8   24  -17 o  190.497   1.5299 10497.69  168.022 10651.99  231.807 10326.89  243.891  191.979   2.0907  189.016   2.2341 2.963684 3.059796 
1 1 1    8   25  -17 o   23.674   6.8676   12.859  127.936 -36.3956  144.306  193.750  276.548   17.190   7.5493   30.158   11.474 -12.96786 13.73515 
1 1 1    8   26  -17 o  140.357   2.4216  5762.27  147.736  5793.93  162.484  5611.26  354.895  141.591   1.9870  139.122   4.4169 2.468536 4.843247 
1 1 1    8   27  -17 o  171.692   1.5530  8546.53  146.229  8602.88  180.754  8439.77  248.769  172.541   1.8139  170.842   2.5212 1.698929 3.105936 
1 1 1    8   28  -17 o   66.965   3.9030  1299.40  150.948  1299.40  150.948   0.0000   0.0000   66.965   3.9030  ?   ?       ?      ? 
1 1 1    8   29  -17 o  270.655   2.0642 21188.73  299.939 21223.04  533.912 21172.91  362.557  270.711   3.4149  270.599   2.3199 0.1121826 4.128360 
1 1 1    8   30  -17 o  183.150   2.6256  9725.60  277.159  9675.53  404.511  9769.90  380.513  182.683   3.8340  183.617   3.5882 -0.9338837 5.251110 
1 1 1    8   31  -17 o   54.087   5.1821  860.916  160.088  841.934  243.668  875.333  212.348   53.493   7.8871   54.682   6.7238 -1.189438 10.36418 
1 1 1    8   32  -17 o  202.551   2.5392 11873.98  297.046 11873.98  297.046   0.0000   0.0000  202.551   2.5392  ?   ?       ?      ? 
1 1 1    8   33  -17 o   75.374   4.5072  1686.80  155.361  1635.13  347.958  1699.67  173.630   74.268   8.1122   76.481   3.9308 -2.212990 9.014424 
1 1 1    8   34  -17 o  105.304   2.4445  3297.71  139.432  2988.54  237.370  3460.59  172.289  101.332   4.0560  109.276   2.7299 -7.943634 4.889099 
1 1 1    8   35  -17 o   66.502   5.3035  1444.13  154.188  1121.22  342.207  1526.39  172.714   60.657   9.7683   72.346   4.1336 -11.68905 10.60693 
1 1 1    8   36  -17 o   23.837   6.9538   80.730  150.753 -85.2223  289.811  142.292  176.513   23.291   10.435   24.384   9.1937 -1.093578 13.90759 
1 1 1    8   37  -17 f   57.686   5.2883  1087.55  156.973  1279.18  200.137  781.236  253.039   65.770   5.2688   49.602   9.1708 16.16875 10.57653 
1 1 1    8   38  -17 o   55.820   4.9383  924.236  156.303  834.905  199.470  1066.34  251.583   52.568   6.5701   59.071   7.3743 -6.502632 9.876544 
1 1 1    8   39  -17 o   51.880   4.9223  802.137  147.485   0.0000   0.0000  802.137  147.485  ?   ?    51.880   4.9223      ?      ? 
1 1 1    8   40  -17 o   94.232   3.3793  2791.31  138.430  2444.07  320.016  2871.24  153.538   89.314   6.2040   99.151   2.6812 -9.837112 6.758552 
1 1 1    8   41  -17 o   36.635   7.4629  472.500  153.768  493.732  306.921  465.385  177.675   36.082   12.295   37.188   8.4629 -1.105740 14.92580 
1 1 1    8   42  -17 o   55.469   5.1725  926.684  144.587  867.333  166.058  1112.72  293.994   53.253   5.3992   57.686   8.8243 -4.433491 10.34509 
1 1 1    8   43  -17 o   30.956   6.0614  364.846  118.299  180.746  216.438  443.274  141.268   25.063   9.9736   36.849   6.8913 -11.78576 12.12282 
1 1 1    8   44  -17 o   21.000   6.3620   59.475  143.211 -175.7495  270.867  150.742  168.722   19.211   9.1076   22.788   8.8854 -3.576782 12.72391 
1 1 1    8   45  -17 o   23.827   7.6861  194.670  120.369   0.0000   0.0000  194.670  120.369  ?   ?    23.827   7.6861      ?      ? 
1 1 1    8    0  -18 o  510.212   2.9194 75100.13  795.201 75547.91  1431.47 74900.29  956.338  511.244   4.8490  509.180   3.2523 -0.000000 0.000000 
1 1 1    8    1  -18 o   14.042   4.8552 -317.3873  115.253 -370.7214  141.119 -210.5538  199.727   11.037   5.5027   17.046   8.0007 -6.009652 9.710317 
1 1 1    8    2  -18 o  255.613   1.3042 18865.48  192.492 18584.20  268.944 19160.93  275.630  253.660   1.8358  257.565   1.8529 -3.905472 2.608339 
1 1 1    8    3  -18 o  310.483   2.0127 27693.35  310.926 28161.20  629.307 27542.25  357.625  312.170   3.4905  308.795   2.0053 3.375000 4.025492 
1 1 1    8    4  -18 o  255.582   1.4164 18916.05  204.782 19111.84  264.912 18625.34  322.804  257.236   1.7831  253.928   2.2011 3.307953 2.832752 
1 1 1    8    5  -18 o   76.607   2.7350  1678.68  120.115  1559.99  158.598  1838.33  183.943   73.467   3.7378   79.748   3.9937 -6.280373 5.470033 
1 1 1    8    6  -18 o  251.196   1.4371 18218.27  203.468 18262.68  325.646 18189.83  260.597  251.439   2.2425  250.952   1.7980 0.4872894 2.874289 
1 1 1    8    7  -18 o  126.984   1.7554  4668.41  125.282  4702.60  160.040  4614.31  201.337  127.591   2.1718  126.376   2.7585 1.215836 3.510860 
1 1 1    8    8  -18 o  190.900   1.4482 10527.74  157.284 10531.89  205.475 10521.87  244.428  190.951   1.8632  190.850   2.2176 0.1006165 2.896365 
1 1 1    8    9  -18 o  214.408   1.5485 13279.73  191.752 13335.30  271.568 13224.48  270.791  214.855   2.1885  213.960   2.1914 0.8947144 3.097045 
1 1 1    8   10  -18 o   70.655   3.1727  1446.69  129.175  1344.77  183.619  1546.56  181.757   68.182   4.6630   73.128   4.3035 -4.946396 6.345365 
1 1 1    8   11  -18 o  324.105   2.1349 30519.02  372.864 30812.33  453.344 29905.77  655.526  326.571   2.4036  321.639   3.5289 4.932007 4.269701 
1 1 1    8   12  -18 o  207.162   1.9796 12438.83  217.330 12309.03  394.885 12495.22  260.298  206.355   3.3134  207.970   2.1671 -1.615005 3.959154 
1 1 1    8   13  -18 o  187.647   1.6447 10194.31  177.730  9852.32  258.734 10499.86  244.560  184.656   2.4261  190.637   2.2212 -5.980682 3.289324 
1 1 1    8   14  -18 o  151.191   2.1019  6621.13  169.123  6643.25  203.161  6571.22  305.228  151.631   2.3199  150.751   3.5057 0.8801117 4.203817 
1 1 1    8   15  -18 o  108.990   2.5262  3431.72  157.870  3405.62  210.614  3465.20  238.502  108.526   3.3602  109.453   3.7729 -0.9263763 5.052333 
1 1 1    8   16  -18 o  107.690   2.3527  3355.53  146.168  3307.54  210.797  3399.98  202.857  106.944   3.4129  108.436   3.2392 -1.492104 4.705331 
1 1 1    8   17  -18 o  138.059   1.7849  5496.83  132.453  5541.90  235.678  5476.02  160.135  138.450   2.9474  137.668   2.0140 0.7816010 3.569815 
1 1 1    8   18  -18 o  281.193   1.6208 22850.00  262.820 22833.52  361.860 22868.39  382.354  281.091   2.2290  281.294   2.3535 -0.2025146 3.241531 
1 1 1    8   19  -18 o  275.689   1.6167 21961.08  257.378 22308.30  367.658 21627.39  360.423  277.825   2.2913  273.553   2.2813 4.271851 3.233359 
1 1 1    8   20  -18 o  134.568   2.0076  5224.53  154.627  5324.27  236.000  5149.51  204.681  135.679   3.0117  133.457   2.6555 2.222031 4.015259 
1 1 1    8   21  -18 o  132.960   1.8816  5110.12  144.459  5043.63  201.792  5180.00  206.896  132.074   2.6455  133.846   2.6765 -1.771515 3.763232 
1 1 1    8   22  -18 o  140.604   1.8011  5688.59  144.787  5531.86  190.498  5902.97  222.794  138.332   2.3844  142.875   2.7000 -4.542984 3.602125 
1 1 1    8   23  -18 o  106.077   1.8943  3256.56  115.939  3408.98  163.503  3102.41  164.426  108.579   2.6073  103.575   2.7487 5.004883 3.788608 
1 1 1    8   24  -18 o  130.813   2.0819  4951.59  156.747  4929.97  231.190  4969.99  213.245  130.539   3.0665  131.087   2.8167 -0.5477753 4.163762 
1 1 1    8   25  -18 o  124.522   2.4172  4522.58  135.635  4543.44  150.648  4433.31  311.674  125.379   2.0804  123.665   4.3638 1.713707 4.834390 
1 1 1    8   26  -18 o  201.134   2.1014 11727.19  232.040 11778.62  287.002 11630.13  394.288  201.831   2.4621  200.437   3.4060 1.394348 4.202757 
1 1 1    8   27  -18 o  172.546   2.0275  8485.55  179.626  8338.54  209.538  8893.04  348.852  169.841   2.1362  175.252   3.4466 -5.410767 4.054920 
1 1 1    8   28  -18 o  174.587   2.2734  8902.37  194.007  8972.26  222.101  8677.32  398.526  176.165   2.1830  173.008   3.9885 3.156357 4.546766 
1 1 1    8   29  -18 o   94.904   3.0992  2620.33  169.447  2434.71  241.434  2800.51  237.874   91.564   4.5655   98.245   4.1923 -6.681023 6.198322 
1 1 1    8   30  -18 o  130.545   2.8537  4954.14  196.639  4924.21  359.974  4966.87  234.759  130.133   4.7896  130.958   3.1039 -0.8248444 5.707398 
1 1 1    8   31  -18 o   41.380   9.1983  527.739  214.131   0.0000   0.0000  527.739  214.131  ?   ?    41.380   9.1983      ?      ? 
1 1 1    8   32  -18 o   47.336   6.9478  604.911  167.945  936.258  330.519  489.582  194.994   54.826   10.822   39.845   8.7159 14.98102 13.89566 
1 1 1    8   33  -18 o   99.536   2.6059  2870.11  149.806   0.0000   0.0000  2870.11  149.806  ?   ?    99.536   2.6059      ?      ? 
1 1 1    8   34  -18 o   67.108   4.0846  1312.73  158.313   0.0000   0.0000  1312.73  158.313  ?   ?    67.108   4.0846      ?      ? 
1 1 1    8   35  -18 f   52.643   6.0176  863.772  169.723  898.180  213.400  804.540  279.989   54.928   6.7269   50.357   9.9798 4.571022 12.03529 
1 1 1    8   36  -18 o  158.793   2.3280  7365.42  198.237  7297.09  352.339  7397.06  239.791  157.986   3.8615  159.600   2.6014 -1.613586 4.656041 
1 1 1    8   37  -18 o   74.880   2.9037  1656.42  115.652  1622.56  207.746  1671.62  139.220   74.069   4.8563   75.691   3.1847 -1.621979 5.807437 
1 1 1    8   38  -18 o   31.011   7.3884  324.922  157.382  127.723  322.189  386.721  180.364   27.768   11.720   34.254   8.9999 -6.486204 14.77681 
1 1 1    8   39  -18 o   91.940   3.1698  2478.29  168.314   0.0000   0.0000  2478.29  168.314  ?   ?    91.940   3.1698      ?      ? 
1 1 1    8   40  -18 o   55.028   3.6633  923.317  114.387  869.495  175.666  962.938  150.719   53.361   5.7000   56.694   4.6031 -3.332424 7.326557 
1 1 1    8   41  -18 o   33.823   7.3587  391.220  147.460  484.586  273.247  352.857  175.154   35.772   11.585   31.874   9.0773 3.897663 14.71744 
1 1 1    8   42  -18 o   30.803   7.0548  338.205  141.288  355.184  225.265  327.193  181.406   31.198   10.533   30.409   9.3876 0.7897892 14.10955 
1 1 1    8   43  -18 f   33.693   7.7405  362.509  149.186  638.763  320.180  285.902  168.607   38.983   12.531   28.402   9.0899 10.58015 15.48105 
1 1 1    8   44  -18 o   37.614   6.4523  517.242  139.365  455.209  197.393  578.897  196.792   34.916   9.5246   40.313   8.7070 -5.396507 12.90465 
1 1 1    8   45  -18 o   24.147   8.9585  204.290  166.271  204.290  166.271   0.0000   0.0000   24.147   8.9585  ?   ?       ?      ? 
1 1 1    8    0  -19 o  168.205   2.3865  8161.48  229.024  8040.75  301.069  8327.29  352.834  166.750   3.1287  169.660   3.6045 -0.000000 0.000000 
1 1 1    8    1  -19 o   90.082   2.4873  2349.14  127.562  2322.86  197.208  2368.04  167.267   89.642   3.8092   90.523   3.1994 -0.8813248 4.974526 
1 1 1    8    2  -19 o   54.544   5.8939  926.934  165.178  1022.53  203.684  743.307  282.302   59.431   5.9342   49.657   10.185 9.773502 11.78781 
1 1 1    8    3  -19 f  211.676   1.4580 12990.35  172.771 12747.82  280.018 13139.44  219.541  210.066   2.3081  213.285   1.7823 -3.218994 2.916085 
1 1 1    8    4  -19 o  105.844   2.3849  3237.16  145.746  3211.26  203.367  3264.51  208.980  105.409   3.3405  106.278   3.4047 -0.8687057 4.769804 
1 1 1    8    5  -19 o   73.095   3.5374  1509.62  115.981  1603.85  273.519  1488.96  128.064   74.409   6.3647   71.780   3.0891 2.628845 7.074741 
1 1 1    8    6  -19 o  166.466   1.8966  8004.42  182.344   0.0000   0.0000  8004.42  182.344  ?   ?   166.466   1.8966      ?      ? 
1 1 1    8    7  -19 o  259.295   1.9492 19482.17  276.214 19597.83  340.080 19257.98  473.473  260.456   2.2608  258.134   3.1759 2.321655 3.898393 
1 1 1    8    8  -19 o  441.402   2.0513 56299.03  522.905 56969.74  743.639 55643.05  735.429  444.002   2.9000  438.802   2.9019 5.200562 4.102555 
1 1 1    8    9  -19 o  194.644   1.4545 10947.58  158.195 10933.67  258.724 10955.89  199.920  194.536   2.3028  194.753   1.7774 -0.2167816 2.908947 
1 1 1    8   10  -19 o  315.293   1.7728 28725.11  322.801 28468.53  456.768 28981.10  456.250  313.885   2.5196  316.700   2.4944 -2.815063 3.545527 
1 1 1    8   11  -19 o  106.051   2.9549  3227.21  168.665  3326.31  300.934  3181.81  203.660  107.194   4.8609  104.907   3.3614 2.287247 5.909883 
1 1 1    8   12  -19 o  155.023   1.8367  6946.04  164.421  6837.49  233.213  7053.31  231.845  153.817   2.6252  156.229   2.5695 -2.411270 3.673432 
1 1 1    8   13  -19 o  236.857   1.9036 16261.23  243.345 16082.52  427.585 16346.85  295.948  235.855   3.1390  237.859   2.1543 -2.003845 3.807155 
1 1 1    8   14  -19 o  155.341   1.5873  7014.28  138.548  7158.75  177.545  6789.30  221.557  157.411   1.9529  153.271   2.5029 4.139618 3.174635 
1 1 1    8   15  -19 o  117.815   2.8345  3999.63  187.248  4089.48  305.272  3945.44  237.088  118.841   4.4477  116.789   3.5150 2.052177 5.668946 
1 1 1    8   16  -19 o  138.739   2.3596  5530.73  166.085  5644.93  326.611  5490.90  192.886  139.645   4.0497  137.834   2.4230 1.811264 4.719220 
1 1 1    8   17  -19 o  219.042   1.4403 13878.36  179.838 13953.31  236.408 13775.42  277.061  219.756   1.8627  218.327   2.1973 1.428925 2.880536 
1 1 1    8   18  -19 o  146.555   2.1476  6203.81  168.049  6190.48  202.130  6233.67  302.418  146.344   2.3915  146.767   3.5678 -0.4226532 4.295136 
1 1 1    8   19  -19 o  192.542   1.8541 10613.46  180.257 10504.00  208.646 10935.61  357.937  190.661   1.8948  194.424   3.1876 -3.763840 3.708284 
1 1 1    8   20  -19 o  268.905   1.3943 20927.89  204.275 20992.09  250.535 20800.56  352.829  269.554   1.6093  268.257   2.2773 1.297241 2.788573 
1 1 1    8   21  -19 o  102.658   2.8054  3025.99  159.347  2962.33  197.701  3144.02  269.206  101.172   3.3835  104.143   4.4758 -2.970993 5.610736 
1 1 1    8   22  -19 o   96.847   2.8731  2714.23  146.983  2709.76  175.371  2724.80  269.458   96.776   3.1376   96.918   4.8139 -0.1419296 5.746198 
1 1 1    8   23  -19 o  117.995   2.0205  4066.47  128.456  4139.08  156.509  3916.59  224.858  119.661   2.2647  116.330   3.3468 3.330910 4.041014 
1 1 1    8   24  -19 o  216.741   1.9584 13602.26  235.631 13642.78  295.256 13531.18  391.033  217.233   2.3534  216.248   3.1309 0.9850616 3.916773 
1 1 1    8   25  -19 o  126.923   1.8532  4594.54  128.686  4464.41  157.339  4857.50  223.655  124.274   2.1922  129.572   2.9887 -5.298180 3.706465 
1 1 1    8   26  -19 o   71.445   2.9822  1479.49  122.936  1491.98  178.096  1468.12  169.909   71.727   4.2992   71.162   4.1341 0.5643845 5.964375 
1 1 1    8   27  -19 o  268.413   1.8272 21021.37  247.009 21215.19  286.934 20466.64  485.425  270.934   1.8337  265.892   3.1610 5.041931 3.654416 
1 1 1    8   28  -19 o   73.673   4.4094  1639.55  149.706  1678.92  168.411  1491.27  326.844   76.097   3.8319   71.250   7.9428 4.847000 8.818797 
1 1 1    8   29  -19 o   84.260   2.6084  2052.72  118.656  2041.86  143.991  2075.68  209.448   83.975   2.9689   84.545   4.2895 -0.5693054 5.216713 
1 1 1    8   30  -19 o   63.876   4.8072  1206.19  110.836  1208.88  117.612  1184.85  331.325   64.591   3.1528   63.161   9.0828 1.429523 9.614447 
1 1 1    8   31  -19 o  127.254   3.3964  4748.63  247.769  4410.77  364.942  5037.53  337.466  122.944   5.1396  131.563   4.4413 -8.618546 6.792709 
1 1 1    8   32  -19 o   66.532   4.2474  1305.48  116.773  1308.06  126.886  1291.17  298.489   67.136   3.2725   65.928   7.8392 1.207726 8.494864 
1 1 1    8   33  -19 o   77.960   4.3641  1728.69  158.238  1902.68  357.337  1686.26  176.485   79.846   7.7489   76.074   4.0168 3.771645 8.728123 
1 1 1    8   34  -19 o  168.671   2.7951  8258.60  272.280  8258.60  272.280   0.0000   0.0000  168.671   2.7951  ?   ?       ?      ? 
1 1 1    8   35  -19 f   75.244   4.0045  1581.63  148.116  1866.60  314.525  1500.43  167.898   78.884   6.9037   71.604   4.0600 7.280006 8.008998 
1 1 1    8   36  -19 o   45.687   5.2499  597.999  130.819  830.928  225.457  479.774  160.623   52.210   7.4770   39.165   7.3716 13.04491 10.49979 
1 1 1    8   37  -19 o   65.290   4.8262  1281.06  180.578  1127.61  238.579  1486.89  276.305   60.798   6.7945   69.781   6.8559 -8.983425 9.652390 
1 1 1    8   38  -19 o   22.348   6.5803   78.289  140.531   74.831  204.663   81.375  193.305   22.468   9.4038   22.228   9.2071 0.2400742 13.16065 
1 1 1    8   39  -19 o   46.979   6.1180  678.355  165.995   0.0000   0.0000  678.355  165.995  ?   ?    46.979   6.1180      ?      ? 
1 1 1    8   40  -19 o   57.412   5.5376  1043.14  180.952  1195.95  286.946  942.252  233.157   60.532   8.2079   54.293   7.4356 6.238522 11.07512 
1 1 1    8   41  -19 o   36.692   7.5396  502.570  172.567  400.576  246.617  600.420  241.555   32.803   11.022   40.582   10.291 -7.779793 15.07926 
1 1 1    8   42  -19 f   51.951   4.5313  852.338  135.833  889.781  197.333  818.621  187.255   53.007   6.4458   50.896   6.3704 2.111576 9.062633 
1 1 1    8   43  -19 o   34.044   5.3851  341.769  105.149  628.662  183.795  202.184  128.201   43.718   7.2792   24.370   7.9380 19.34834 10.77024 
1 1 1    8   44  -19 o   15.740   5.3651 -127.5469  112.072 -129.1761  250.118 -127.1376  125.360   18.679   8.8242   12.802   6.1050 5.876739 10.73019 
1 1 1    8    0  -20 o  218.679   2.0145 13758.71  239.983 13634.48  293.537 14009.11  416.747  217.227   2.3403  220.131   3.2796 -0.000000 0.000000 
1 1 1    8    1  -20 o  102.821   2.9490  3030.41  165.436  2976.32  202.170  3140.02  287.821  101.469   3.4498  104.172   4.7840 -2.702705 5.898094 
1 1 1    8    2  -20 o  157.587   1.5102  7170.75  135.682  7195.78  209.521  7152.68  178.061  157.819   2.2987  157.356   1.9593 0.4632263 3.020410 
1 1 1    8    3  -20 o  211.936   1.8200 13039.87  208.530 13154.78  254.216 12803.50  364.594  213.393   2.0627  210.480   2.9993 2.913574 3.640098 
1 1 1    8    4  -20 f  231.639   1.5176 15493.92  197.697 15469.30  252.244 15533.13  318.316  231.412   1.8873  231.867   2.3770 -0.4545135 3.035175 
1 1 1    8    5  -20 o  189.019   1.4954 10299.23  160.868 10451.77  250.637 10192.37  209.779  190.200   2.2817  187.838   1.9337 2.362030 2.990860 
1 1 1    8    6  -20 o  107.816   1.7010  3336.05  105.120  3535.85  160.546  3186.10  139.080  110.620   2.5129  105.012   2.2932 5.607941 3.401977 
1 1 1    8    7  -20 o   90.560   2.4969  2384.15  128.290  2444.15  167.674  2299.42  199.242   91.953   3.1573   89.166   3.8690 2.786804 4.993738 
1 1 1    8    8  -20 o  163.230   1.5156  7708.81  140.389  7757.78  182.625  7638.05  219.504  163.872   1.9296  162.588   2.3376 1.284561 3.031130 
1 1 1    8    9  -20 o  177.670   1.7121  9125.40  175.447  9199.72  242.468  9043.71  254.184  178.433   2.3528  176.907   2.4878 1.525848 3.424196 
1 1 1    8   10  -20 o  124.880   2.5012  4483.51  169.503  4433.42  206.360  4587.40  297.183  123.845   2.8851  125.915   4.0866 -2.070198 5.002394 
1 1 1    8   11  -20 o  179.840   2.1349  9221.75  200.956  9051.83  237.227  9653.52  378.147  176.988   2.3208  182.691   3.5839 -5.702820 4.269713 
1 1 1    8   12  -20 o  197.016   1.4602 11228.77  162.917 11285.14  210.916 11145.39  256.521  197.641   1.8478  196.392   2.2616 1.249634 2.920449 
1 1 1    8   13  -20 o  156.469   2.6406  7076.85  238.626   0.0000   0.0000  7076.85  238.626  ?   ?   156.469   2.6406      ?      ? 
1 1 1    8   14  -20 f  135.079   1.5651  5284.26  121.773  5463.48  167.973  5085.75  176.790  137.503   2.1152  132.656   2.3075 4.846893 3.130270 
1 1 1    8   15  -20 o  216.538   1.5083 13524.34  183.596 13439.44  233.804 13660.89  296.521  215.671   1.8770  217.405   2.3616 -1.734055 3.016674 
1 1 1    8   16  -20 o  105.399   2.3205  3204.11  139.084  3268.45  217.514  3159.62  180.897  106.276   3.5438  104.523   2.9966 1.752747 4.640941 
1 1 1    8   17  -20 o  129.398   2.3412  4846.45  161.791  4849.51  194.779  4839.63  290.564  129.512   2.6040  129.285   3.8914 0.2276611 4.682332 
1 1 1    8   18  -20 o  144.024   2.4750  6027.99  189.926  5939.69  341.352  6067.58  228.574  143.193   4.1276  144.854   2.7322 -1.660873 4.949907 
1 1 1    8   19  -20 o  131.218   2.1397  4979.62  162.107  5155.58  231.067  4809.07  227.483  133.503   2.9968  128.934   3.0549 4.568802 4.279412 
1 1 1    8   20  -20 o  156.466   1.8716  7077.58  168.273  7095.36  251.050  7063.06  226.751  156.633   2.7752  156.298   2.5119 0.3358154 3.743186 
1 1 1    8   21  -20 o  255.923   1.8722 18919.00  267.004 18860.80  335.806 19019.04  440.266  255.435   2.2763  256.412   2.9730 -0.9768829 3.744328 
1 1 1    8   22  -20 o  157.701   1.6359  7135.68  146.537  7478.01  231.408  6906.52  189.335  160.821   2.4914  154.581   2.1208 6.240677 3.271823 
1 1 1    8   23  -20 o   69.741   3.1871  1406.26  127.591  1447.68  192.504  1373.81  170.395   70.640   4.7185   68.842   4.2857 1.797935 6.374273 
1 1 1    8   24  -20 o   21.480   5.8639   58.158  117.518  181.314  142.621 -202.2957  207.406   25.418   8.3770   17.542   8.2076 7.875933 11.72771 
1 1 1    8   25  -20 o  111.720   2.0041  3586.57  124.344  3523.77  155.124  3699.45  207.971  110.389   2.4332  113.051   3.1852 -2.662186 4.008248 
1 1 1    8   26  -20 o  127.785   2.1874  4721.10  161.435  4721.10  161.435   0.0000   0.0000  127.785   2.1874  ?   ?       ?      ? 
1 1 1    8   27  -20 o  112.805   3.1246  3883.31  143.065  3965.66  155.575  3432.14  364.138  117.101   2.3004  108.509   5.8105 8.591576 6.249298 
1 1 1    8   28  -20 o   74.904   2.6580  1623.73  114.985  1623.73  114.985   0.0000   0.0000   74.904   2.6580  ?   ?       ?      ? 
1 1 1    8   29  -20 o  103.779   3.4488  3166.40  197.061  3240.82  245.875  3032.75  329.512  105.637   4.0301  101.921   5.5979 3.715645 6.897661 
1 1 1    8   30  -20 o   80.891   3.0018  1936.84  126.304  1983.13  150.144  1824.79  233.598   82.706   3.1433   79.077   5.1149 3.628624 6.003519 
1 1 1    8   31  -20 o  157.546   1.9421  7202.47  175.847  7093.18  260.855  7293.51  238.073  156.420   2.8875  158.672   2.5979 -2.252609 3.884173 
1 1 1    8   32  -20 o   36.241   7.9836  379.788  180.552  291.948  225.002  538.635  302.573   31.449   10.528   41.032   12.005 -9.582634 15.96723 
1 1 1    8   33  -20 o   61.021   6.1676  1102.66  217.358   0.0000   0.0000  1102.66  217.358  ?   ?    61.021   6.1676      ?      ? 
1 1 1    8   34  -20 o  138.151   2.8614  5578.14  228.166  5758.79  329.839  5412.38  315.960  140.283   4.0711  136.019   4.0220 4.263245 5.722829 
1 1 1    8   35  -20 o  109.645   2.4965  3513.78  158.012  3661.25  224.837  3369.87  222.113  111.937   3.4778  107.352   3.5824 4.584946 4.992914 
1 1 1    8   36  -20 o  114.263   2.7553  3756.78  168.851  4061.89  306.093  3623.32  202.439  117.171   4.5232  111.355   3.1477 5.816055 5.510698 
1 1 1    8   37  -20 o   13.112   4.7320 -504.4058  133.634 -688.6389  291.619 -455.4345  150.350   15.666   7.8263   10.558   5.3212 5.107974 9.463965 
1 1 1    8   38  -20 o   65.642   4.8762  1242.07  150.068  1532.07  340.640  1172.23  167.164   68.691   8.5864   62.594   4.6241 6.096863 9.752384 
1 1 1    8   39  -20 f   56.875   4.5975  978.013  143.217  1111.23  250.760  913.521  174.472   59.071   7.3502   54.679   5.5249 4.391895 9.195084 
1 1 1    8   40  -20 o   74.431   4.6730  1833.46  180.729  2001.23  220.714  1492.08  314.844   81.407   4.6944   67.455   8.0815 13.95135 9.346049 
1 1 1    8   41  -20 o   21.557   6.6243   40.323  159.612 -167.0889  278.196  142.100  194.877   19.787   9.3351   23.327   9.4013 -3.539726 13.24869 
1 1 1    8   42  -20 o   78.311   3.0362  1850.51  137.179  1961.83  198.936  1749.59  189.416   80.567   4.2753   76.055   4.3122 4.512207 6.072365 
1 1 1    8   43  -20 o   19.802   6.4533 -78.0142  148.285  145.426  288.127 -158.5190  172.948   24.599   10.738   15.006   7.1600 9.593108 12.90658 
1 1 1    8    0  -21 o   88.358   3.8147  2279.11  192.057  2322.09  287.224  2244.35  258.292   89.067   5.6354   87.648   5.1430 -0.000000 0.000000 
1 1 1    8    1  -21 o  100.059   1.8688  2911.88  106.379  3010.12  140.255  2778.80  163.231  102.066   2.3793   98.052   2.8824 4.014221 3.737594 
1 1 1    8    2  -21 o  125.778   1.6805  4570.60  122.016  4374.57  171.355  4772.23  173.783  123.042   2.4113  128.515   2.3414 -5.473053 3.361042 
1 1 1    8    3  -21 o   94.578   2.5729  2546.37  126.162  2496.68  147.970  2678.67  241.446   92.944   2.7566   96.212   4.3452 -3.267700 5.145790 
1 1 1    8    4  -21 o   28.000   7.1401  190.519  146.497  202.418  224.773  181.733  193.157   28.896   10.465   27.104   9.7162 1.791164 14.28023 
1 1 1    8    5  -21 o  115.626   1.8006  3851.66  119.697  3745.72  160.805  3983.30  179.246  113.852   2.4455  117.400   2.6436 -3.548149 3.601293 
1 1 1    8    6  -21 f  116.212   1.5850  3903.39  106.339  3949.72  148.841  3855.07  151.980  116.918   2.2042  115.506   2.2782 1.411682 3.170010 
1 1 1    8    7  -21 o   84.194   2.5176  2052.48  121.722  2072.40  164.062  2028.10  181.543   84.656   3.3556   83.731   3.7541 0.9242783 5.035199 
1 1 1    8    8  -21 o  229.126   1.3981 15215.10  181.890 15433.96  237.399 14903.98  283.043  231.139   1.7784  227.114   2.1579 4.025040 2.796237 
1 1 1    8    9  -21 o  150.502   1.4097  6543.06  122.517  6678.79  174.599  6411.41  171.961  152.039   1.9884  148.964   1.9988 3.074844 2.819354 
1 1 1    8   10  -21 o  131.499   2.3632  4959.20  164.169  4898.40  195.362  5105.32  302.854  130.180   2.5984  132.818   3.9481 -2.638443 4.726472 
1 1 1    8   11  -21 o  356.942   2.1719 36698.20  429.095 36341.50  533.971 37348.45  720.950  354.572   2.6075  359.311   3.4742 -4.738434 4.343835 
1 1 1    8   12  -21 o  220.492   1.4154 14049.07  176.408 14042.03  279.756 14053.72  227.292  220.432   2.1975  220.552   1.7844 -0.1199799 2.830701 
1 1 1    8   13  -21 f   77.677   2.6691  1760.11  117.888  1661.70  180.585  1833.20  155.623   75.752   4.1276   79.601   3.3851 -3.849327 5.338184 
1 1 1    8   14  -21 o  227.266   1.3390 14924.18  175.744 15022.00  248.666 14826.57  248.412  228.010   1.8883  226.521   1.8988 1.488831 2.677913 
1 1 1    8   15  -21 o  196.882   1.6353 11206.25  185.556 11236.12  254.494 11172.34  271.126  197.168   2.2349  196.596   2.3879 0.5727234 3.270574 
1 1 1    8   16  -21 o   95.713   2.6585  2700.29  140.425  2828.27  176.849  2481.91  231.013   98.878   3.0968   92.548   4.3220 6.329689 5.316952 
1 1 1    8   17  -21 o   72.588   3.4502  1586.11  129.179  1397.29  237.826  1665.12  153.854   69.329   5.9396   75.847   3.5123 -6.517914 6.900374 
1 1 1    8   18  -21 o  123.537   2.1957  4396.33  155.400  4560.52  237.023  4272.54  205.805  125.539   3.2691  121.536   2.9320 4.003677 4.391312 
1 1 1    8   19  -21 f   56.875   4.0974  905.143  131.246  792.011  164.798  1101.34  217.022   52.218   5.4645   61.531   6.1069 -9.313835 8.194812 
1 1 1    8   20  -21 o   81.591   4.0611  1963.26  174.287  2005.53  208.615  1865.58  317.134   83.180   4.3425   80.001   6.8638 3.179283 8.122114 
1 1 1    8   21  -21 f  224.681   1.8316 14702.69  217.779 14863.35  260.998 14334.47  395.139  226.779   1.9927  222.583   3.0738 4.196579 3.663212 
1 1 1    8   22  -21 o   22.215   6.9171 -41.4992  164.540 -334.3277  334.931   51.654  188.907   22.091   10.366   22.338   9.1615 -0.2472229 13.83422 
1 1 1    8   23  -21 o  100.215   3.2153  2923.31  173.329  2887.36  306.230  2940.26  210.249   99.675   5.3196  100.757   3.6131 -1.082024 6.430573 
1 1 1    8   24  -21 o   94.296   2.6429  2606.58  136.155  2481.26  231.132  2673.18  168.492   92.486   4.3271   96.106   3.0356 -3.620399 5.285713 
1 1 1    8   25  -21 o  106.952   2.6901  3322.23  150.613  3300.21  279.627  3331.23  178.760  106.616   4.5412  107.288   2.8849 -0.6722870 5.380105 
1 1 1    8   26  -21 o   85.798   3.5519  2209.85  162.490  1954.56  282.809  2335.66  198.531   81.850   5.9826   89.745   3.8303 -7.895348 7.103703 
1 1 1    8   27  -21 o  152.688   2.0307  6763.12  178.332  6595.26  262.619  6906.76  242.929  150.906   3.0132  154.470   2.7230 -3.563705 4.061332 
1 1 1    8   28  -21 o   58.566   4.4573  997.598  150.765  997.598  150.765   0.0000   0.0000   58.566   4.4573  ?   ?       ?      ? 
1 1 1    8   29  -21 o   47.647   7.3795  759.665  189.913  872.129  230.032  518.903  336.570   54.355   7.3276   40.939   12.811 13.41665 14.75895 
1 1 1    8   30  -21 o  177.965   1.6780  9180.58  169.946  9229.56  222.479  9111.95  263.332  178.577   2.1571  177.353   2.5709 1.224747 3.355987 
1 1 1    8   31  -21 o   36.766   5.8556  434.927  108.459  458.754  124.280  358.807  222.133   39.525   5.4443   34.007   10.369 5.517986 11.71128 
1 1 1    8   32  -21 f   33.439   7.2343  321.664  125.219  311.617  137.000  372.661  308.652   31.631   7.5951   35.247   12.315 -3.616028 14.46868 
1 1 1    8   33  -21 o  104.962   2.3004  3236.23  136.981  3371.99  179.968  3049.27  211.199  107.694   2.8935  102.229   3.5771 5.465614 4.600860 
1 1 1    8   34  -21 o   21.633   6.8145 -101.7422  158.709  111.182  291.891 -191.1117  189.105   27.026   11.264   16.241   7.6728 10.78430 13.62893 
1 1 1    8   35  -21 o   41.852   6.9572  707.756  161.601  238.301  349.302  835.598  182.281   31.030   12.558   52.674   5.9918 -21.64414 13.91437 
1 1 1    8   36  -21 o   77.531   3.8661  1788.69  162.913  1875.05  285.244  1746.88  198.467   78.381   6.3012   76.682   4.4814 1.699249 7.732252 
1 1 1    8   37  -21 o   19.316   6.4055 -144.5522  158.645 -83.8601  300.737 -167.9536  186.742   22.486   10.293   16.146   7.6268 6.340267 12.81105 
1 1 1    8   38  -21 o   52.976   5.7119  929.123  142.834  886.186  285.790  943.419  164.907   50.153   10.213   55.798   5.1172 -5.644558 11.42373 
1 1 1    8   39  -21 o   21.074   6.9289 -120.8150  204.568 -182.0489  299.161 -67.0363  280.359   20.549   9.6904   21.599   9.9062 -1.050024 13.85773 
1 1 1    8   40  -21 o   64.005   5.1421  1319.88  164.873  1321.40  322.116  1319.34  191.918   62.275   8.9560   65.735   5.0551 -3.460293 10.28418 
1 1 1    8   41  -21 o   27.160   6.4388  250.461  139.125   16.618  217.948  411.273  180.739   20.548   9.1388   33.773   9.0729 -13.22551 12.87767 
1 1 1    8   42  -21 f   24.653   7.3138  168.900  148.964  177.262  352.562  167.082  164.355   26.317   11.668   22.989   8.8221 3.328789 14.62765 
1 1 1    8    0  -22 o   43.888   7.8734  660.084  157.610  666.160  186.601  644.959  294.410   46.188   7.6184   41.588   13.781 -0.000000 0.000000 
1 1 1    8    1  -22 o   81.830   2.3218  1941.08  108.948  1895.31  163.103  1977.97  146.397   80.949   3.4887   82.711   3.0647 -1.761497 4.643632 
1 1 1    8    2  -22 o  166.873   1.5982  8007.27  149.626  7883.92  189.525  8211.33  243.780  165.188   1.9866  168.557   2.5042 -3.369049 3.196459 
1 1 1    8    3  -22 o   73.770   2.6598  1569.20  111.022  1600.64  176.414  1548.58  142.860   74.366   4.1074   73.174   3.3804 1.192657 5.319626 
1 1 1    8    4  -22 o  118.119   1.6289  4031.72  111.062  4037.82  159.753  4026.01  154.510  118.204   2.3401  118.034   2.2665 0.1701965 3.257795 
1 1 1    8    5  -22 o  371.784   2.4302 40218.45  430.461 39561.07  919.081 40403.18  487.202  369.651   4.3050  373.917   2.2561 -4.265594 4.860357 
1 1 1    8    6  -22 o  124.039   2.2277  4422.77  156.371  4579.67  249.199  4320.88  200.831  125.826   3.4292  122.252   2.8444 3.574509 4.455311 
1 1 1    8    7  -22 o  269.535   1.3614 20986.95  211.891 20795.92  296.577 21186.14  302.841  268.283   1.9141  270.787   1.9364 -2.503662 2.722765 
1 1 1    8    8  -22 o  195.565   1.5652 11048.25  176.417 11118.34  258.323 10986.99  241.507  196.141   2.2804  194.988   2.1445 1.153076 3.130377 
1 1 1    8    9  -22 o  212.328   1.4724 12987.98  177.188 12825.03  228.789 13232.17  280.084  210.683   1.8803  213.974   2.2664 -3.290771 2.944851 
1 1 1    8   10  -22 o  273.279   2.2922 21527.64  322.294 21437.31  377.604 21770.02  618.547  272.334   2.4008  274.225   3.9055 -1.890961 4.584418 
1 1 1    8   11  -22 o  243.664   1.9456 17096.20  234.320 17030.42  268.788 17304.47  478.281  242.772   1.9170  244.555   3.3863 -1.783020 3.891243 
1 1 1    8   12  -22 o  221.636   1.6318 14200.64  208.425 14230.81  285.679 14166.30  304.761  221.895   2.2292  221.377   2.3836 0.5174561 3.263592 
1 1 1    8   13  -22 o  136.790   1.7620  5419.14  137.280  5349.82  211.809  5469.35  180.268  136.021   2.6962  137.558   2.2691 -1.537720 3.523948 
1 1 1    8   14  -22 f  222.172   1.6266 14268.04  208.692 14261.94  297.133 14273.98  293.177  222.123   2.3162  222.220   2.2843 -0.9677124E-01 3.253136 
1 1 1    8   15  -22 o  195.391   1.6344 11101.29  179.553 11332.52  230.350 10743.27  286.630  198.024   2.0141  192.759   2.5747 5.264359 3.268884 
1 1 1    8   16  -22 o  113.262   2.5874  3598.60  142.056  3928.38  303.573  3506.14  160.741  116.405   4.5155  110.120   2.5274 6.284241 5.174704 
1 1 1    8   17  -22 o   88.621   2.8532  2270.36  145.823  2189.84  199.796  2362.15  213.318   86.947   3.9788   90.295   4.0905 -3.348030 5.706406 
1 1 1    8   18  -22 o  106.539   2.4300  3249.54  131.067  3211.59  151.885  3360.21  259.380  105.393   2.4953  107.685   4.1706 -2.291168 4.860062 
1 1 1    8   19  -22 o  199.531   2.1133 11474.25  229.938 11386.74  281.523 11649.62  398.526  198.451   2.4563  200.610   3.4397 -2.158676 4.226664 
1 1 1    8   20  -22 o  171.156   2.0920  8479.53  204.806  8507.10  271.723  8443.26  311.642  171.501   2.7433  170.812   3.1590 0.6891632 4.183917 
1 1 1    8   21  -22 o   88.562   3.6343  2268.71  184.306  2208.53  243.768  2349.03  281.603   87.226   4.8389   89.898   5.4238 -2.672226 7.268572 
1 1 1    8   22  -22 o   74.603   3.6928  1610.86  157.730  1666.83  241.150  1569.01  208.518   75.704   5.5155   73.503   4.9120 2.200867 7.385671 
1 1 1    8   23  -22 o   59.346   5.6341  923.286  180.698  1376.90  336.592  739.620  214.177   68.427   8.5170   50.264   7.3778 18.16294 11.26819 
1 1 1    8   24  -22 o  247.827   2.0693 17771.60  285.679 17755.09  359.318 17799.97  471.003  247.747   2.5112  247.907   3.2896 -0.1598663 4.138602 
1 1 1    8   25  -22 o  147.539   2.3875  6310.06  198.098  6296.05  318.515  6318.90  252.977  147.348   3.7428  147.730   2.9650 -0.3827362 4.774957 
1 1 1    8   26  -22 o   70.080   4.9813  1516.74  169.689  1299.40  338.085  1589.93  196.191   66.220   8.8400   73.941   4.5942 -7.720528 9.962513 
1 1 1    8   27  -22 o   67.543   4.4646  1325.87  112.061  1322.40  119.273  1351.97  327.227   67.552   3.0572   67.534   8.3896 0.1857758E-01 8.929289 
1 1 1    8   28  -22 o  133.104   2.1939  5128.23  167.592  5058.32  224.083  5216.98  252.472  132.105   2.9370  134.103   3.2598 -1.998276 4.387720 
1 1 1    8   29  -22 o   93.837   2.5783  2646.09  129.901  2818.93  160.037  2312.28  222.402   98.607   2.8101   89.067   4.3235 9.539627 5.156516 
1 1 1    8   30  -22 o  103.812   2.8647  3029.77  156.213  2882.46  183.734  3414.01  296.739   99.610   3.1938  108.013   4.7568 -8.403442 5.729475 
1 1 1    8   31  -22 o   86.315   2.5805  2250.65  114.831  2359.19  136.708  1990.57  211.620   90.170   2.6251   82.459   4.4436 7.710884 5.161062 
1 1 1    8   32  -22 o   47.927   3.8714  671.572  107.161  671.572  107.161   0.0000   0.0000   47.927   3.8714  ?   ?       ?      ? 
1 1 1    8   33  -22 o   33.454   5.9577  382.360  113.562  436.842  133.690  241.183  215.207   38.199   6.0598   28.708   10.259 9.491396 11.91546 
1 1 1    8   34  -22 o   43.436   4.2930  509.878   97.941  436.726  113.668  720.717  192.976   38.282   5.1411   48.589   6.8767 -10.30645 8.586036 
1 1 1    8   35  -22 o   40.764   7.4179  577.342  167.744  554.817  302.977  587.299  201.435   39.175   12.138   42.352   8.5301 -3.177128 14.83577 
1 1 1    8   36  -22 o  153.874   2.2506  6851.63  173.064  7158.28  349.272  6751.84  199.243  155.491   3.8893  152.258   2.2658 3.233871 4.501160 
1 1 1    8   37  -22 o   78.874   4.4643  1901.51  172.821  1985.70  354.263  1875.22  197.976   78.546   7.8094   79.202   4.3280 -0.6565781 8.928541 
1 1 1    8   38  -22 o   38.407   7.7288  544.432  176.148  523.315  223.204  579.301  286.811   38.121   10.010   38.694   11.779 -0.5731430 15.45754 
1 1 1    8   39  -22 o   73.000   4.8794  1798.04  133.731  1545.69  357.612  1839.07  144.193   67.071   9.2319   78.929   3.1632 -11.85765 9.758821 
1 1 1    8   40  -22 o   48.045   7.0787  805.738  184.502  1031.46  310.065  682.002  229.568   52.531   10.586   43.560   9.4009 8.971634 14.15749 
1 1 1    8   41  -22 f   43.226   7.0454  658.365  165.005  888.010  288.447  546.664  201.171   47.812   10.712   38.640   9.1549 9.171200 14.09083 
1 1 1    8    0  -23 o   15.121   7.2732 -163.4588  181.349 -244.1031  228.307 -25.5869  298.518   12.163   8.5337   18.079   11.780 -0.000000 0.000000 
1 1 1    8    1  -23 o  207.242   1.3122 12409.47  157.055 12247.84  221.909 12571.69  222.309  205.889   1.8662  208.594   1.8453 -2.705566 2.624470 
1 1 1    8    2  -23 o  163.672   1.6351  7737.98  154.404  7834.50  224.119  7650.77  213.023  164.640   2.3570  162.704   2.2670 1.936569 3.270239 
1 1 1    8    3  -23 o   27.971   6.6597  213.572  124.240  215.801  155.607  209.653  206.346   27.426   8.7277   28.517   10.061 -1.091368 13.31937 
1 1 1    8    4  -23 o  164.917   1.5932  7806.01  146.011  7665.26  182.284  8058.01  243.899  162.875   1.9378  166.959   2.5294 -4.084686 3.186359 
1 1 1    8    5  -23 o   35.026   5.6572  383.169  115.361  242.936  176.577  487.595  152.376   29.101   9.3011   40.951   6.4426 -11.85007 11.31447 
1 1 1    8    6  -23 o   14.140   4.9970 -401.1560  131.955 -619.0994  276.957 -337.1546  150.084   16.281   8.0459   11.998   5.9283 4.282367 9.994075 
1 1 1    8    7  -23 o  189.519   1.4411 10287.53  147.331 10126.72  178.178 10635.18  261.978  187.221   1.6478  191.816   2.3648 -4.595169 2.882291 
1 1 1    8    8  -23 o   39.997   5.7150  472.427  125.936  415.041  163.014  557.378  198.338   37.024   7.8662   42.969   8.2925 -5.945564 11.42994 
1 1 1    8    9  -23 o  163.090   1.8499  7699.60  173.734  7820.97  237.857  7560.80  254.367  164.478   2.5039  161.703   2.7237 2.775604 3.699752 
1 1 1    8   10  -23 o  229.641   1.8657 15180.60  235.815 15028.58  291.466 15468.69  401.238  228.027   2.2132  231.254   3.0042 -3.227264 3.731393 
1 1 1    8   11  -23 o   91.802   2.4893  2450.00  130.292  2510.69  172.284  2368.93  199.142   93.154   3.2023   90.450   3.8121 2.704208 4.978647 
1 1 1    8   12  -23 o   58.273   4.4281  900.139  136.883  1216.78  263.649  783.290  160.160   64.605   7.0660   51.940   5.3390 12.66495 8.856254 
1 1 1    8   13  -23 o   89.395   2.6772  2381.51  128.499  2124.06  221.526  2512.06  157.750   85.598   4.4810   93.192   2.9309 -7.593605 5.354420 
1 1 1    8   14  -23 o  107.591   2.4645  3350.63  153.117  3271.28  215.777  3431.11  217.312  106.306   3.5145  108.876   3.4559 -2.570335 4.929013 
1 1 1    8   15  -23 o  182.246   1.8718  9519.58  178.463  9406.48  210.929  9804.51  334.790  180.410   2.0244  184.081   3.1490 -3.671722 3.743597 
1 1 1    8   16  -23 o  167.654   2.1800  8083.81  166.977  8211.68  380.285  8053.27  185.850  168.373   3.9107  166.935   1.9277 1.438583 4.359955 
1 1 1    8   17  -23 o  149.884   1.7846  6473.75  151.702  6381.49  196.106  6611.23  239.387  148.577   2.2854  151.192   2.7415 -2.615173 3.569123 
1 1 1    8   18  -23 o   94.830   2.8552  2597.20  154.841  2666.44  237.499  2546.00  204.209   95.905   4.2878   93.756   3.7713 2.149574 5.710348 
1 1 1    8   19  -23 o   74.384   4.2471  1604.13  182.456  1604.13  182.456   0.0000   0.0000   74.384   4.2471  ?   ?       ?      ? 
1 1 1    8   20  -23 o   55.224   5.0220  903.489  152.307  933.836  190.070  849.044  254.590   56.644   5.8100   53.804   8.1929 2.840000 10.04390 
1 1 1    8   21  -23 o  164.379   2.2139  7918.57  188.230  7602.51  353.431  8043.72  222.395  161.970   3.7782  166.788   2.3087 -4.818024 4.427765 
1 1 1    8   22  -23 o  134.286   1.8680  5236.62  136.154  5159.49  236.371  5274.92  166.563  133.500   3.0657  135.072   2.1351 -1.571945 3.735932 
1 1 1    8   23  -23 o   96.860   2.3920  2726.39  133.250  2612.75  195.122  2825.71  182.408   94.946   3.5583   98.774   3.1975 -3.828362 4.783908 
1 1 1    8   24  -23 o   67.396   3.6259  1354.11  131.286  1233.68  227.296  1414.40  160.826   64.984   6.0562   69.809   3.9890 -4.825386 7.251877 
1 1 1    8   25  -23 f  106.952   3.7337  3319.46  230.629  3319.46  230.629   0.0000   0.0000  106.952   3.7337  ?   ?       ?      ? 
1 1 1    8   26  -23 o  115.739   3.0526  3840.17  182.602  4024.91  350.641  3771.43  213.895  117.436   5.1698  114.042   3.2475 3.393974 6.105204 
1 1 1    8   27  -23 o  172.055   2.2414  8615.70  217.033  8715.65  278.238  8460.38  346.836  173.425   2.7779  170.686   3.5184 2.738998 4.482833 
1 1 1    8   28  -23 o   74.814   4.3230  1716.60  149.971  1767.92  169.443  1531.02  322.214   77.953   3.7636   71.675   7.7838 6.278130 8.645927 
1 1 1    8   29  -23 o  130.687   2.5960  5089.84  158.481  5175.97  178.731  4773.03  342.779  133.660   2.3153  127.715   4.6472 5.944855 5.192008 
1 1 1    8   30  -23 o   90.243   3.0493  2440.06  145.110  2240.28  260.110  2530.33  174.847   87.236   5.1627   93.250   3.2466 -6.013962 6.098629 
1 1 1    8   31  -23 o  153.917   2.2375  6839.47  147.030  6810.06  160.641  6991.33  364.991  153.349   1.8138  154.484   4.0908 -1.135132 4.474916 
1 1 1    8   32  -23 o   68.412   4.6573  1392.16  167.984  1363.38  199.685  1461.85  310.704   67.807   5.0990   69.016   7.7949 -1.209488 9.314532 
1 1 1    8   33  -23 o   39.183   7.0736  438.279  138.055  372.375  155.190  688.252  302.243   33.960   8.0374   44.406   11.642 -10.44598 14.14720 
1 1 1    8   34  -23 o   58.415   5.4587  1177.20  126.957  1233.21  140.359  925.197  297.706   64.684   3.7572   52.146   10.250 12.53743 10.91737 
1 1 1    8   35  -23 o   66.351   3.4024  1329.40  109.763  1337.44  125.603  1303.39  225.790   67.466   3.2235   65.235   5.9929 2.230835 6.804858 
1 1 1    8   36  -23 o   62.290   5.2031  1177.70  187.180   0.0000   0.0000  1177.70  187.180  ?   ?    62.290   5.2031      ?      ? 
1 1 1    8   37  -23 o   61.686   4.9307  1174.46  153.511  1280.26  304.531  1138.42  177.746   62.152   8.4838   61.220   5.0271 0.9319954 9.861393 
1 1 1    8   38  -23 o   86.852   3.9030  2346.23  188.388  2239.90  306.347  2410.90  238.899   84.441   6.2817   89.263   4.6340 -4.822105 7.806006 
1 1 1    8   39  -23 o   57.764   6.9169  1247.16  186.695  1057.47  365.908  1313.93  217.077   50.705   12.560   64.823   5.7983 -14.11817 13.83383 
1 1 1    8   40  -23 f   52.986   7.0822  1157.33  159.741  837.206  363.234  1234.09  177.864   42.645   13.303   63.326   4.8632 -20.68036 14.16435 
1 1 1    8    0  -24 f   75.208   4.6430  1655.08  199.914  1655.08  199.914   0.0000   0.0000   75.208   4.6430   75.208   4.6430 -0.000000 0.000000 
1 1 1    8    1  -24 o  146.577   2.1824  6211.99  180.850  6228.54  286.878  6201.07  232.975  146.713   3.3856  146.440   2.7546 0.2730865 4.364704 
1 1 1    8    2  -24 o   85.269   3.2806  2155.68  146.470  1992.22  266.681  2226.28  175.273   82.828   5.5748   87.709   3.4601 -4.880875 6.561267 
1 1 1    8    3  -24 o  129.892   1.5072  4877.54  112.998  4832.40  162.210  4920.11  157.501  129.306   2.1721  130.478   2.0901 -1.172348 3.014343 
1 1 1    8    4  -24 o  134.330   2.4800  5264.06  155.769  5293.77  175.143  5151.61  340.727  135.334   2.2408  133.327   4.4249 2.006622 4.959929 
1 1 1    8    5  -24 o   76.299   3.3525  1697.52  132.191  1709.46  155.760  1666.76  249.937   76.853   3.5092   75.745   5.7133 1.107498 6.704979 
1 1 1    8    6  -24 o  157.061   1.4675  7172.42  127.524  7283.42  159.630  6976.64  212.010  158.770   1.7409  155.353   2.3629 3.416611 2.934968 
1 1 1    8    7  -24 o  196.960   2.1011 11340.10  200.499 11441.87  228.717 11002.30  416.689  198.980   1.9902  194.941   3.7010 4.038406 4.202222 
1 1 1    8    8  -24 o  177.513   2.2768  9119.70  215.572  9111.62  388.084  9123.31  259.246  177.389   3.7880  177.637   2.5269 -0.2483063 4.553522 
1 1 1    8    9  -24 o  182.983   2.1219  9670.49  213.451  9636.39  263.892  9735.03  363.012  182.565   2.5028  183.400   3.4272 -0.8353424 4.243746 
1 1 1    8   10  -24 o   41.115   6.8537  455.163  144.859  671.237  288.784  382.515  167.450   46.770   10.894   35.460   8.3198 11.31019 13.70742 
1 1 1    8   11  -24 o   14.681   5.0057 -259.9474  121.499 -248.9100  196.021 -266.8331  154.828   16.125   7.6744   13.236   6.4289 2.889155 10.01141 
1 1 1    8   12  -24 f   54.971   5.2298  700.731  127.235  1195.41  335.298  617.517  137.521   63.820   9.0968   46.122   5.1627 17.69838 10.45969 
1 1 1    8   13  -24 o   71.013   2.7219  1457.62  111.509  1523.50  162.427  1398.89  153.358   72.526   3.8778   69.499   3.8207 3.026382 5.443759 
1 1 1    8   14  -24 o   53.283   5.0934  782.603  140.883  934.543  276.220  729.179  163.789   56.478   8.4682   50.087   5.6620 6.390430 10.18672 
1 1 1    8   15  -24 o  144.084   2.4041  6096.65  169.884  5843.75  345.802  6177.10  195.043  141.992   4.2167  146.175   2.3103 -4.182770 4.808172 
1 1 1    8   16  -24 o  229.871   2.0579 15246.73  265.153 15122.81  335.951 15451.46  431.806  228.685   2.5436  231.057   3.2358 -2.372391 4.115894 
1 1 1    8   17  -24 o  167.479   2.1093  8107.90  204.028  8107.90  204.028   0.0000   0.0000  167.479   2.1093  ?   ?       ?      ? 
1 1 1    8   18  -24 o  115.676   2.0435  3895.90  128.119  3800.68  222.481  3943.14  156.711  114.572   3.3622  116.780   2.3235 -2.208260 4.086986 
1 1 1    8   19  -24 o   93.345   2.5045  2538.77  133.843  2656.12  180.412  2395.12  199.606   95.780   3.2614   90.910   3.8017 4.870407 5.008966 
1 1 1    8   20  -24 o  187.147   1.6012 10122.92  172.474 10070.71  234.141 10184.86  255.026  186.630   2.1723  187.665   2.3530 -1.034470 3.202370 
1 1 1    8   21  -24 o  144.069   1.8790  6012.98  152.250  6037.71  194.566  5973.92  244.524  144.485   2.3316  143.653   2.9473 0.8317719 3.758050 
1 1 1    8   22  -24 f   96.871   2.5477  2719.41  141.701  2733.04  212.444  2708.48  190.189   97.069   3.7895   96.673   3.4064 0.3959808 5.095456 
1 1 1    8   23  -24 o   24.296   7.0023   31.767  165.757 -143.7382  240.257  191.185  228.981   20.294   9.2556   28.298   10.510 -8.004103 14.00464 
1 1 1    8   24  -24 o   57.383   5.4293  971.237  179.330  961.154  243.310  983.229  265.341   57.105   7.3773   57.660   7.9679 -0.5549202 10.85870 
1 1 1    8   25  -24 o   73.312   3.8095  1655.51  139.363  1399.27  266.439  1752.02  163.514   68.953   6.6905   77.671   3.6451 -8.718323 7.619032 
1 1 1    8   26  -24 o  132.277   2.4308  5096.22  178.683  5135.42  224.532  5028.50  295.071  133.078   2.9214  131.475   3.8860 1.602692 4.861581 
1 1 1    8   27  -24 o  102.291   2.9859  2979.64  164.999  2854.83  198.743  3256.48  295.990   99.092   3.4727  105.492   4.8582 -6.399910 5.971748 
1 1 1    8   28  -24 o   98.401   2.6573  2824.16  146.307  2813.67  238.179  2830.52  185.411   98.140   4.2021   98.661   3.2539 -0.5207443 5.314675 
1 1 1    8   29  -24 o  124.149   2.5385  4453.47  172.560  4626.12  297.961  4366.33  211.670  125.756   4.1025  122.543   2.9908 3.213463 5.076910 
1 1 1    8   30  -24 o  119.822   3.5744  4241.61  247.294  4198.02  345.189  4287.57  354.450  119.212   5.0136  120.432   5.0960 -1.219994 7.148779 
1 1 1    8   31  -24 o  103.628   3.2931  3002.58  120.684  2958.45  127.216  3399.47  381.516  100.957   2.1818  106.299   6.2144 -5.341530 6.586274 
1 1 1    8   32  -24 o   77.538   3.3551  1775.50  146.408  1836.39  236.637  1737.73  186.359   78.375   5.2278   76.702   4.2068 1.672165 6.710283 
1 1 1    8   33  -24 o   30.897   6.3965  301.853  110.384  301.853  110.384   0.0000   0.0000   30.897   6.3965  ?   ?       ?      ? 
1 1 1    8   34  -24 o   14.385   4.9750 -298.3608  114.222 -383.6382  136.476 -98.9337  208.704   10.318   5.1829   18.451   8.4935 -8.132927 9.949963 
1 1 1    8   35  -24 f   18.559   5.8314  -6.1251  120.248   45.463  140.410 -148.0663  232.904   18.550   7.7781   18.567   8.6904 -0.1663017E-01 11.66288 
1 1 1    8   36  -24 o   53.656   6.3267  1013.04  157.721  889.239  316.490  1053.94  181.919   48.618   11.459   58.693   5.3667 -10.07511 12.65331 
1 1 1    8   37  -24 o   43.165   7.7072  658.326  174.841  814.035  343.746  603.984  203.072   44.505   12.731   41.825   8.6906 2.680019 15.41445 
1 1 1    8   38  -24 o   16.903   5.5569 -91.8176  129.106 -139.3586  207.946 -61.9966  164.694   17.218   8.1072   16.587   7.6020 0.6310349 11.11382 
1 1 1    8   39  -24 o   55.195   4.4621  994.055  135.587  903.973  220.438  1048.88  171.964   52.204   7.3113   58.186   5.1172 -5.982288 8.924212 
1 1 1    8    0  -25 o  193.849   2.4655 10878.47  275.720 11078.91  387.093 10672.04  392.824  195.671   3.4277  192.027   3.5447 -0.000000 0.000000 
1 1 1    8    1  -25 o  115.042   2.1392  3832.69  141.969  3711.23  203.551  3947.75  198.109  113.260   3.1118  116.825   2.9362 -3.565331 4.278367 
1 1 1    8    2  -25 o  152.398   2.0856  6621.52  149.680  6552.72  168.051  6885.61  329.235  150.583   1.9323  154.213   3.6966 -3.629807 4.171160 
1 1 1    8    3  -25 o  126.785   2.8038  4681.05  185.352  4714.85  219.646  4597.44  345.454  127.668   2.9789  125.902   4.7509 1.766197 5.607529 
1 1 1    8    4  -25 o  184.012   1.6659  9783.42  176.749  9873.06  258.105  9704.26  242.543  184.800   2.4183  183.224   2.2920 1.575974 3.331901 
1 1 1    8    5  -25 o  157.233   2.2228  7118.22  193.885  7276.85  324.421  7030.08  241.821  158.549   3.5429  155.918   2.6854 2.630356 4.445648 
1 1 1    8    6  -25 o   88.974   3.2950  2192.82  130.609  2137.08  143.565  2460.50  314.608   85.956   2.8919   91.992   5.9216 -6.035332 6.589993 
1 1 1    8    7  -25 o  269.224   1.7986 20943.94  279.076 20757.84  381.740 21157.59  409.015  267.950   2.4668  270.497   2.6181 -2.547302 3.597160 
1 1 1    8    8  -25 o   89.945   3.0524  2344.48  158.492  2356.05  227.817  2333.62  220.637   90.156   4.3753   89.735   4.2573 0.4212036 6.104718 
1 1 1    8    9  -25 o  163.599   2.1216  7797.66  152.605  7827.79  168.274  7658.09  362.154  164.591   1.7702  162.607   3.8563 1.983917 4.243170 
1 1 1    8   10  -25 o  108.892   2.8833  3520.43  165.217  3225.67  297.579  3651.78  198.647  105.436   4.8868  112.348   3.0615 -6.911781 5.766610 
1 1 1    8   11  -25 o  185.222   1.4608  9912.99  156.141  9852.90  216.217  9978.49  225.725  184.638   2.0276  185.805   2.1035 -1.167038 2.921600 
1 1 1    8   12  -25 o   15.916   5.3842 -316.0005  138.690 -449.2713  183.387 -137.9317  211.980   12.852   6.3854   18.980   8.6709 -6.128286 10.76839 
1 1 1    8   13  -25 o  156.224   1.8082  7010.48  160.195  7300.75  253.952  6818.64  206.454  158.873   2.7677  153.575   2.3277 5.298477 3.616354 
1 1 1    8   14  -25 o  179.416   2.1313  9292.60  207.880  9378.40  361.961  9250.38  253.935  179.973   3.4823  178.860   2.4582 1.112762 4.262578 
1 1 1    8   15  -25 o  183.375   1.8381  9724.04  194.495  9756.66  281.330  9694.16  269.188  183.664   2.6522  183.086   2.5457 0.5776062 3.676281 
1 1 1    8   16  -25 o  143.632   2.2185  5973.62  183.858  5919.71  265.258  6023.48  255.070  143.000   3.2118  144.264   3.0614 -1.264175 4.437064 
1 1 1    8   17  -25 o   60.732   4.1892  1049.43  145.207  897.583  189.142  1267.38  226.605   55.509   5.8999   65.955   5.9489 -10.44593 8.378442 
1 1 1    8   18  -25 o  119.648   2.5357  4186.52  158.206  4238.81  187.747  4058.46  293.820  121.039   2.6857  118.258   4.3020 2.781342 5.071489 
1 1 1    8   19  -25 o  146.583   2.4515  6189.64  193.281  6126.83  233.481  6326.39  344.534  145.499   2.7785  147.668   4.0398 -2.168930 4.903051 
1 1 1    8   20  -25 o  118.521   2.2960  4069.97  157.140  4089.25  220.709  4050.15  223.782  118.809   3.2165  118.232   3.2772 0.5765686 4.591952 
1 1 1    8   21  -25 o   72.053   3.2058  1486.26  130.186  1613.87  211.911  1408.91  164.993   74.453   4.9282   69.652   4.1015 4.801147 6.411662 
1 1 1    8   22  -25 o   94.790   3.2351  2632.67  159.457  2573.48  297.952  2656.43  188.764   93.876   5.4955   95.704   3.4151 -1.828033 6.470169 
1 1 1    8   23  -25 o  127.842   2.4796  4659.44  167.121  4542.07  198.021  4949.98  311.556  125.221   2.7381  130.464   4.1348 -5.243736 4.959243 
1 1 1    8   24  -25 o   73.408   3.3637  1600.51  139.889  1779.89  187.924  1377.60  209.495   78.193   4.1613   68.623   5.2859 9.570534 6.727363 
1 1 1    8   25  -25 o  165.031   2.1475  7847.13  198.363  7680.64  250.047  8129.79  325.812  162.780   2.6597  167.281   3.3724 -4.500687 4.294990 
1 1 1    8   26  -25 o  104.463   3.4739  3174.57  209.587  3174.57  209.587   0.0000   0.0000  104.463   3.4739  ?   ?       ?      ? 
1 1 1    8   27  -25 o   19.220   6.0138 -50.3661  124.974   16.986  214.744 -84.8597  153.679   22.130   9.4624   16.310   7.4246 5.820200 12.02750 
1 1 1    8   28  -25 o   68.337   3.2870  1422.70  122.191  1206.59  201.556  1548.29  153.644   63.853   5.4654   72.821   3.6532 -8.967438 6.573970 
1 1 1    8   29  -25 o   90.365   2.9538  2388.90  144.094  2372.05  174.893  2424.53  254.250   90.138   3.3595   90.592   4.8595 -0.4542618 5.907689 
1 1 1    8   30  -25 o   90.406   4.5414  2416.41  237.124   0.0000   0.0000  2416.41  237.124  ?   ?    90.406   4.5414      ?      ? 
1 1 1    8   31  -25 o   24.285   7.1692   55.074  184.492  225.105  226.349 -281.4715  318.447   27.840   10.428   20.729   9.8411 7.111128 14.33835 
1 1 1    8   32  -25 o   68.978   4.6872  1421.27  186.727  1421.27  186.727   0.0000   0.0000   68.978   4.6872  ?   ?       ?      ? 
1 1 1    8   33  -25 o   62.187   3.5153  1166.34  120.304  1168.64  149.448  1162.10  202.774   62.678   4.1285   61.696   5.6908 0.9825974 7.030605 
1 1 1    8   34  -25 o   62.895   4.5281  1233.39  164.357  1174.67  231.190  1293.38  233.704   61.288   6.5314   64.502   6.2734 -3.213844 9.056215 
1 1 1    8   35  -25 o   37.191   6.5392  471.047  141.080  640.140  217.377  347.989  185.441   43.019   9.0366   31.362   9.4542 11.65705 13.07832 
1 1 1    8   36  -25 o   68.943   5.5642  1500.54  201.426  1410.38  237.612  1730.80  379.720   67.083   6.1330   70.804   9.2859 -3.720634 11.12837 
1 1 1    8   37  -25 o   53.648   4.2930  917.050  131.167  816.072  193.888  1002.26  178.111   50.439   6.6558   56.858   5.4239 -6.419415 8.585950 
1 1 1    8   38  -25 o   19.773   6.3186  -6.7757  152.583   3.3199  232.358 -14.4297  202.318   20.484   9.2466   19.061   8.6139 1.423363 12.63720 
1 1 1    8    0  -26 o   90.854   3.4253  2408.63  176.891  2415.31  269.178  2403.55  234.680   90.899   5.1655   90.809   4.4999 -0.000000 0.000000 
1 1 1    8    1  -26 o   69.120   2.8436  1384.39  113.424  1391.64  157.520  1376.58  163.457   69.313   3.9349   68.927   4.1061 0.3856506 5.687112 
1 1 1    8    2  -26 o  133.379   2.4592  5196.52  168.861  5254.44  198.691  5045.92  320.417  134.804   2.5521  131.955   4.2044 2.849136 4.918347 
1 1 1    8    3  -26 o   66.593   2.8827  1279.40  108.882  1313.37  171.976  1256.68  140.665   67.307   4.4241   65.878   3.6971 1.429741 5.765491 
1 1 1    8    4  -26 o  131.019   2.7558  4951.05  197.789  5038.98  339.771  4905.98  243.253  131.832   4.4625  130.205   3.2348 1.627655 5.511607 
1 1 1    8    5  -26 o  326.848   2.0851 30797.20  336.578 31110.37  687.420 30698.45  386.013  327.789   3.6311  325.908   2.0508 1.880554 4.170245 
1 1 1    8    6  -26 o  457.217   2.5873 60531.85  653.719 60529.87  813.878 60535.46  1097.42  457.388   3.0810  457.045   4.1575 0.3432007 5.174638 
1 1 1    8    7  -26 o  139.084   2.1990  5591.25  176.513  5441.84  244.098  5755.00  255.550  137.141   3.0818  141.027   3.1375 -3.885788 4.397933 
1 1 1    8    8  -26 f  207.346   1.5159 12438.24  180.084 12337.03  271.878 12517.36  240.377  206.581   2.2788  208.112   1.9999 -1.530426 3.031895 
1 1 1    8    9  -26 o  163.726   1.8606  7738.53  175.062  7619.03  235.287  7886.73  262.015  162.323   2.5098  165.128   2.7474 -2.804993 3.721162 
1 1 1    8   10  -26 o   55.873   4.7652  910.151  153.744  890.376  215.305  930.724  219.614   55.254   6.7469   56.493   6.7310 -1.239372 9.530345 
1 1 1    8   11  -26 o  135.762   3.3703  5360.12  262.831  5241.28  390.198  5458.83  355.603  134.342   5.0291  137.181   4.4883 -2.838455 6.740674 
1 1 1    8   12  -26 o  129.701   2.6641  4866.08  188.998  4849.92  232.393  4897.65  324.802  129.451   3.1084  129.951   4.3277 -0.4996796 5.328293 
1 1 1    8   13  -26 o   16.937   5.5217 -151.2028  127.064 -226.2575  178.800 -74.6238  180.606   15.402   7.3301   18.472   8.2599 -3.069822 11.04340 
1 1 1    8   14  -26 o  110.145   3.3379  3523.39  200.683  3524.49  246.489  3521.24  345.627  110.271   3.8704  110.020   5.4394 0.2505875 6.675839 
1 1 1    8   15  -26 o  122.305   2.6037  4343.94  179.387  4376.42  230.105  4293.62  286.424  122.938   3.2408  121.672   4.0760 1.265625 5.207377 
1 1 1    8   16  -26 o   86.458   3.7179  2149.56  158.394  2126.43  181.200  2224.46  326.130   85.653   3.6629   87.263   6.4711 -1.609909 7.435856 
1 1 1    8   17  -26 o   24.678   6.4047  144.671  119.640  123.897  164.372  168.077  174.471   23.617   8.8784   25.738   9.2334 -2.120670 12.80947 
1 1 1    8   18  -26 o  196.768   2.1067 11237.19  235.649 11358.06  308.128 11066.90  365.746  198.096   2.6932  195.441   3.2403 2.655701 4.213384 
1 1 1    8   19  -26 o  174.509   2.1846  8916.19  195.814  9030.32  230.203  8617.48  372.416  176.683   2.2560  172.335   3.7417 4.348389 4.369176 
1 1 1    8   20  -26 o  128.559   2.3507  4795.33  174.352  4721.21  251.319  4864.10  242.083  127.587   3.4106  129.531   3.2360 -1.944290 4.701487 
1 1 1    8   21  -26 o   86.806   2.7297  2171.77  125.729  2145.26  150.154  2233.96  229.980   86.029   3.0221   87.582   4.5466 -1.552849 5.459387 
1 1 1    8   22  -26 o  145.926   2.3862  6207.53  191.973  6092.83  322.291  6270.60  238.997  144.760   3.8549  147.091   2.8133 -2.330688 4.772328 
1 1 1    8   23  -26 o   82.625   3.5829  2075.25  156.500  2210.64  190.528  1794.42  274.391   87.170   3.7845   78.079   6.0848 9.090843 7.165726 
1 1 1    8   24  -26 o   80.883   3.8458  1905.73  179.651  1905.73  179.651   0.0000   0.0000   80.883   3.8458  ?   ?       ?      ? 
1 1 1    8   25  -26 o  150.360   1.8100  6548.27  156.521  6459.04  211.205  6656.99  233.124  149.253   2.4502  151.467   2.6649 -2.213562 3.620098 
1 1 1    8   26  -26 o   91.831   3.6444  2421.14  156.880  2598.97  348.504  2375.94  175.686   93.355   6.4637   90.307   3.3685 3.048485 7.288776 
1 1 1    8   27  -26 o   14.251   4.8983 -295.8243  128.036 -245.3288  172.795 -357.3016  190.661   14.460   6.9666   14.043   6.8876 0.4172840 9.796607 
1 1 1    8   28  -26 o   63.090   3.4047  1175.28  123.925  1245.47  179.853  1111.82  170.996   64.884   4.7995   61.295   4.8303 3.589653 6.809332 
1 1 1    8   29  -26 o   61.998   4.4806  1110.37  145.657  1301.68  278.689  1038.47  170.850   64.944   7.4301   59.052   5.0095 5.891411 8.961111 
1 1 1    8   30  -26 o   16.986   7.4429 -11.4916  139.567 -11.4916  139.567   0.0000   0.0000   16.986   7.4429  ?   ?       ?      ? 
1 1 1    8   31  -26 o   17.008   5.4223 -50.9428  109.437 -72.8355  139.549 -15.9727  176.371   15.296   7.0057   18.719   8.2781 -3.422573 10.84468 
1 1 1    8   32  -26 o   85.544   3.3150  2200.05  162.848  2217.50  219.610  2178.72  242.723   86.108   4.4159   84.981   4.9455 1.127449 6.630083 
1 1 1    8   33  -26 o   57.577   5.8606  992.818  181.130  843.156  213.962  1371.35  340.276   51.447   7.2009   63.706   9.2483 -12.25903 11.72114 
1 1 1    8   34  -26 o   40.687   6.4230  576.524  152.447  751.534  217.372  407.133  213.855   47.969   7.8461   33.404   10.171 14.56571 12.84597 
1 1 1    8   35  -26 f   48.494   7.4251  909.054  193.649  736.747  342.294  990.162  234.844   41.792   12.894   55.196   7.3669 -13.40414 14.85018 
1 1 1    8   36  -26 o   43.080   5.9537  718.076  139.320  934.765  178.325  378.599  223.202   54.715   5.6432   31.445   10.485 23.26943 11.90742 
1 1 1    8   37  -26 o   43.670   5.4592  709.393  120.492  829.552  148.837  480.886  205.250   51.793   4.9757   35.548   9.7187 16.24446 10.91835 
1 1 1    8    0  -27 o   62.510   6.3267  1167.33  223.044   0.0000   0.0000  1167.33  223.044   62.510   6.3267   62.510   6.3267 -0.000000 0.000000 
1 1 1    8    1  -27 o  169.212   1.9716  8295.19  177.549  8248.89  320.558  8315.67  213.246  168.816   3.2878  169.609   2.1769 -0.7929688 3.943199 
1 1 1    8    2  -27 o   90.092   3.3599  2423.49  141.184  2239.45  305.072  2473.65  159.266   87.719   6.0218   92.464   2.9824 -4.745132 6.719833 
1 1 1    8    3  -27 o  287.732   1.7104 23937.82  284.198 23936.44  404.793 23939.16  399.100  287.721   2.4360  287.742   2.4016 -0.2154541E-01 3.420752 
1 1 1    8    4  -27 o  244.107   1.5193 17245.79  211.609 17362.21  278.971 17088.04  324.737  245.098   1.9708  243.116   2.3128 1.982086 3.038559 
1 1 1    8    5  -27 o  210.497   1.7372 12823.41  210.060 12922.30  283.369 12702.78  312.971  211.413   2.3208  209.580   2.5857 1.833694 3.474424 
1 1 1    8    6  -27 o   42.661   6.8576  548.756  167.426  753.252  248.107  377.774  226.867   49.909   8.9356   35.413   10.405 14.49566 13.71526 
1 1 1    8    7  -27 o  142.411   1.9024  5863.95  154.655  5850.90  203.678  5881.73  237.665  142.242   2.4793  142.581   2.8862 -0.3385315 3.804844 
1 1 1    8    8  -27 o  107.833   2.4295  3367.32  151.276  3379.83  212.160  3354.39  215.758  108.039   3.4001  107.626   3.4711 0.4136047 4.858942 
1 1 1    8    9  -27 o   57.455   3.7714  957.263  124.869  1051.81  181.307  871.952  172.226   60.155   5.2186   54.755   5.4461 5.400002 7.542813 
1 1 1    8   10  -27 o   23.448   7.0688 -15.7049  147.126  117.543  298.112 -58.6102  169.163   28.740   11.612   18.157   8.0645 10.58260 14.13768 
1 1 1    8   11  -27 o   84.507   2.6775  2072.84  130.268  2111.61  178.268  2028.41  190.828   85.370   3.6156   83.644   3.9502 1.725800 5.355094 
1 1 1    8   12  -27 o  192.836   2.1660 10751.61  241.229 10751.61  241.229   0.0000   0.0000  192.836   2.1660  ?   ?       ?      ? 
1 1 1    8   13  -27 o  234.891   2.1042 16019.52  272.878 16136.02  339.983 15808.59  457.476  236.181   2.4924  233.601   3.3908 2.580231 4.208343 
1 1 1    8   14  -27 o  210.172   2.1637 12732.11  248.165 12969.51  429.743 12613.33  303.971  211.542   3.5174  208.801   2.5207 2.741287 4.327360 
1 1 1    8   15  -27 o   99.734   3.8283  2897.94  220.489  2953.13  314.311  2844.47  309.384  100.670   5.4060   98.798   5.4221 1.872208 7.656576 
1 1 1    8   16  -27 o  136.919   2.4962  5424.71  197.393  5424.71  197.393   0.0000   0.0000  136.919   2.4962  ?   ?       ?      ? 
1 1 1    8   17  -27 o  158.348   1.8775  7233.90  167.182  7150.94  212.789  7367.71  270.239  157.210   2.3436  159.486   2.9339 -2.276581 3.755002 
1 1 1    8   18  -27 o  162.280   2.4152  7621.89  226.359  7621.89  226.359   0.0000   0.0000  162.280   2.4152  ?   ?       ?      ? 
1 1 1    8   19  -27 f  104.531   2.6736  3162.71  160.400  3275.86  242.490  3074.69  213.875  106.158   3.9551  102.905   3.5986 3.253082 5.347234 
1 1 1    8   20  -27 o  145.955   1.8253  6165.25  153.677  6064.23  211.413  6278.42  223.778  144.697   2.5298  147.212   2.6320 -2.515121 3.650659 
1 1 1    8   21  -27 o  145.415   1.7076  6113.54  143.164  6309.01  209.896  5943.49  195.771  147.576   2.4627  143.254   2.3662 4.321426 3.415212 
1 1 1    8   22  -27 o   92.238   2.9292  2486.69  155.707  2334.13  222.305  2633.61  218.160   89.418   4.3046   95.057   3.9738 -5.639320 5.858400 
1 1 1    8   23  -27 o  113.413   2.2286  3775.71  137.883  3624.43  235.213  3854.91  170.193  111.537   3.6514  115.288   2.5561 -3.751183 4.457126 
1 1 1    8   24  -27 o  128.664   2.8318  4809.60  210.426  4809.60  210.426   0.0000   0.0000  128.664   2.8318  ?   ?       ?      ? 
1 1 1    8   25  -27 o  127.459   2.6909  4669.04  160.253  4891.47  356.066  4612.54  179.455  128.868   4.7841  126.050   2.4651 2.818024 5.381826 
1 1 1    8   26  -27 o   79.873   3.0022  1946.51  126.612  1690.22  222.550  2069.16  153.955   75.521   5.1024   84.224   3.1650 -8.703369 6.004313 
1 1 1    8   27  -27 o  104.156   3.0605  3167.13  184.103  3167.13  184.103   0.0000   0.0000  104.156   3.0605  ?   ?       ?      ? 
1 1 1    8   28  -27 o   55.901   3.8714  926.733  124.081  837.388  163.874  1046.78  189.954   52.826   5.3713   58.976   5.5768 -6.149933 7.742827 
1 1 1    8   29  -27 o   70.765   3.1152  1486.00  127.166  1414.99  174.751  1565.92  185.402   68.982   4.3863   72.549   4.4248 -3.567162 6.230481 
1 1 1    8   30  -27 o   30.955   7.5841  323.437  149.467  334.279  166.797  279.245  336.759   31.413   8.8275   30.497   12.335 0.9158611 15.16816 
1 1 1    8   31  -27 o   21.289   6.4414   30.716  149.809  147.635  189.121 -166.2188  245.447   23.744   9.3626   18.834   8.8492 4.909746 12.88284 
1 1 1    8   32  -27 o   24.178   6.8851  138.847  134.913  112.340  158.624  208.169  256.517   21.505   8.5444   26.851   10.799 -5.345865 13.77019 
1 1 1    8   33  -27 o   52.612   5.3782  899.403  163.055  979.020  234.335  824.674  227.029   55.047   7.3709   50.178   7.8340 4.869427 10.75646 
1 1 1    8   34  -27 o   67.489   3.8863  1398.06  146.805  1362.21  185.346  1458.41  240.490   66.875   4.7988   68.103   6.1143 -1.227600 7.772597 
1 1 1    8   35  -27 o   57.155   6.2322  1080.30  164.388  1245.81  352.234  1034.22  185.872   56.784   11.138   57.527   5.5944 -0.7431641 12.46438 
1 1 1    8   36  -27 o   34.542   7.4080  476.523  161.946  547.181  232.245  409.650  225.937   37.156   10.408   31.928   10.545 5.227365 14.81590 
1 1 1    8    0  -28 o  115.280   2.5215  3856.96  167.334  3912.36  232.314  3797.22  241.231  116.157   3.4699  114.403   3.6595 -0.000000 0.000000 
1 1 1    8    1  -28 o   98.886   2.6633  2828.64  152.106   0.0000   0.0000  2828.64  152.106  ?   ?    98.886   2.6633      ?      ? 
1 1 1    8    2  -28 o  184.581   2.1368  9777.12  175.585  9729.93  193.868  9992.49  414.187  183.484   1.8295  185.679   3.8623 -2.194992 4.273689 
1 1 1    8    3  -28 o   14.875   7.5261 -923.3917  146.387 -879.1964  164.858 -1088.1290  318.286  ?   ?    14.875   7.5261      ?      ? 
1 1 1    8    4  -28 o  273.100   2.3999 21601.02  378.278 21630.21  525.622 21569.66  544.827  273.306   3.3300  272.894   3.4568 0.4121704 4.799835 
1 1 1    8    5  -28 o  198.782   1.8646 11430.41  214.057 11524.88  303.733 11337.19  301.721  199.598   2.6348  197.966   2.6389 1.632553 3.729115 
1 1 1    8    6  -28 o   47.928   5.7317  774.414  136.438  921.911  167.256  481.046  235.883   56.309   5.1430   39.547   10.245 16.76260 11.46349 
1 1 1    8    7  -28 o   78.846   3.3022  1782.59  148.999  1645.75  195.353  1972.91  230.386   75.291   4.4925   82.400   4.8411 -7.109154 6.604464 
1 1 1    8    8  -28 o  108.461   2.8460  3404.55  178.273  3404.55  178.273   0.0000   0.0000  108.461   2.8460  ?   ?       ?      ? 
1 1 1    8    9  -28 o   80.593   3.1761  1886.04  147.635  1757.30  206.817  2019.80  210.816   77.777   4.6041   83.408   4.3763 -5.630783 6.352183 
1 1 1    8   10  -28 o   94.194   3.7395  2449.11  156.520  2797.93  379.517  2377.62  171.812   97.791   6.7197   90.597   3.2836 7.194450 7.479048 
1 1 1    8   11  -28 o   96.504   3.0215  2710.21  168.024  2838.95  233.829  2572.77  241.604   98.900   4.0937   94.107   4.4453 4.793427 6.043071 
1 1 1    8   12  -28 o  225.146   2.1188 14674.27  230.993 14690.52  484.166 14669.48  262.835  225.052   3.7250  225.241   2.0205 -0.1891022 4.237674 
1 1 1    8   13  -28 o  101.767   2.6774  3004.23  137.452  3006.83  271.187  3003.33  159.450  101.678   4.6180  101.856   2.7105 -0.1786499 5.354733 
1 1 1    8   14  -28 o  154.140   1.9614  6877.60  174.479  6936.15  252.118  6823.77  241.712  154.763   2.8207  153.518   2.7262 1.244553 3.922780 
1 1 1    8   15  -28 o  115.492   2.8942  3928.67  169.544  3765.96  327.968  3988.02  198.062  113.658   4.9963  117.326   2.9230 -3.667656 5.788463 
1 1 1    8   16  -28 o  172.728   2.1693  8526.35  192.149  8386.25  224.051  8915.96  373.621  170.233   2.2789  175.224   3.6919 -4.990997 4.338607 
1 1 1    8   17  -28 o  204.086   2.0432 12050.09  240.827 12050.09  240.827   0.0000   0.0000  204.086   2.0432  ?   ?       ?      ? 
1 1 1    8   18  -28 o  171.702   2.1340  8573.12  189.556  8600.43  223.278  8502.63  358.706  172.364   2.2429  171.041   3.6312 1.323669 4.268083 
1 1 1    8   19  -28 o   97.911   3.6022  2729.00  156.229  2931.85  374.333  2686.21  171.918   99.623   6.5059   96.198   3.0943 3.425339 7.204329 
1 1 1    8   20  -28 o  242.387   1.7365 17020.48  242.594 17138.55  355.158 16917.21  332.155  243.148   2.5291  241.626   2.3802 1.521988 3.472981 
1 1 1    8   21  -28 o   23.779   6.6415   83.813  137.926  -5.6909  183.658  199.588  208.881   20.044   8.6626   27.514   10.070 -7.470072 13.28292 
1 1 1    8   22  -28 o  141.768   1.8932  5899.35  148.977  5596.21  244.051  6079.40  188.086  138.719   3.0462  144.816   2.2488 -6.096603 3.786361 
1 1 1    8   23  -28 o   46.577   5.2205  631.776  136.656  763.734  227.313  557.092  171.010   50.105   7.8552   43.049   6.8782 7.056259 10.44100 
1 1 1    8   24  -28 o  113.374   2.2695  3741.51  143.144  3779.99  237.107  3719.44  179.558  113.680   3.6114  113.069   2.7497 0.6109390 4.539039 
1 1 1    8   25  -28 o   63.652   3.9435  1222.22  142.822  1288.27  189.952  1136.32  216.627   65.864   4.9936   61.440   6.1049 4.423958 7.887069 
1 1 1    8   26  -28 o   48.831   5.0294  718.737  140.114  837.609  220.114  637.757  181.675   52.064   7.3203   45.597   6.8987 6.466515 10.05875 
1 1 1    8   27  -28 o   57.442   5.5292  977.037  153.674  926.483  173.521  1160.89  330.909   55.447   5.4187   59.436   9.6399 -3.989670 11.05842 
1 1 1    8   28  -28 o   50.152   6.9818  929.290  145.273  731.916  355.873  968.758  159.136   43.483   13.094   56.820   4.8493 -13.33666 13.96356 
1 1 1    8   29  -28 o   72.750   3.1962  1586.43  134.199  1550.58  191.879  1620.75  187.761   71.886   4.6217   73.615   4.4163 -1.728882 6.392445 
1 1 1    8   30  -28 o   53.515   4.3241  898.168  128.397  845.269  208.489  930.490  162.967   51.669   6.9866   55.362   5.0969 -3.692894 8.648176 
1 1 1    8   31  -28 f   90.858   2.5565  2385.42  125.724  2634.51  224.855  2272.13  151.644   93.833   4.1492   87.883   2.9877 5.950066 5.112944 
1 1 1    8   32  -28 o   41.967   4.4511  550.530  107.277  521.038  142.983  588.513  162.266   40.813   6.0660   43.121   6.5156 -2.308247 8.902215 
1 1 1    8   33  -28 o   24.998   6.7295  183.390  133.313  114.598  170.640  291.149  213.570   21.611   8.7665   28.386   10.212 -6.775042 13.45891 
1 1 1    8   34  -28 o   16.734   5.8983 -411.5451  181.179 -440.2995  211.402 -331.9955  351.623   13.606   6.7757   19.861   9.6565 -6.255530 11.79651 
1 1 1    8   35  -28 o   33.748   6.9209  461.945  142.388  497.371  168.979  375.194  264.426   37.494   8.0443   30.003   11.264 7.491838 13.84190 
1 1 1    8    0  -29 o   88.276   3.0875  2271.77  154.993  2264.65  205.269  2281.23  236.400   88.175   4.0502   88.377   4.6611 -0.000000 0.000000 
1 1 1    8    1  -29 o  144.018   2.3669  5999.23  196.874  5999.23  196.874   0.0000   0.0000  144.018   2.3669  ?   ?       ?      ? 
1 1 1    8    2  -29 o   70.769   3.5522  1413.24  141.204  1642.11  234.461  1282.98  176.878   75.089   5.4064   66.449   4.6089 8.639946 7.104324 
1 1 1    8    3  -29 o  169.285   2.1732  8110.50  177.786  7960.38  201.242  8644.22  379.452  165.923   2.1000  172.647   3.8055 -6.724075 4.346491 
1 1 1    8    4  -29 o  171.314   1.9263  8479.07  189.967  8670.05  281.565  8319.51  257.371  173.069   2.8169  169.560   2.6282 3.508774 3.852565 
1 1 1    8    5  -29 o  132.683   2.2741  5101.93  173.892  5134.09  238.650  5065.52  253.898  133.143   3.1035  132.222   3.3248 0.9206848 4.548236 
1 1 1    8    6  -29 o   57.402   6.1131  1043.16  166.807  1101.10  194.254  880.493  325.498   61.464   5.4722   53.341   10.933 8.122993 12.22614 
1 1 1    8    7  -29 o  185.234   1.9158  9928.34  204.924 10150.42  292.792  9715.09  286.910  187.265   2.7072  183.204   2.7116 4.060333 3.831660 
1 1 1    8    8  -29 o   73.130   2.9882  1539.82  124.389  1477.19  161.302  1631.69  195.383   71.342   3.9148   74.918   4.5156 -3.575737 5.976318 
1 1 1    8    9  -29 o  202.590   1.6785 11885.88  192.419 11930.06  248.645 11819.92  303.816  203.100   2.1198  202.081   2.6031 1.018585 3.357043 
1 1 1    8   10  -29 o   57.823   4.2909  986.047  141.520  1037.21  189.054  920.841  213.435   59.611   5.4913   56.036   6.5950 3.575371 8.581860 
1 1 1    8   11  -29 o  349.637   2.6577 35394.75  536.662 35394.75  536.662   0.0000   0.0000  349.637   2.6577  ?   ?       ?      ? 
1 1 1    8   12  -29 o   71.623   5.6013  1641.62  188.785  1297.67  383.405  1751.71  216.901   65.721   10.101   77.525   4.8443 -11.80463 11.20267 
1 1 1    8   13  -29 o  324.578   2.3470 30602.85  409.880 30672.30  496.849 30454.88  725.206  325.430   2.6435  323.727   3.8788 1.702759 4.693960 
1 1 1    8   14  -29 o   70.115   4.4211  1419.74  155.064  1495.32  313.062  1395.17  178.498   71.032   7.6312   69.197   4.4664 1.835045 8.842132 
1 1 1    8   15  -29 o  201.049   2.0172 11743.49  207.562 11772.58  242.863 11664.69  399.766  201.697   2.0849  200.401   3.4540 1.295471 4.034433 
1 1 1    8   16  -29 o   55.267   4.3238  834.195  131.319  1122.75  234.029  701.589  158.649   61.651   6.5727   48.883   5.6195 12.76836 8.647513 
1 1 1    8   17  -29 o  137.368   1.8281  5472.35  144.938  5406.01  207.997  5534.97  202.077  136.548   2.6375  138.189   2.5320 -1.640869 3.656105 
1 1 1    8   18  -29 o   68.234   3.0719  1355.41  120.757  1495.04  176.579  1232.74  165.512   71.535   4.2740   64.933   4.4134 6.602463 6.143722 
1 1 1    8   19  -29 o  262.924   1.5980 20120.06  237.358 19614.99  374.577 20458.94  306.821  260.052   2.4940  265.796   1.9987 -5.744568 3.196072 
1 1 1    8   20  -29 o  ?   ?  -940.4244  146.897 -1012.7310  196.675 -849.1932  220.918  ?   ?   ?   ?       ?      ? 
1 1 1    8   21  -29 o  195.592   1.7427 11046.59  189.684 11331.97  315.263 10884.66  237.477  197.426   2.7649  193.759   2.1221 3.666763 3.485445 
1 1 1    8   22  -29 o   15.682   5.2891 -216.8448  122.870 -265.4705  151.560 -123.6050  209.871   12.808   6.2519   18.557   8.5330 -5.749431 10.57817 
1 1 1    8   23  -29 o   32.519   6.5238  340.917  130.280  258.753  179.413  432.567  189.488   28.669   9.3931   36.370   9.0558 -7.700996 13.04750 
1 1 1    8   24  -29 f   65.595   4.6367  1325.13  150.405  1281.85  299.945  1339.67  173.840   63.946   8.1216   67.243   4.4763 -3.297306 9.273488 
1 1 1    8   25  -29 o   93.563   2.8289  2616.12  148.489  2453.65  235.767  2722.94  191.167   90.848   4.4935   96.277   3.4380 -5.429306 5.657838 
1 1 1    8   26  -29 o  103.592   2.2544  3151.10  134.820  3188.91  188.672  3111.64  192.722  104.256   3.1334  102.928   3.2420 1.327934 4.508767 
1 1 1    8   27  -29 o   74.466   3.6769  1678.84  158.091  1724.89  223.902  1633.05  223.247   75.528   5.1329   73.404   5.2660 2.124977 7.353765 
1 1 1    8   28  -29 o   56.029   5.1005  1011.45  161.452  900.039  244.912  1097.07  214.712   52.626   8.0580   59.432   6.2554 -6.806240 10.20101 
1 1 1    8   29  -29 o   92.420   3.7659  2591.92  175.764  2572.89  204.310  2646.12  344.755   93.019   3.8030   91.821   6.5010 1.198204 7.531714 
1 1 1    8   30  -29 o   48.160   4.6372  770.772  117.408  511.293  171.885  997.729  160.753   39.002   7.9014   57.318   4.8560 -18.31591 9.274349 
1 1 1    8   31  -29 o   39.976   5.3252  527.046  116.609  574.724  184.494  495.329  150.477   41.110   8.0585   38.843   6.9636 2.267628 10.65043 
1 1 1    8   32  -29 o   53.647   3.8862  895.917  120.228  957.364  171.346  836.323  168.740   55.569   5.3390   51.726   5.6484 3.842609 7.772308 
1 1 1    8   33  -29 o   31.846   6.6431  382.256  130.641  394.550  178.106  367.939  192.208   32.620   9.1062   31.073   9.6747 1.546972 13.28615 
1 1 1    8    0  -30 o  136.400   2.8751  5394.65  224.275  5339.19  298.426  5466.63  339.962  135.639   3.8163  137.161   4.3011 -0.000000 0.000000 
1 1 1    8    1  -30 o   12.340   4.3092 -377.5559  114.612 -234.8402  149.541 -580.7409  178.431   13.308   6.4289   11.373   5.7400 1.934796 8.618474 
1 1 1    8    2  -30 o  136.703   2.1904  5412.58  172.893  5581.88  247.407  5250.99  241.709  138.793   3.0865  134.613   3.1090 4.179993 4.380873 
1 1 1    8    3  -30 o   90.286   2.7912  2391.78  141.205  2475.25  180.925  2261.69  225.854   92.389   3.3907   88.183   4.4346 4.206276 5.582369 
1 1 1    8    4  -30 o   93.722   2.7404  2542.70  148.049  2339.89  203.564  2770.44  215.710   89.759   3.9268   97.684   3.8235 -7.924057 5.480762 
1 1 1    8    5  -30 o   99.426   3.7350  2852.01  187.392  2952.94  372.299  2817.76  216.866  100.341   6.4243   98.511   3.8117 1.830994 7.470013 
1 1 1    8    6  -30 f   93.888   4.0174  2561.51  217.845   0.0000   0.0000  2561.51  217.845  ?   ?    93.888   4.0174      ?      ? 
1 1 1    8    7  -30 o   89.391   3.0502  2323.56  156.296  2315.33  208.534  2334.10  236.093   89.250   4.0456   89.531   4.5659 -0.2811203 6.100341 
1 1 1    8    8  -30 o   81.513   4.3963  2097.58  159.546  2195.56  178.836  1715.51  353.155   86.967   3.5606   76.060   8.0394 10.90694 8.792613 
1 1 1    8    9  -30 o   20.211   6.7099 -242.9689  191.279 -172.1634  234.464 -383.8699  330.750   19.403   8.9569   21.018   9.9932 -1.615694 13.41981 
1 1 1    8   10  -30 o  204.742   1.6543 12173.77  189.990 12299.93  242.150 11971.75  306.433  206.189   2.0335  203.295   2.6099 2.893204 3.308545 
1 1 1    8   11  -30 o  133.694   1.8865  5179.48  145.637  5189.32  203.950  5169.25  208.033  133.829   2.6387  133.560   2.6969 0.2691040 3.773085 
1 1 1    8   12  -30 o  237.101   1.7898 16277.58  244.957 16006.87  339.852 16570.29  353.387  235.059   2.5034  239.143   2.5586 -4.083923 3.579599 
1 1 1    8   13  -30 o   87.089   3.0954  2213.70  148.911  2211.86  249.966  2214.72  185.399   86.928   4.9789   87.251   3.6792 -0.3230667 6.190830 
1 1 1    8   14  -30 o  142.964   2.3475  5940.96  193.368  5943.73  264.572  5937.79  283.318  143.032   3.2028  142.896   3.4330 0.1358643 4.694979 
1 1 1    8   15  -30 o   14.012   4.9215 -393.2381  133.416 -470.4749  244.830 -360.6148  159.117   15.828   7.7719   12.196   6.0402 3.632161 9.843053 
1 1 1    8   16  -30 o   63.851   4.6276  1174.29  154.969  1123.42  182.445  1306.08  293.645   61.810   5.1108   65.893   7.7162 -4.082779 9.255244 
1 1 1    8   17  -30 o   27.109   6.8342  179.337  149.368  330.836  199.594 -13.5102  225.191   32.399   9.8177   21.818   9.5098 10.58172 13.66836 
1 1 1    8   18  -30 o  107.391   2.3865  3395.52  143.516  3506.98  183.635  3220.61  230.042  109.813   2.8954  104.970   3.7945 4.843681 4.773061 
1 1 1    8   19  -30 o   15.190   7.5313 -811.1173  162.489 -548.6316  249.991 -1003.1300  213.815   15.190   7.5313  ?   ?       ?      ? 
1 1 1    8   20  -30 o  150.161   2.2360  6677.38  161.301  6759.09  183.629  6401.35  337.512  152.644   2.0829  147.677   3.9572 4.966324 4.471938 
1 1 1    8   21  -30 o   77.904   3.2451  1801.22  135.206  1810.16  163.366  1781.79  240.887   78.575   3.5999   77.233   5.4004 1.342064 6.490263 
1 1 1    8   22  -30 o   51.263   5.8989  738.809  159.877  619.140  186.258  1073.80  311.628   44.792   7.1999   57.733   9.3461 -12.94035 11.79778 
1 1 1    8   23  -30 o   50.162   4.7291  747.588  130.176  863.336  227.958  691.577  158.575   52.535   7.5131   47.788   5.7455 4.746792 9.458216 
1 1 1    8   24  -30 o   46.048   6.3207  644.910  138.105  599.204  155.546  815.126  300.172   44.237   6.0882   47.859   11.079 -3.621952 12.64131 
1 1 1    8   25  -30 o   65.502   5.6098  1410.80  162.718  1306.06  365.760  1436.65  181.687   61.728   10.260   69.276   4.5410 -7.548286 11.21960 
1 1 1    8   26  -30 o  112.581   2.3002  3726.91  144.054  3707.18  180.795  3761.20  238.395  112.474   2.7832  112.689   3.6629 -0.2158661 4.600387 
1 1 1    8   27  -30 o   39.528   6.3751  519.968  140.512  422.808  179.753  672.604  225.300   34.930   8.8884   44.126   9.1412 -9.196259 12.75014 
1 1 1    8   28  -30 o   96.415   2.6423  2770.47  146.470  2831.50  199.376  2698.91  215.887   97.720   3.5327   95.110   3.9302 2.610275 5.284551 
1 1 1    8   29  -30 o   44.430   6.4388  624.409  165.220   0.0000   0.0000  624.409  165.220  ?   ?    44.430   6.4388      ?      ? 
1 1 1    8   30  -30 o   40.378   5.7094  545.858  125.474  584.674  211.099  524.653  156.026   40.323   9.2599   40.433   6.6816 -0.1096039 11.41881 
1 1 1    8   31  -30 f   53.092   4.8649  916.023  146.111  935.987  230.876  902.686  188.707   52.951   7.5495   53.232   6.1380 -0.2814941 9.729885 
1 1 1    8   32  -30 o   64.817   4.3123  1296.32  150.499  1203.72  180.367  1508.56  273.065   62.223   5.0190   67.410   7.0138 -5.186707 8.624638 
1 1 1    8    0  -31 o  133.927   3.3018  5264.14  252.271  5597.17  341.518  4864.21  374.257  138.735   4.2714  129.119   5.0361 -0.000000 0.000000 
1 1 1    8    1  -31 o   66.941   2.9090  1304.80  111.901  1297.17  166.534  1311.09  151.094   66.735   4.3208   67.146   3.8962 -0.4108353 5.818025 
1 1 1    8    2  -31 o   78.030   2.8696  1768.37  128.953  1814.16  190.676  1729.76  175.058   78.941   4.1823   77.119   3.9304 1.821785 5.739278 
1 1 1    8    3  -31 o   60.460   4.3020  1058.96  148.213  987.625  191.984  1164.19  233.180   58.034   5.7279   62.886   6.4203 -4.851570 8.604003 
1 1 1    8    4  -31 o  127.220   2.0766  4694.64  145.462  4698.21  180.376  4687.99  245.998  127.369   2.4521  127.071   3.3520 0.2974243 4.153102 
1 1 1    8    5  -31 o   52.840   5.7379  668.531  143.422  566.565  157.783  1153.42  344.076   43.877   6.2264   61.802   9.6398 -17.92428 11.47578 
1 1 1    8    6  -31 o   26.742   8.0328   53.494  207.280 -49.1254  371.287   99.960  249.839   27.450   12.081   26.035   10.590 1.414999 16.06565 
1 1 1    8    7  -31 o   48.884   5.0182  681.338  137.082  815.846  231.649  608.852  170.053   52.350   7.6617   45.418   6.4829 6.932411 10.03644 
1 1 1    8    8  -31 o   97.577   2.7023  2745.97  149.226  2896.88  238.661  2649.09  191.213   99.690   4.1452   95.465   3.4681 4.224968 5.404643 
1 1 1    8    9  -31 o   41.934   6.1912  555.248  146.140  643.667  194.581  440.839  221.341   46.517   7.2428   37.351   10.043 9.166115 12.38234 
1 1 1    8   10  -31 o   79.611   4.3219  1987.05  159.331  2077.19  180.792  1673.55  337.163   84.462   3.7062   74.760   7.8088 9.702103 8.643704 
1 1 1    8   11  -31 o   43.408   5.7198  575.203  139.922  666.554  202.353  491.505  193.691   47.217   7.4205   39.598   8.7064 7.618198 11.43957 
1 1 1    8   12  -31 o   22.067   6.5333   21.410  148.437 -214.2473  256.805  139.647  181.903   19.632   9.1683   24.502   9.3100 -4.869823 13.06654 
1 1 1    8   13  -31 o   18.201   5.8570 -132.4040  134.009 -218.5305  173.205  -3.9590  211.520   14.966   7.1479   21.436   9.2803 -6.469617 11.71398 
1 1 1    8   14  -31 o   60.579   4.7092  1098.24  164.478  1030.11  233.205  1165.67  232.013   58.637   6.8863   62.522   6.4253 -3.885300 9.418327 
1 1 1    8   15  -31 o   64.638   4.3530  1251.10  159.829  1213.54  247.187  1278.09  209.518   63.603   6.7292   65.674   5.5239 -2.071266 8.706038 
1 1 1    8   16  -31 o   14.551   5.1848 -851.3265  201.717 -947.0770  293.228 -765.3071  277.928   14.310   7.2384   14.791   7.4252 -0.4812078 10.36958 
1 1 1    8   17  -31 o   27.043   7.2342  195.905  150.592  235.693  177.888   95.273  282.904   27.799   9.3606   26.287   11.032 1.511328 14.46840 
1 1 1    8   18  -31 o   35.637   8.1050  421.525  181.099  423.543  216.745  416.858  329.613   35.689   10.075   35.585   12.699 0.1041222 16.21006 
1 1 1    8   19  -31 o   83.918   4.2960  2178.79  160.908  2040.67  365.565  2211.98  179.202   81.009   7.8135   86.826   3.5736 -5.817009 8.591928 
1 1 1    8   20  -31 o   59.316   3.9484  1057.59  134.358  902.619  185.335  1229.25  195.060   54.614   5.8758   64.018   5.2757 -9.404758 7.896719 
1 1 1    8   21  -31 o  122.765   2.1359  4383.66  147.756  4544.72  238.315  4283.10  188.319  124.412   3.3167  121.119   2.6921 3.292450 4.271776 
1 1 1    8   22  -31 o   52.719   4.5318  845.624  136.666  703.278  182.797  1026.03  205.789   47.631   6.6450   57.808   6.1638 -10.17738 9.063608 
1 1 1    8   23  -31 o   55.558   4.0548  944.184  129.978  947.601  180.163  940.475  187.701   55.736   5.5968   55.380   5.8685 0.3565750 8.109522 
1 1 1    8   24  -31 o   63.084   3.4203  1200.80  124.511  1201.94  179.753  1199.75  172.633   63.056   4.9358   63.111   4.7362 -0.5453873E-01 6.840647 
1 1 1    8   25  -31 o   18.579   6.2569 -188.6474  151.663 -238.1324  174.826 -38.1317  304.901   14.258   6.9031   22.900   10.437 -8.642285 12.51371 
1 1 1    8   26  -31 o   20.899   6.2841   56.188  128.700  113.356  211.009   22.323  162.406   23.062   9.5915   18.737   8.1219 4.324253 12.56826 
1 1 1    8   27  -31 o   83.357   3.8328  2084.37  174.303  2317.76  306.460  1972.76  211.919   85.937   6.1746   80.777   4.5425 5.159447 7.665504 
1 1 1    8   28  -31 o   42.162   6.0783  628.141  140.663  674.734  179.030  552.980  227.383   45.838   6.7627   38.487   10.102 7.350979 12.15652 
1 1 1    8   29  -31 o   56.967   4.0866  1032.26  132.436  1141.82  180.297  903.868  195.171   60.779   5.1363   53.155   6.3575 7.624516 8.173100 
1 1 1    8   30  -31 o   54.163   3.7573  916.672  117.391  931.601  170.733  903.287  161.669   54.493   5.4249   53.833   5.1999 0.6603279 7.514542 
1 1 1    8    0  -32 o   37.023   8.8001  526.377  168.456  552.774  234.533  498.247  242.112   38.582   12.010   35.464   12.866 -0.000000 0.000000 
1 1 1    8    1  -32 o  134.421   2.2613  5234.33  175.553   0.0000   0.0000  5234.33  175.553  ?   ?   134.421   2.2613      ?      ? 
1 1 1    8    2  -32 o   52.086   4.2732  821.936  124.918  679.521  189.153  932.090  166.355   47.815   6.8496   56.356   5.1110 -8.541546 8.546329 
1 1 1    8    3  -32 o   68.026   4.9305  1375.51  192.315  1361.60  256.564  1393.34  290.544   67.752   6.5567   68.301   7.3655 -0.5488663 9.861084 
1 1 1    8    4  -32 o   42.712   7.3087  540.125  170.999  440.127  208.230  747.220  299.663   37.254   9.6135   48.170   11.011 -10.91663 14.61746 
1 1 1    8    5  -32 o   50.448   7.1379  770.074  185.136  866.083  352.556  733.519  217.544   51.435   12.075   49.460   7.6157 1.975395 14.27590 
1 1 1    8    6  -32 o   27.746   6.8603  143.415  155.951  405.793  229.284 -82.4685  212.741   35.726   10.450   19.765   8.8916 15.96137 13.72070 
1 1 1    8    7  -32 o   55.557   3.5909  909.483  114.612  887.352  169.836  927.990  155.307   54.879   5.3585   56.236   4.7818 -1.356632 7.181855 
1 1 1    8    8  -32 o   70.278   4.0216  1514.89  155.594  1239.35  246.621  1697.09  200.544   64.477   6.6227   76.079   4.5642 -11.60172 8.043150 
1 1 1    8    9  -32 o   54.002   6.4017  952.892  153.745  986.130  173.334  830.276  332.924   57.839   5.1890   50.166   11.705 7.672791 12.80349 
1 1 1    8   10  -32 o   38.774   9.2932  483.427  254.809  330.795  373.142  616.792  348.798   34.747   13.303   42.801   12.980 -8.053577 18.58640 
1 1 1    8   11  -32 o   60.434   5.7001  1084.33  198.953  1084.33  198.953   0.0000   0.0000   60.434   5.7001  ?   ?       ?      ? 
1 1 1    8   12  -32 o  100.757   3.5400  3026.17  196.402  2906.38  328.042  3093.10  245.206   98.826   5.7474  102.687   4.1346 -3.861343 7.080082 
1 1 1    8   13  -32 o   58.537   4.7635  1061.18  156.241  831.989  230.907  1254.72  212.194   52.180   7.6621   64.894   5.6616 -12.71444 9.526930 
1 1 1    8   14  -32 o   31.241   7.1743  311.608  147.242  312.751  225.337  310.756  194.510   31.392   10.535   31.090   9.7410 0.3024845 14.34860 
1 1 1    8   15  -32 o   54.491   4.9988  928.701  152.952  758.154  228.679  1066.76  205.746   49.429   8.0105   59.554   5.9819 -10.12436 9.997524 
1 1 1    8   16  -32 o  122.104   2.0109  4355.47  141.545  4233.15  204.782  4467.38  195.866  120.416   2.9446  123.793   2.7395 -3.376953 4.021891 
1 1 1    8   17  -32 o   31.373   7.2813  324.115  161.919  169.464  243.347  446.982  216.904   26.487   10.564   36.258   10.023 -9.770641 14.56260 
1 1 1    8   18  -32 o   82.321   3.2059  2025.39  150.986  1947.83  226.957  2086.97  202.230   80.713   4.8687   83.929   4.1721 -3.215179 6.411723 
1 1 1    8   19  -32 o   51.336   4.9149  821.651  144.227  685.505  201.226  965.477  206.825   46.669   7.4658   56.004   6.3944 -9.335236 9.829859 
1 1 1    8   20  -32 o  124.337   2.5024  4561.23  179.586  4559.88  249.631  4562.68  258.550  124.365   3.4755  124.309   3.6013 0.5580902E-01 5.004808 
1 1 1    8   21  -32 o   65.188   4.9190  1324.74  141.004  1349.84  330.236  1319.15  155.933   63.792   8.9633   66.583   4.0550 -2.790173 9.837906 
1 1 1    8   22  -32 o   35.095   8.2990  417.281  177.121  600.457  357.603  357.737  203.886   38.429   13.265   31.761   9.9766 6.667473 16.59808 
1 1 1    8   23  -32 f   56.323   6.1378  1105.78  179.515  1221.38  225.791  907.168  295.964   62.576   6.2476   50.069   10.567 12.50718 12.27564 
1 1 1    8   24  -32 o   13.202   6.6564 -715.2550  151.307 -663.5855  236.676 -750.9690  196.769   13.202   6.6564  ?   ?       ?      ? 
1 1 1    8   25  -32 o   35.837   6.8627  463.022  143.953  491.918  224.336  442.795  187.691   36.384   10.242   35.290   9.1371 1.094448 13.72541 
1 1 1    8   26  -32 o   21.430   6.4381   3.2401  139.720  248.588  236.355 -128.5515  173.228   27.126   10.533   15.734   7.4059 11.39141 12.87614 
1 1 1    8   27  -32 o   42.927   6.7985  712.133  144.458  594.102  306.711  745.781  163.759   37.174   12.286   48.680   5.8246 -11.50606 13.59701 
1 1 1    8   28  -32 o   40.937   7.0310  560.840  146.483  473.735  167.880  838.706  299.843   36.646   8.1434   45.228   11.464 -8.581539 14.06192 
1 1 1    8    0  -33 o   49.891   8.7804  903.661  203.515  804.045  360.336  950.322  246.615   44.898   15.446   54.884   8.3541 -0.000000 0.000000 
1 1 1    8    1  -33 o   18.545   5.8764 -100.2053  137.206 -262.4836  205.038   31.388  184.638   16.112   7.7173   20.977   8.8640 -4.865067 11.75275 
1 1 1    8    2  -33 o   16.547   5.5424 -216.4553  141.632 -254.1702  202.681 -180.4631  197.998   16.096   7.6999   16.997   7.9740 -0.9012203 11.08480 
1 1 1    8    3  -33 o   25.433   6.7468  138.577  142.087  268.576  201.978   11.213  199.921   29.722   9.9744   21.145   9.0878 8.577541 13.49359 
1 1 1    8    4  -33 o   36.882   5.8940  525.355  128.222  682.669  151.018  119.040  242.704   48.000   5.4476   25.764   10.454 22.23562 11.78793 
1 1 1    8    5  -33 o   35.220   7.0621  418.188  144.905  458.316  169.457  309.017  279.501   38.142   7.9503   32.299   11.674 5.842926 14.12426 
1 1 1    8    6  -33 o   61.225   4.2529  1141.63  145.814  1007.34  227.668  1235.03  189.866   57.826   6.8170   64.625   5.0870 -6.798691 8.505854 
1 1 1    8    7  -33 o   77.936   4.6776  1918.90  167.039  1669.60  359.849  1987.37  188.588   73.536   8.4730   82.337   3.9658 -8.801224 9.355192 
1 1 1    8    8  -33 o   71.263   3.7005  1493.66  151.602  1655.38  228.007  1365.51  202.966   74.671   5.2870   67.856   5.1790 6.814545 7.401021 
1 1 1    8    9  -33 o   70.806   3.3142  1495.49  133.758  1235.38  190.497  1748.44  187.857   64.522   5.1120   77.090   4.2193 -12.56838 6.628383 
1 1 1    8   10  -33 o   80.550   3.6666  1924.94  169.695  1883.33  227.685  1976.93  254.523   79.678   4.9478   81.422   5.4125 -1.743423 7.333201 
1 1 1    8   11  -33 o   60.269   5.8636  1147.95  193.398  1082.98  323.223  1184.19  241.373   58.135   9.6267   62.403   6.6973 -4.267380 11.72719 
1 1 1    8   12  -33 o   48.963   6.6232  681.344  131.642  939.532  355.975  640.441  141.687   51.643   12.140   46.282   5.3007 5.361706 13.24648 
1 1 1    8   13  -33 o   15.594   5.3393 -283.0111  144.570 -232.6993  183.073 -366.3659  235.643   15.075   7.2393   16.114   7.8502 -1.039216 10.67863 
1 1 1    8   14  -33 o   41.679   5.5895  557.821  128.637  577.542  195.883  542.867  170.572   42.098   8.3513   41.260   7.4313 0.8383408 11.17896 
1 1 1    8   15  -33 o  119.147   2.2768  4193.74  151.974  4038.37  244.249  4291.89  194.128  117.094   3.6117  121.201   2.7733 -4.107117 4.553656 
1 1 1    8   16  -33 o   70.451   4.4824  1561.96  150.474  1593.90  171.762  1456.51  312.057   73.317   4.0564   67.585   7.9947 5.731941 8.964869 
1 1 1    8   17  -33 o   26.081   6.8311  194.832  147.850   25.506  232.456  309.868  191.600   22.015   9.6270   30.147   9.6943 -8.132566 13.66227 
1 1 1    8   18  -33 o   16.914   5.6135 -148.2195  139.122 -107.5070  186.027 -199.8876  209.567   17.102   7.9241   16.727   7.9533 0.3751278 11.22702 
1 1 1    8   19  -33 o  125.083   2.4809  4628.59  179.017  4711.31  248.787  4539.78  257.789  126.323   3.4100  123.843   3.6042 2.479805 4.961714 
1 1 1    8   20  -33 o   47.888   5.0096  664.904  127.950  910.574  243.398  571.089  150.410   52.870   7.9712   42.906   6.0698 9.963799 10.01911 
1 1 1    8   21  -33 o   17.148   5.6783 -152.3555  144.893 -42.5409  188.425 -311.2419  226.647   18.376   8.3079   15.919   7.7428 2.457001 11.35665 
1 1 1    8   22  -33 o   44.714   6.0111  704.203  148.339  910.536  203.189  468.731  217.063   53.670   6.5552   35.757   10.078 17.91260 12.02224 
1 1 1    8   23  -33 o   66.847   4.0796  1391.69  154.437  1398.68  200.586  1381.52  242.015   67.547   5.1417   66.146   6.3352 1.401924 8.159114 
1 1 1    8   24  -33 o   18.513   6.3555 -243.6371  185.406 -312.1291  363.374 -219.5298  215.580   20.661   9.9910   16.365   7.8581 4.296362 12.71103 
1 1 1    8   25  -33 o   62.739   6.5678  1532.97  158.077  1137.21  370.827  1620.85  174.750   52.210   12.469   73.268   4.1297 -21.05802 13.13552 
1 1 1    8   26  -33 o   32.835   7.2645  411.452  149.427  499.894  244.227  358.535  188.912   34.983   10.908   30.686   9.5974 4.296534 14.52890 
1 1 1    8    0  -34 o   27.664   7.4024  228.399  173.049  647.476  245.137 -187.8994  244.323   42.159   11.641   13.170   9.1468 -0.000000 0.000000 
1 1 1    8    1  -34 o   36.831   6.1304  448.648  136.249  259.357  199.766  613.291  186.307   28.909   9.9182   44.753   7.2081 -15.84438 12.26082 
1 1 1    8    2  -34 o   51.565   5.5379  861.836  149.747  730.892  248.255  936.729  187.748   47.274   9.4234   55.857   5.8199 -8.582973 11.07575 
1 1 1    8    3  -34 o   53.695   4.4539  875.318  137.222  910.245  186.411  834.005  202.739   55.030   5.8653   52.360   6.7043 2.669376 8.907778 
1 1 1    8    4  -34 o   51.104   5.2067  781.015  148.933  716.254  185.880  897.138  248.905   48.527   6.6323   53.682   8.0282 -5.154873 10.41345 
1 1 1    8    5  -34 o   66.163   3.3606  1316.94  124.604  1381.08  160.580  1219.87  197.541   68.459   4.0614   63.868   5.3554 4.591087 6.721241 
1 1 1    8    6  -34 o   65.108   5.6258  1316.86  200.448  1342.58  342.586  1303.47  247.175   64.799   9.1540   65.417   6.5422 -0.6178589 11.25155 
1 1 1    8    7  -34 o  114.765   2.5464  3915.50  160.117  3713.94  269.491  4025.48  199.063  112.130   4.1614  117.400   2.9359 -5.270294 5.092765 
1 1 1    8    8  -34 o  112.758   2.3288  3722.95  145.932  3738.27  241.852  3714.18  183.000  112.715   3.7152  112.802   2.8090 -0.8629608E-01 4.657596 
1 1 1    8    9  -34 o   52.416   6.0407  872.553  163.527  917.750  296.394  852.774  196.069   52.026   10.229   52.805   6.4291 -0.7784576 12.08145 
1 1 1    8   10  -34 o   74.981   4.8938  1766.69  199.209  1647.07  337.358  1830.72  246.839   72.071   8.1049   77.890   5.4871 -5.819481 9.787625 
1 1 1    8   11  -34 o   61.368   4.6747  1163.01  165.067  1144.89  242.676  1178.61  225.184   60.736   6.9182   62.000   6.2887 -1.263649 9.349339 
1 1 1    8   12  -34 o   80.017   3.9607  1888.14  155.331  2052.56  323.647  1838.93  177.055   81.204   6.9010   78.831   3.8889 2.372612 7.921315 
1 1 1    8   13  -34 o   19.817   6.5661 -162.2878  185.539 -210.2846  296.476 -131.3890  237.878   20.425   9.6365   19.209   8.9215 1.216093 13.13227 
1 1 1    8   14  -34 o   58.728   5.7590  1171.22  171.766  1276.32  211.373  966.896  294.728   64.651   5.6609   52.805   10.031 11.84595 11.51803 
1 1 1    8   15  -34 o   41.477   7.7682  616.054  185.613  556.073  237.403  710.378  297.709   39.402   10.312   43.552   11.620 -4.149681 15.53638 
1 1 1    8   16  -34 o   20.635   6.1004   19.475  131.338 -132.8766  182.803  182.027  188.824   16.403   7.6844   24.867   9.4767 -8.464350 12.20072 
1 1 1    8   17  -34 o   73.738   3.2817  1636.23  139.438  1671.34  205.063  1606.04  190.168   74.383   4.7734   73.092   4.5049 1.291397 6.563451 
1 1 1    8   18  -34 o   72.805   3.9833  1630.62  167.393  1557.36  233.001  1708.76  240.643   71.083   5.6755   74.528   5.5907 -3.444885 7.966688 
1 1 1    8   19  -34 o   76.635   4.0055  1813.79  176.699  1822.92  260.625  1806.02  240.380   76.610   5.8905   76.660   5.4293 -0.5026245E-01 8.010919 
1 1 1    8   20  -34 o   61.362   6.4183  1372.20  192.266  1068.30  340.078  1514.97  233.094   52.906   11.461   69.818   5.7807 -16.91153 12.83651 
1 1 1    8   21  -34 o   54.638   5.3826  1017.70  150.921  885.542  258.655  1085.92  185.835   50.023   9.2951   59.253   5.4304 -9.230331 10.76515 
1 1 1    8   22  -34 o   65.374   4.8457  1290.29  129.566  1518.43  340.983  1251.79  140.072   66.065   8.9367   64.684   3.7494 1.380257 9.691409 
1 1 1    8   23  -34 o   75.178   4.6814  1774.06  189.884  1989.68  340.193  1676.49  228.850   77.048   7.6450   73.308   5.4053 3.740517 9.362867 
1 1 1    8   24  -34 o   44.726   5.6288  684.594  141.298  574.938  190.680  818.139  210.427   40.070   8.5028   49.382   7.3781 -9.312767 11.25758 
1 1 1    8    0  -35 o   39.006   10.162  608.376  203.160  516.059  248.543  794.247  352.670   34.876   13.170   43.137   15.479 -0.000000 0.000000 
1 1 1    8    1  -35 o   45.623   5.9156  688.971  140.476  633.634  246.730  715.512  170.875   42.854   10.129   48.393   6.1139 -5.538532 11.83112 
1 1 1    8    2  -35 o   47.020   4.8467  679.532  130.982  627.189  175.037  746.140  197.455   45.038   6.7293   49.002   6.9770 -3.964275 9.693403 
1 1 1    8    3  -35 o   67.305   4.0619  1367.21  151.247  1344.60  188.235  1408.42  254.067   66.996   4.8648   67.614   6.5062 -0.6178284 8.123806 
1 1 1    8    4  -35 o   54.289   4.7126  908.822  145.193  927.019  227.842  896.379  188.403   54.414   7.2499   54.163   6.0228 0.2512054 9.425274 
1 1 1    8    5  -35 o   31.027   5.8448  295.597  112.362  494.845  175.444  157.042  146.303   38.814   8.0887   23.239   8.4391 15.57500 11.68955 
1 1 1    8    6  -35 o   68.651   5.2583  1449.18  179.665  1560.43  362.947  1413.07  206.777   68.892   9.1219   68.410   5.2335 0.4821701 10.51662 
1 1 1    8    7  -35 o   70.750   3.8052  1520.82  154.258  1480.46  231.039  1553.28  207.210   69.670   5.7419   71.830   4.9948 -2.159470 7.610350 
1 1 1    8    8  -35 o   12.834   4.5016 -380.8214  126.217 -404.2184  187.545 -361.4513  170.644   13.079   6.4912   12.590   6.2387 0.4889917 9.003179 
1 1 1    8    9  -35 o   37.356   7.9815  461.883  166.972   0.0000   0.0000  461.883  166.972  ?   ?    37.356   7.9815      ?      ? 
1 1 1    8   10  -35 o   30.696   6.8492  326.953  144.634  183.120  215.326  445.195  195.233   25.575   10.020   35.816   9.3410 -10.24127 13.69844 
1 1 1    8   11  -35 o   92.661   2.8851  2486.76  149.157  2833.49  251.264  2298.09  185.347   97.220   4.4750   88.102   3.6426 9.117699 5.770113 
1 1 1    8   12  -35 o   27.685   7.1596  224.855  161.756  397.601  228.718   51.990  228.796   33.118   10.586   22.252   9.6426 10.86665 14.31911 
1 1 1    8   13  -35 o   39.681   6.0456  548.748  135.263  631.859  176.716  431.167  210.192   44.714   6.8430   34.647   9.9684 10.06706 12.09111 
1 1 1    8   14  -35 o   50.005   7.6303  972.988  203.332  740.646  366.767  1076.08  244.314   42.076   13.400   57.933   7.3019 -15.85715 15.26054 
1 1 1    8   15  -35 o   31.367   5.6922  319.899  108.330  495.887  165.359  187.578  143.384   38.594   7.6886   24.140   8.3958 14.45448 11.38442 
1 1 1    8   16  -35 o   69.257   3.3593  1469.51  130.929  1533.51  169.843  1375.77  205.547   71.549   4.1101   66.965   5.3147 4.584473 6.718577 
1 1 1    8   17  -35 f   23.068   6.4429  143.541  126.864  110.479  172.705  182.291  186.969   21.677   8.8098   24.459   9.4039 -2.782003 12.88590 
1 1 1    8   18  -35 o   30.093   6.5677  309.022  127.432  212.320  166.236  446.825  198.444   25.203   9.0159   34.984   9.5527 -9.781569 13.13545 
1 1 1    8   19  -35 o   38.023   5.7181  479.749  117.534  574.999  199.209  428.886  145.571   40.313   8.8029   35.733   7.3004 4.579891 11.43622 
1 1 1    8   20  -35 f   22.349   6.6750  110.517  146.849  111.237  224.865  109.981  193.909   22.773   9.7086   21.926   9.1631 0.8474636 13.34993 
1 1 1    8   21  -35 o   14.574   5.1460 -511.1920  174.938 -470.8976  259.809 -544.6126  236.613   15.346   7.6204   13.802   6.9177 1.543656 10.29202 
1 1 1    8   22  -35 o   68.654   4.6774  1491.95  171.372  1405.13  204.640  1695.79  313.555   66.903   5.2962   70.406   7.7112 -3.503365 9.354751 
1 1 1    8    0  -36 o   76.673   4.8651  1811.43  211.395  1788.84  295.085  1835.25  302.986   76.206   6.8308   77.140   6.9293 -0.000000 0.000000 
1 1 1    8    1  -36 o   48.505   6.8285  739.784  191.290  739.784  191.290   0.0000   0.0000   48.505   6.8285  ?   ?       ?      ? 
1 1 1    8    2  -36 o   52.579   6.9120  913.500  178.945  871.198  206.758  1039.77  357.217   52.646   6.8000   52.512   12.036 0.1342125 13.82395 
1 1 1    8    3  -36 o   49.227   5.9060  838.680  152.580  944.847  193.257  662.980  248.615   55.284   6.0527   43.170   10.143 12.11470 11.81208 
1 1 1    8    4  -36 o   56.873   3.9263  956.630  125.561  1138.89  208.216  852.477  157.399   60.757   5.9338   52.989   5.1432 7.768555 7.852535 
1 1 1    8    5  -36 o   31.531   6.2019  317.370  137.042   72.059  189.277  587.650  198.676   21.364   8.9981   41.697   8.5374 -20.33288 12.40377 
1 1 1    8    6  -36 o   60.084   4.6741  1133.10  161.450  1268.20  231.140  1004.39  225.610   63.822   6.2707   56.345   6.9329 7.477280 9.348125 
1 1 1    8    7  -36 o   19.081   5.7861   17.978  118.564 -79.6675  175.868   99.333  160.530   17.028   7.8229   21.134   8.5274 -4.106453 11.57212 
1 1 1    8    8  -36 o   16.678   5.6372 -223.8219  152.893 -157.0381  221.668 -284.4250  211.161   17.825   8.3861   15.532   7.5357 2.293203 11.27443 
1 1 1    8    9  -36 o   17.754   5.6147 -30.1899  119.488 -94.3626  179.794   20.574  159.910   16.899   7.8159   18.610   8.0630 -1.711477 11.22944 
1 1 1    8   10  -36 o   12.808   6.4721 -687.0730  231.075   0.0000   0.0000 -687.0730  231.075  ?   ?    12.808   6.4721      ?      ? 
1 1 1    8   11  -36 o   28.019   6.7495  266.499  132.001  205.713  179.803  337.561  194.407   25.339   9.3319   30.700   9.7538 -5.361429 13.49895 
1 1 1    8   12  -36 o   54.757   4.0540  946.198  123.306  853.953  197.005  1005.61  158.105   51.938   6.5677   57.577   4.7546 -5.639488 8.108015 
1 1 1    8   13  -36 o   49.121   7.2214  879.588  195.871  877.091  303.117  881.378  256.653   48.063   11.138   50.179   9.1949 -2.116138 14.44276 
1 1 1    8   14  -36 o   16.677   5.7505 -356.1758  180.857 -224.1341  255.765 -488.2283  255.775   18.075   8.6474   15.278   7.5825 2.797206 11.50097 
1 1 1    8   15  -36 o   66.987   3.6939  1389.42  141.881  1446.73  192.492  1321.24  209.942   68.804   4.8441   65.170   5.5779 3.634125 7.387707 
1 1 1    8   16  -36 o   36.005   9.3656  475.280  196.598   0.0000   0.0000  475.280  196.598  ?   ?    36.005   9.3656      ?      ? 
1 1 1    8   17  -36 o   58.197   4.5832  1085.71  152.976  1132.47  231.899  1049.69  203.545   58.992   6.8064   57.401   6.1398 1.591751 9.166492 
1 1 1    8   18  -36 o   31.045   6.6995  327.162  144.978  127.006  190.052  605.748  224.217   22.134   9.1455   39.957   9.7924 -17.82303 13.39895 
1 1 1    8   19  -36 o   46.814   6.1140  790.581  157.198  820.753  203.821  746.285  246.964   49.569   7.1195   44.059   9.9416 5.509762 12.22794 
1 1 1    8    0  -37 o   13.991   6.9001 -204.7870  203.301 -283.9678  299.340 -136.9921  276.983   13.477   9.5193   14.505   9.9914 -0.000000 0.000000 
1 1 1    8    1  -37 o   81.717   4.6764  2167.18  182.283  2222.29  208.881  1991.17  373.288   86.082   4.2015   77.351   8.3559 8.730446 9.352699 
1 1 1    8    2  -37 o   25.728   6.7273  194.410  135.086  103.110  178.699  316.156  206.354   21.724   8.9102   29.731   10.081 -8.006424 13.45458 
1 1 1    8    3  -37 o   13.602   4.8136 -496.0890  147.439 -612.9018  193.141 -332.9460  228.251   11.515   5.8300   15.689   7.6613 -4.174201 9.627290 
1 1 1    8    4  -37 o   33.070   7.0901  402.148  155.843  250.659  226.196  539.033  215.018   27.418   10.391   38.722   9.6494 -11.30358 14.18010 
1 1 1    8    5  -37 o   46.456   5.5229  613.041  134.335  1033.55  258.398  457.298  157.256   55.945   7.9973   36.966   7.6191 18.97824 11.04570 
1 1 1    8    6  -37 o   38.859   5.8516  517.086  127.252  503.396  182.852  529.943  177.204   38.173   8.5109   39.545   8.0330 -1.371555 11.70318 
1 1 1    8    7  -37 o   23.220   6.4790  150.246  128.152  154.460  179.036  145.819  183.515   23.313   9.1355   23.127   9.1899 0.1854248 12.95807 
1 1 1    8    8  -37 o   20.148   6.3219   4.4363  149.496  114.101  166.901 -440.6300  336.230   21.572   8.6981   18.725   9.1766 2.846764 12.64385 
1 1 1    8    9  -37 o   36.998   7.1793  476.102  159.361  731.804  259.711  321.686  201.822   44.343   10.333   29.653   9.9705 14.69029 14.35867 
1 1 1    8   10  -37 o   15.125   5.3917 -547.5673  181.679 -852.6168  368.730 -449.7687  208.780   16.768   8.4357   13.482   6.7174 3.285404 10.78349 
1 1 1    8   11  -37 o   45.212   4.8155  617.404  118.487  904.445  200.139  462.510  147.020   53.149   6.5201   37.274   7.0885 15.87477 9.631088 
1 1 1    8   12  -37 o   21.983   6.8619   65.781  152.822   69.388  175.832   54.641  308.998   20.245   8.6068   23.722   10.690 -3.476784 13.72385 
1 1 1    8   13  -37 o   47.426   5.5109  783.827  141.529  622.677  213.177  910.841  189.257   41.389   9.1603   53.463   6.1294 -12.07360 11.02181 
1 1 1    8   14  -37 o   17.692   5.5921 -18.0666  117.089 -76.1879  156.628   55.561  176.288   15.679   7.2670   19.705   8.5015 -4.025687 11.18414 
1 1 1    8   15  -37 o   14.750   4.9472 -153.6315  115.441 -255.3152  163.588 -52.7609  162.932   13.079   6.4078   16.422   7.5391 -3.342902 9.894349 
1 1 1    8    0  -38 o   28.303   7.7027  356.723  146.035  151.760  208.432  554.351  204.668   18.504   11.042   38.102   10.742 -0.000000 0.000000 
1 1 1    8    1  -38 o   21.487   6.5257   74.859  147.097  136.824  181.035 -45.5370  252.346   22.513   9.0655   20.460   9.3891 2.053356 13.05140 
1 1 1    8    2  -38 o   61.058   6.2432  1244.93  211.798  1116.43  261.404  1490.50  361.360   57.740   7.8389   64.377   9.7191 -6.637295 12.48631 
1 1 1    8    3  -38 o   46.915   5.4770  740.878  136.363  737.006  231.294  742.940  168.825   45.363   9.1441   48.467   6.0312 -3.103573 10.95399 
1 1 1    8    4  -38 o   33.245   7.0585  426.811  136.641  371.053  301.233  441.255  153.322   30.544   11.883   35.945   7.6219 -5.401350 14.11709 
1 1 1    8    5  -38 o   28.167   7.3939  278.654  154.192  367.585  261.549  231.281  190.892   30.491   11.251   25.843   9.5967 4.648420 14.78780 
1 1 1    8    6  -38 o   29.447   6.4565  323.023  125.245  390.318  167.004  236.525  189.339   32.925   8.6647   25.970   9.5744 6.955645 12.91306 
1 1 1    8    7  -38 o   17.493   5.7219 -91.3785  128.922   30.648  218.020 -156.9913  159.868   20.598   9.1517   14.389   6.8707 6.209516 11.44381 
1 1 1    8    8  -38 o   20.190   6.5590 -27.9681  146.170   88.387  304.139 -62.9156  166.682   23.909   10.703   16.471   7.5852 7.437445 13.11809 
1 1 1    8    9  -38 o   38.197   6.5839  505.532  140.707  731.623  237.907  383.900  174.498   44.252   9.5860   32.143   9.0277 12.10819 13.16780 
1 1 1    8   10  -38 o   21.799   6.7503   82.409  159.474   67.763  257.420   91.530  203.154   22.237   9.9081   21.362   9.1705 0.8745785 13.50068 
1 1 1    8   11  -38 o   22.070   6.2471  115.903  126.084   4.8589  168.836  255.912  189.581   17.934   8.0052   26.205   9.5927 -8.270798 12.49411 
1 1 1    9    0    0 -   8.5190   6.1362 -557.3682   97.687 -768.4237  128.597 -269.4268  150.205   8.5190   6.1362   8.5190   6.1362 -0.000000 0.000000 
1 1 1    9    1    0 o   91.870   1.9131  2425.95   90.450  2483.26  173.366  2404.51  106.024   92.558   3.2522   91.182   2.0155 -0.000000 0.000000 
1 1 1    9    2    0 o  391.569   2.5361 44292.14  573.423 44327.72  810.130 44256.41  811.757  391.727   3.5815  391.411   3.5916 -0.000000 0.000000 
1 1 1    9    3    0 o  259.424   1.9494 19438.55  292.037 19438.55  292.037   0.0000   0.0000  259.424   1.9494  259.424   1.9494 -0.000000 0.000000 
1 1 1    9    4    0 o  595.668   3.0580 102245.40  992.819 101746.70  1215.84 103243.40  1719.92  593.523   3.5472  597.813   4.9822 -0.000000 0.000000 
1 1 1    9    5    0 o  539.425   3.3769 84061.67  1051.86 84076.13  1484.52 84047.09  1490.61  539.472   4.7655  539.378   4.7859 -0.000000 0.000000 
1 1 1    9    6    0 o  151.028   1.7480  6594.78  152.008  6628.73  208.169  6556.01  222.487  151.449   2.3813  150.606   2.5595 -0.000000 0.000000 
1 1 1    9    7    0 o  967.162   4.0122 270216.09  2240.93 268559.41  3167.79 271875.50  3170.51  964.194   5.6891  970.131   5.6591 -0.000000 0.000000 
1 1 1    9    8    0 o   34.226   6.8017  395.527  120.699  252.648  155.889  609.386  190.720   24.778   10.637   43.674   8.4792 -0.000000 0.000000 
1 1 1    9    9    0 o  554.676   2.8569 88509.41  863.337 87791.05  1055.98 89957.55  1499.30  551.321   3.3167  558.031   4.6528 -0.000000 0.000000 
1 1 1    9   10    0 o  113.547   1.5848  3724.66  103.522  3690.83  140.708  3764.58  152.849  112.990   2.1580  114.104   2.3216 -0.000000 0.000000 
1 1 1    9   11    0 o  396.920   2.4617 45509.82  564.205 45836.28  798.767 45184.76  797.047  398.341   3.4726  395.498   3.4900 -0.000000 0.000000 
1 1 1    9   12    0 o  327.121   1.5521 30906.71  293.200 30927.94  413.612 30885.28  415.690  327.234   2.1887  327.009   2.2012 -0.000000 0.000000 
1 1 1    9   13    0 o  405.470   2.7695 47500.93  648.351 46771.53  918.069 48226.64  915.748  402.362   3.9515  408.578   3.8815 -0.000000 0.000000 
1 1 1    9   14    0 o  221.958   1.9913 14230.45  255.219   0.0000   0.0000 14230.45  255.219  221.958   1.9913  221.958   1.9913 -0.000000 0.000000 
1 1 1    9   15    0 o  368.286   2.6223 39186.13  557.640 39071.62  789.718 39300.00  787.531  367.749   3.7191  368.823   3.6980 -0.000000 0.000000 
1 1 1    9   16    0 o  240.544   2.1348 16723.63  296.370 16247.91  419.859 17196.05  418.405  237.130   3.0669  243.958   2.9706 -0.000000 0.000000 
1 1 1    9   17    0 o   82.317   2.8863  1972.31  136.285  1855.70  191.847  2091.10  193.639   79.826   4.1876   84.808   3.9732 -0.000000 0.000000 
1 1 1    9   18    0 o  362.045   2.5458 37809.25  531.758 36252.35  734.537 39523.73  770.811  354.224   3.5913  369.866   3.6092 -0.000000 0.000000 
1 1 1    9   19    0 o  166.479   2.3709  8020.46  227.156  8097.45  311.086  7932.52  332.473  167.345   3.2214  165.612   3.4795 -0.000000 0.000000 
1 1 1    9   20    0 o   90.984   2.4085  2392.52  125.151  2006.09  171.568  2831.96  182.961   83.105   3.5898   98.863   3.2120 -0.000000 0.000000 
1 1 1    9   21    0 f   69.594   4.2204  1414.59  168.202   0.0000   0.0000  1414.59  168.202   69.594   4.2204   69.594   4.2204 -0.000000 0.000000 
1 1 1    9   22    0 o  274.248   2.7710 21730.63  438.794   0.0000   0.0000 21730.63  438.794  274.248   2.7710  274.248   2.7710 -0.000000 0.000000 
1 1 1    9   23    0 o   8.4502   4.3711 -400.4992  116.811 -215.0622  171.026 -562.6415  159.923   10.118   7.1559   6.7824   5.0218 -0.000000 0.000000 
1 1 1    9   24    0 o  117.679   1.9796  4079.09  131.768  3527.76  198.038  4517.08  176.510  110.376   3.1122  124.983   2.4474 -0.000000 0.000000 
1 1 1    9   25    0 o  477.464   2.9651 65879.14  817.200 66619.47  1174.65 65184.74  1137.63  480.058   4.2375  474.870   4.1487 -0.000000 0.000000 
1 1 1    9   26    0 o  604.574   3.6495 105701.70  1273.91 106921.90  1819.43 104528.20  1784.23  607.993   5.1823  601.156   5.1399 -0.000000 0.000000 
1 1 1    9   27    0 o  141.796   2.0495  5811.27  167.758   0.0000   0.0000  5811.27  167.758  141.796   2.0495  141.796   2.0495 -0.000000 0.000000 
1 1 1    9   28    0 o   37.441   6.1565  569.641  100.042  295.647  182.277  687.757  119.678   26.701   11.506   48.181   4.3843 -0.000000 0.000000 
1 1 1    9   29    0 o  ?   ?  -459.3125  108.914   0.0000   0.0000 -459.3125  108.914  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    9   30    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   31    0 o   56.552   4.9279  915.802  149.410  759.620  185.547  1203.84  251.978   49.854   6.8029   63.249   7.1314 -0.000000 0.000000 
1 1 1    9   32    0 o   35.879   8.4402  461.273  150.359  411.254  186.084  555.356  255.209   33.285   10.916   38.472   12.876 -0.000000 0.000000 
1 1 1    9   33    0 o  279.589   3.1400 22604.20  506.894 22604.20  506.894   0.0000   0.0000  279.589   3.1400  279.589   3.1400 -0.000000 0.000000 
1 1 1    9   34    0 o  119.500   3.8595  4143.11  265.739  4143.11  265.739   0.0000   0.0000  119.500   3.8595  119.500   3.8595 -0.000000 0.000000 
1 1 1    9   35    0 o  176.850   3.1740  9050.86  323.952  9050.86  323.952   0.0000   0.0000  176.850   3.1740  176.850   3.1740 -0.000000 0.000000 
1 1 1    9   36    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   37    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   38    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   39    0 o  145.130   3.9205  6114.82  328.069   0.0000   0.0000  6114.82  328.069  145.130   3.9205  145.130   3.9205 -0.000000 0.000000 
1 1 1    9   40    0 o   96.079   5.3795  2709.96  296.366   0.0000   0.0000  2709.96  296.366   96.079   5.3795   96.079   5.3795 -0.000000 0.000000 
1 1 1    9   41    0 o   79.096   6.3370  1863.47  285.209   0.0000   0.0000  1863.47  285.209   79.096   6.3370   79.096   6.3370 -0.000000 0.000000 
1 1 1    9   42    0 o   84.757   5.8288  2131.28  282.228   0.0000   0.0000  2131.28  282.228   84.757   5.8288   84.757   5.8288 -0.000000 0.000000 
1 1 1    9   43    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   44    0 o   42.640   12.621  686.723  270.302   0.0000   0.0000  686.723  270.302   42.640   12.621   42.640   12.621 -0.000000 0.000000 
1 1 1    9   45    0 o   25.163   11.649  290.788  186.965   0.0000   0.0000  290.788  186.965   25.163   11.649   25.163   11.649 -0.000000 0.000000 
1 1 1    9   46    0 o  124.012   2.9044  4483.08  207.766   0.0000   0.0000  4483.08  207.766  124.012   2.9044  124.012   2.9044 -0.000000 0.000000 
1 1 1    9   47    0 o   56.047   6.1575  972.941  193.185   0.0000   0.0000  972.941  193.185   56.047   6.1575   56.047   6.1575 -0.000000 0.000000 
1 1 1    9   48    0 f   38.545   10.015  543.933  192.652   0.0000   0.0000  543.933  192.652   38.545   10.015   38.545   10.015 -0.000000 0.000000 
1 1 1    9   49    0 o   18.622   11.753  122.674  268.838   0.0000   0.0000  122.674  268.838   18.622   11.753   18.622   11.753 -0.000000 0.000000 
1 1 1    9   50    0 o   86.211   5.7873  2285.10  285.174   0.0000   0.0000  2285.10  285.174   86.211   5.7873   86.211   5.7873 -0.000000 0.000000 
1 1 1    9    0   -1 o  424.902   2.3042 52073.67  534.104 51919.74  654.996 52379.12  922.691  423.985   2.6751  425.820   3.7525 -0.000000 0.000000 
1 1 1    9    1   -1 o  131.097   1.3844  5041.83   89.916  4810.37  180.222  5118.54  103.751  129.060   2.4179  133.134   1.3493 -4.074158 2.768889 
1 1 1    9    2   -1 o  184.330   1.0860  9787.84  113.496  9938.31  179.042  9686.76  146.748  185.511   1.6711  183.149   1.3873 2.361557 2.171926 
1 1 1    9    3   -1 o  194.609   1.4039 10946.44  147.854 10963.67  180.078 10910.80  259.004  194.846   1.6002  194.371   2.3072 0.4746857 2.807854 
1 1 1    9    4   -1 o  371.301   1.3560 39813.32  290.787 39652.01  410.392 39975.96  412.085  370.546   1.9177  372.057   1.9178 -1.510590 2.712042 
1 1 1    9    5   -1 o  572.802   1.8504 94669.50  606.199 94135.54  802.100 95380.70  925.717  570.925   2.4326  574.680   2.7891 -3.755005 3.700886 
1 1 1    9    6   -1 o  817.909   2.9232 193121.20  1301.49 193568.09  2256.88 192898.50  1593.07  818.580   4.7738  817.237   3.3752 1.343750 5.846446 
1 1 1    9    7   -1 o  217.753   1.2697 13694.24  159.666 13834.20  225.271 13552.96  226.335  218.871   1.7821  216.635   1.8090 2.236328 2.539363 
1 1 1    9    8   -1 o  356.934   2.0194 36872.11  392.058 36564.54  679.087 37025.88  480.163  355.807   3.3047  358.060   2.3219 -2.253357 4.038813 
1 1 1    9    9   -1 o  261.635   1.6382 19736.59  232.594 19863.48  406.231 19674.71  283.699  262.256   2.6820  261.014   1.8820 1.241425 3.276433 
1 1 1    9   10   -1 o  196.869   1.1376 11167.70  126.765 11069.55  163.375 11316.18  200.946  195.785   1.4448  197.953   1.7577 -2.167404 2.275279 
1 1 1    9   11   -1 o  584.849   2.1504 98841.44  685.624 98633.89  1184.13 98946.12  840.926  584.371   3.5085  585.327   2.4876 -0.9553833 4.300900 
1 1 1    9   12   -1 o  146.757   1.3608  6224.21  114.836  6172.31  170.191  6267.59  155.593  146.194   2.0157  147.319   1.8287 -1.125122 2.721611 
1 1 1    9   13   -1 o  211.909   1.1047 12981.88  128.674 12922.98  218.337 13013.23  159.272  211.539   1.7871  212.279   1.2991 -0.7405090 2.209405 
1 1 1    9   14   -1 o   93.880   2.2668  2534.28  122.617  2374.08  166.694  2723.17  181.001   90.661   3.1835   97.098   3.2276 -6.436821 4.533502 
1 1 1    9   15   -1 o  308.054   1.6217 27407.00  288.533 27454.89  408.148 27359.15  407.946  308.323   2.2921  307.785   2.2949 0.5381470 3.243499 
1 1 1    9   16   -1 o  381.520   2.3550 42050.30  489.022 42028.99  847.629 42060.94  598.708  381.430   3.8477  381.611   2.7165 -0.1813049 4.710042 
1 1 1    9   17   -1 o  303.946   2.3143 26686.87  406.202 27221.78  575.343 26155.25  573.574  306.983   3.2451  300.908   3.3004 6.075317 4.628546 
1 1 1    9   18   -1 o  212.890   1.9200 13209.17  218.279 13407.27  263.721 12778.25  388.958  215.457   2.1193  210.323   3.2021 5.134567 3.839900 
1 1 1    9   19   -1 o  393.508   2.4950 44726.28  567.027 44726.28  567.027   0.0000   0.0000  393.508   2.4950  ?   ?       ?      ? 
1 1 1    9   20   -1 o  133.875   2.0116  5175.41  155.509  5065.42  217.468  5290.50  222.462  132.420   2.8435  135.330   2.8463 -2.909943 4.023286 
1 1 1    9   21   -1 o  290.870   2.0349 24443.85  341.787 24294.53  486.573 24589.29  480.210  289.991   2.9052  291.748   2.8500 -1.756226 4.069705 
1 1 1    9   22   -1 o  171.478   1.7623  8470.72  173.829  8746.11  259.367  8246.15  234.216  173.999   2.5810  168.957   2.4002 5.042007 3.524573 
1 1 1    9   23   -1 o  146.503   1.8599  6199.73  157.259  6230.12  226.972  6171.67  218.089  146.847   2.6762  146.159   2.5836 0.6881409 3.719818 
1 1 1    9   24   -1 o  271.158   2.0007 21239.20  313.329   0.0000   0.0000 21239.20  313.329  ?   ?   271.158   2.0007      ?      ? 
1 1 1    9   25   -1 o  167.175   1.9453  8073.29  187.821  8073.29  187.821   0.0000   0.0000  167.175   1.9453  ?   ?       ?      ? 
1 1 1    9   26   -1 o  161.052   1.6983  7496.18  157.639  7471.22  230.258  7518.20  216.269  160.796   2.4794  161.307   2.3214 -0.5113220 3.396564 
1 1 1    9   27   -1 o  198.017   1.2033 11338.86  135.698 11398.86  177.947 11255.47  209.766  198.650   1.5510  197.385   1.8401 1.265350 2.406565 
1 1 1    9   28   -1 o  105.106   1.6031  3210.09   93.308  3255.79  116.889  3129.82  154.918  106.155   1.9066  104.058   2.5777 2.096268 3.206204 
1 1 1    9   29   -1 o  132.576   2.3314  5064.67  177.720  5285.98  266.301  4886.96  238.638  135.169   3.4112  129.983   3.1788 5.185867 4.662755 
1 1 1    9   30   -1 o  177.806   1.8233  9149.77  186.688  9272.63  255.412  9008.84  273.553  179.097   2.4693  176.514   2.6833 2.583084 3.646583 
1 1 1    9   31   -1 o  140.439   2.4734  5702.10  200.620   0.0000   0.0000  5702.10  200.620  ?   ?   140.439   2.4734      ?      ? 
1 1 1    9   32   -1 o  282.443   2.1570 23057.49  351.857 23057.49  351.857   0.0000   0.0000  282.443   2.1570  ?   ?       ?      ? 
1 1 1    9   33   -1 o  121.808   2.3137  4289.16  162.765   0.0000   0.0000  4289.16  162.765  ?   ?   121.808   2.3137      ?      ? 
1 1 1    9   34   -1 o   48.419   6.8299  683.709  190.991   0.0000   0.0000  683.709  190.991  ?   ?    48.419   6.8299      ?      ? 
1 1 1    9   35   -1 o   81.950   4.3217  1947.72  204.545   0.0000   0.0000  1947.72  204.545  ?   ?    81.950   4.3217      ?      ? 
1 1 1    9   36   -1 o   66.110   4.3320  1246.20  161.023  1394.94  265.219  1159.36  202.647   69.109   6.6448   63.111   5.5597 5.998283 8.663950 
1 1 1    9   37   -1 o  141.550   2.4622  5796.36  201.286   0.0000   0.0000  5796.36  201.286  ?   ?   141.550   2.4622      ?      ? 
1 1 1    9   38   -1 o  127.770   4.3783  4745.47  323.089   0.0000   0.0000  4745.47  323.089  ?   ?   127.770   4.3783      ?      ? 
1 1 1    9   39   -1 o  154.764   3.8110  6958.20  340.636   0.0000   0.0000  6958.20  340.636  ?   ?   154.764   3.8110      ?      ? 
1 1 1    9   40   -1 o  171.401   3.5749  8538.83  353.888   0.0000   0.0000  8538.83  353.888  ?   ?   171.401   3.5749      ?      ? 
1 1 1    9   41   -1 o   79.313   6.3830  1863.67  292.384   0.0000   0.0000  1863.67  292.384  ?   ?    79.313   6.3830      ?      ? 
1 1 1    9   42   -1 o   90.035   3.9218  2369.74  203.930   0.0000   0.0000  2369.74  203.930  ?   ?    90.035   3.9218      ?      ? 
1 1 1    9   43   -1 o   44.277   7.5066  658.817  191.381  780.682  265.897  527.822  275.676   49.010   9.7370   39.544   11.427 9.465675 15.01313 
1 1 1    9   44   -1 o   67.284   4.9849  1349.55  193.712   0.0000   0.0000  1349.55  193.712  ?   ?    67.284   4.9849      ?      ? 
1 1 1    9   45   -1 o   89.932   3.5880  2436.89  183.235  2463.63  239.386  2399.07  284.742   90.870   4.5613   88.995   5.5399 1.875023 7.176091 
1 1 1    9   46   -1 o   82.029   4.3099  2072.65  203.377  1837.45  281.067  2331.14  294.649   76.951   6.3242   87.106   5.8569 -10.15459 8.619734 
1 1 1    9   47   -1 o   39.388   7.5288  572.630  190.611  306.156  266.026  853.769  273.247   29.739   11.269   49.037   9.9875 -19.29803 15.05766 
1 1 1    9   48   -1 o   56.346   5.9653  1128.11  162.999  922.265  297.434  1216.46  194.867   49.849   10.654   62.844   5.3690 -12.99460 11.93056 
1 1 1    9   49   -1 o   38.281   7.4071  587.848  193.040  884.150  265.378  254.886  281.317   49.154   9.6926   27.408   11.203 21.74585 14.81413 
1 1 1    9   50   -1 o   51.738   6.6238  994.796  190.553  783.665  267.786  1211.36  271.211   44.283   10.610   59.194   7.9331 -14.91121 13.24763 
1 1 1    9    0   -2 o   7.0341   3.6819 -435.2387  101.713 -472.8436  131.679 -379.6117  160.154   6.1033   4.5216   7.9650   5.8120 -0.000000 0.000000 
1 1 1    9    1   -2 o  299.754   1.3017 25970.68  220.626 26058.87  284.641 25837.97  349.182  300.394   1.6407  299.114   2.0213 1.279327 2.603350 
1 1 1    9    2   -2 o  189.663   1.1047 10400.73  118.589 10324.35  187.007 10452.11  153.372  189.079   1.7125  190.247   1.3959 -1.167786 2.209313 
1 1 1    9    3   -2 o  413.719   1.6403 49329.70  383.988 49935.20  609.053 48930.25  494.693  415.818   2.5361  411.620   2.0809 4.198547 3.280552 
1 1 1    9    4   -2 o  185.075   1.3148  9806.05  120.868  9725.04  138.812 10060.02  245.783  183.511   1.3097  186.640   2.2801 -3.128601 2.629531 
1 1 1    9    5   -2 o  291.185   1.6498 24659.80  239.965 24834.09  277.402 24141.64  478.308  293.250   1.6379  289.120   2.8645 4.129852 3.299687 
1 1 1    9    6   -2 o  420.249   1.5094 51003.90  366.352 50801.27  518.337 51206.17  517.862  419.415   2.1398  421.083   2.1294 -1.668274 3.018835 
1 1 1    9    7   -2 o  325.096   1.5864 30523.08  297.847 30719.86  420.404 30324.76  422.038  326.148   2.2319  324.044   2.2551 2.104401 3.172792 
1 1 1    9    8   -2 o  128.195   1.2520  4734.48   91.037  4806.04  143.444  4686.23  117.802  129.004   1.9253  127.387   1.6012 1.617065 2.504094 
1 1 1    9    9   -2 o  432.098   1.5355 53920.61  383.186 53997.44  541.630 53843.63  542.186  432.407   2.1688  431.790   2.1742 0.6163635 3.070952 
1 1 1    9   10   -2 o  159.514   1.2112  7350.91  107.441  7358.66  134.874  7337.44  177.735  159.630   1.4629  159.397   1.9307 0.2324677 2.422327 
1 1 1    9   11   -2 o  556.593   1.6849 89471.02  541.604 90714.89  766.742 88232.34  765.149  560.454   2.3688  552.732   2.3969 7.722717 3.369887 
1 1 1    9   12   -2 o  322.005   1.4632 29984.25  266.715 30147.55  345.051 29741.86  420.392  323.098   1.8491  320.912   2.2682 2.186493 2.926435 
1 1 1    9   13   -2 f  288.672   1.9024 24023.73  298.845 24196.91  519.169 23937.91  365.463  289.441   3.1057  287.902   2.1979 1.539368 3.804791 
1 1 1    9   14   -2 o  558.909   3.1068 89983.30  947.245 91037.83  1639.23 89454.65  1160.65  561.323   5.0564  556.496   3.6112 4.826599 6.213533 
1 1 1    9   15   -2 o  166.144   1.3368  7973.56  128.120  7936.41  185.613  8007.38  177.066  165.773   1.9387  166.514   1.8412 -0.7402496 2.673668 
1 1 1    9   16   -2 o  304.792   2.1878 26829.73  385.125   0.0000   0.0000 26829.73  385.125  ?   ?   304.792   2.1878      ?      ? 
1 1 1    9   17   -2 o  390.658   2.3684 44088.52  534.311 43801.86  759.887 44368.85  751.443  389.400   3.3788  391.915   3.3199 -2.514435 4.736873 
1 1 1    9   18   -2 o  197.181   2.0315 11267.04  230.600 12000.68  321.141 10486.09  331.333  203.832   2.7280  190.530   3.0110 13.30141 4.063016 
1 1 1    9   19   -2 o  316.595   2.3378 28950.36  427.459   0.0000   0.0000 28950.36  427.459  ?   ?   316.595   2.3378      ?      ? 
1 1 1    9   20   -2 o  290.878   1.3880 24476.44  229.167 24652.99  298.296 24222.14  357.994  292.165   1.7678  289.591   2.1405 2.573486 2.776090 
1 1 1    9   21   -2 o  128.478   2.1233  4758.07  156.748  4667.11  210.346  4871.67  235.057  127.103   2.8654  129.853   3.1343 -2.750237 4.246684 
1 1 1    9   22   -2 o  249.221   1.9025 17942.72  273.814 18006.00  390.205 17881.32  384.326  249.653   2.7063  248.789   2.6748 0.8646088 3.805018 
1 1 1    9   23   -2 o  323.928   1.8794 30471.32  332.537 30802.35  409.730 29832.46  569.205  326.546   2.1725  321.312   3.0673 5.233978 3.758766 
1 1 1    9   24   -2 o  226.542   1.6820 14911.12  207.968 15088.50  256.094 14567.60  356.386  228.549   1.9401  224.536   2.7482 4.013794 3.364048 
1 1 1    9   25   -2 o  177.400   1.3734  9109.07  139.858  9263.81  188.592  8919.98  208.478  179.081   1.8234  175.719   2.0543 3.362122 2.746800 
1 1 1    9   26   -2 o  256.253   1.9816 18965.34  292.717 18770.89  400.905 19187.36  428.389  254.853   2.7237  257.653   2.8788 -2.799545 3.963145 
1 1 1    9   27   -2 o  292.534   2.1628 24742.76  365.255 24679.46  523.892 24802.64  509.505  292.164   3.1048  292.903   3.0119 -0.7386780 4.325630 
1 1 1    9   28   -2 o  105.266   1.9550  3218.09  111.337  3245.95  135.824  3161.04  194.382  105.984   2.2190  104.547   3.2193 1.436348 3.909940 
1 1 1    9   29   -2 o  135.477   1.7006  5332.54  124.732  5384.91  152.310  5225.90  217.347  136.515   1.9318  134.439   2.7992 2.075546 3.401127 
1 1 1    9   30   -2 o   12.567   4.2654 -183.8681   89.533 -191.4901  130.001 -176.9909  123.486   12.682   6.0930   12.452   5.9708 0.2299442 8.530813 
1 1 1    9   31   -2 o  123.439   2.4318  4399.11  170.982  4474.66  265.720  4345.73  223.368  124.319   3.7008  122.559   3.1557 1.760765 4.863585 
1 1 1    9   32   -2 o   83.185   2.9205  1878.80  118.063  2242.50  256.387  1780.93  133.004   87.903   5.0502   78.466   2.9349 9.437889 5.841054 
1 1 1    9   33   -2 o  148.446   2.3222  6364.12  198.304  6520.10  295.360  6236.10  267.582  150.086   3.4074  146.806   3.1559 3.280792 4.644392 
1 1 1    9   34   -2 o   64.518   7.0128  1214.69  261.313   0.0000   0.0000  1214.69  261.313  ?   ?    64.518   7.0128      ?      ? 
1 1 1    9   35   -2 o   63.565   3.8339  1170.80  140.748   0.0000   0.0000  1170.80  140.748  ?   ?    63.565   3.8339      ?      ? 
1 1 1    9   36   -2 o  250.207   2.2315 18112.24  321.401 17969.16  436.365 18281.89  475.168  249.153   3.0325  251.262   3.2744 -2.108841 4.462942 
1 1 1    9   37   -2 o  107.146   2.9216  3323.62  180.794   0.0000   0.0000  3323.62  180.794  ?   ?   107.146   2.9216      ?      ? 
1 1 1    9   38   -2 f  144.065   2.4352  6005.79  202.615   0.0000   0.0000  6005.79  202.615  ?   ?   144.065   2.4352      ?      ? 
1 1 1    9   39   -2 o  149.779   2.3814  6493.67  205.997   0.0000   0.0000  6493.67  205.997  ?   ?   149.779   2.3814      ?      ? 
1 1 1    9   40   -2 o   87.092   6.0023  2231.13  301.913   0.0000   0.0000  2231.13  301.913  ?   ?    87.092   6.0023      ?      ? 
1 1 1    9   41   -2 o   56.929   6.3168  960.002  207.689   0.0000   0.0000  960.002  207.689  ?   ?    56.929   6.3168      ?      ? 
1 1 1    9   42   -2 o  136.117   2.8764  5386.31  226.126   0.0000   0.0000  5386.31  226.126  ?   ?   136.117   2.8764      ?      ? 
1 1 1    9   43   -2 o   69.090   4.7181  1410.21  188.267   0.0000   0.0000  1410.21  188.267  ?   ?    69.090   4.7181      ?      ? 
1 1 1    9   44   -2 o   55.148   5.8166  917.365  185.260   0.0000   0.0000  917.365  185.260  ?   ?    55.148   5.8166      ?      ? 
1 1 1    9   45   -2 o   36.922   8.0272  494.505  190.655  568.477  259.228  407.346  281.387   39.923   10.925   33.921   11.764 6.001949 16.05435 
1 1 1    9   46   -2 o   69.747   5.1187  1529.45  203.916  1250.98  276.492  1861.56  301.948   62.466   7.6640   77.029   6.7872 -14.56363 10.23735 
1 1 1    9   47   -2 o   34.580   9.5108  425.080  195.877   0.0000   0.0000  425.080  195.877  ?   ?    34.580   9.5108      ?      ? 
1 1 1    9   48   -2 o   50.462   5.7071  808.778  158.751  1073.89  263.736  658.148  198.799   56.862   8.0309   44.061   8.1110 12.80050 11.41420 
1 1 1    9   49   -2 o   59.600   6.1074  1270.36  191.672  1642.91  264.590  858.970  278.039   71.606   6.3979   47.594   10.405 24.01182 12.21475 
1 1 1    9   50   -2 o   29.305   7.6886  316.360  191.078   81.259  264.436  573.235  276.411   22.525   10.039   36.086   11.648 -13.56075 15.37714 
1 1 1    9    0   -3 o  152.407   1.5541  6704.98  129.237  6733.47  222.893  6690.55  158.622  152.634   2.5300  152.179   1.8053 -0.000000 0.000000 
1 1 1    9    1   -3 o  645.323   2.4502 120434.00  894.588 119506.20  1412.40 121055.60  1156.04  643.232   3.8019  647.413   3.0918 -4.181702 4.900371 
1 1 1    9    2   -3 o  317.945   2.0559 29195.57  377.522 29218.67  534.893 29172.64  532.906  318.070   2.9118  317.820   2.9032 0.2504883 4.111849 
1 1 1    9    3   -3 o  377.726   1.3891 41204.92  303.026 41379.99  427.191 41027.61  429.908  378.534   1.9540  376.918   1.9749 1.615417 2.778210 
1 1 1    9    4   -3 o  280.538   1.2640 22758.17  199.488 22862.43  255.066 22593.92  320.128  281.368   1.5696  279.708   1.9817 1.660400 2.527993 
1 1 1    9    5   -3 o  602.564   2.3563 105197.30  802.393 103238.10  1267.43 106507.80  1036.58  597.856   3.6706  607.272   2.9555 -9.416138 4.712602 
1 1 1    9    6   -3 o  501.823   2.1893 72731.27  634.527 72808.98  898.153 72653.84  896.562  502.090   3.0973  501.555   3.0951 0.5351257 4.378695 
1 1 1    9    7   -3 o  696.048   2.5138 140064.00  951.700 139544.59  1650.44 140322.70  1164.87  695.057   4.1114  697.039   2.8936 -1.982422 5.027590 
1 1 1    9    8   -3 o  334.583   1.4520 32312.03  274.722 32245.83  353.994 32412.28  435.615  334.155   1.8343  335.011   2.2514 -0.8567200 2.904046 
1 1 1    9    9   -3 o  379.363   1.2157 41560.24  266.350 41741.70  377.654 41380.64  375.706  380.187   1.7199  378.539   1.7185 1.647827 2.431346 
1 1 1    9   10   -3 o  309.218   1.6620 27612.41  296.808   0.0000   0.0000 27612.41  296.808  ?   ?   309.218   1.6620      ?      ? 
1 1 1    9   11   -3 o  205.633   1.5935 12188.34  178.126 12281.32  310.126 12142.56  217.600  206.214   2.6040  205.052   1.8374 1.161942 3.186959 
1 1 1    9   12   -3 o  332.554   1.4614 31927.10  274.803 31994.70  435.742 31882.46  354.098  332.843   2.2668  332.265   1.8452 0.5788269 2.922859 
1 1 1    9   13   -3 o  169.866   1.5928  8450.59  129.338  8124.53  273.364  8544.64  146.810  167.720   2.8221  172.012   1.4778 -4.291824 3.185594 
1 1 1    9   14   -3 o  198.249   1.8741 11350.44  214.583 11350.44  214.583   0.0000   0.0000  198.249   1.8741  ?   ?       ?      ? 
1 1 1    9   15   -3 o  414.508   2.5421 49629.20  608.538 48971.43  857.597 50296.26  863.640  411.742   3.6064  417.275   3.5836 -5.533112 5.084151 
1 1 1    9   16   -3 o  525.467   3.4025 79759.40  1032.59 79759.40  1032.59   0.0000   0.0000  525.467   3.4025  ?   ?       ?      ? 
1 1 1    9   17   -3 o  248.062   1.7556 17854.18  237.116 18019.72  291.070 17527.58  408.838  249.787   2.0176  246.337   2.8737 3.450058 3.511240 
1 1 1    9   18   -3 o  252.057   1.9715 18349.19  286.750 18403.91  414.544 18299.00  397.070  252.416   2.8436  251.699   2.7315 0.7177734 3.942985 
1 1 1    9   19   -3 o  172.622   2.4178  8606.96  239.330  8625.08  360.828  8592.72  319.802  172.780   3.6159  172.465   3.2107 0.3150787 4.835642 
1 1 1    9   20   -3 o  372.364   2.3517 40059.26  505.712 40090.83  719.586 40028.45  710.862  372.508   3.3447  372.220   3.3067 0.2877808 4.703386 
1 1 1    9   21   -3 o  304.824   2.0729 26847.21  364.848 26674.19  520.372 27014.50  511.684  303.856   2.9652  305.792   2.8973 -1.935364 4.145706 
1 1 1    9   22   -3 o  122.144   2.1031  4309.38  148.363  4309.38  148.363   0.0000   0.0000  122.144   2.1031  ?   ?       ?      ? 
1 1 1    9   23   -3 o  427.165   1.9196 52723.63  473.287 52603.59  680.913 52835.83  658.317  426.690   2.7631  427.639   2.6655 -0.9488831 3.839180 
1 1 1    9   24   -3 o  228.321   1.9618 15064.42  258.362 15083.42  356.567 15043.42  374.879  228.477   2.7022  228.166   2.8448 0.3105774 3.923618 
1 1 1    9   25   -3 o  144.255   1.6682  6072.37  130.024  6186.30  158.848  5841.03  226.346  146.340   1.8795  142.170   2.7566 4.170059 3.336372 
1 1 1    9   26   -3 o  330.423   2.3291 31545.40  443.821 31201.14  609.904 31932.88  647.059  328.517   3.2145  332.328   3.3713 -3.810944 4.658171 
1 1 1    9   27   -3 o  171.128   2.0563  8451.12  202.407  8623.82  301.405  8309.25  273.168  172.710   3.0217  169.546   2.7897 3.164505 4.112533 
1 1 1    9   28   -3 o  118.152   2.4581  4042.10  159.846  4026.21  270.467  4050.63  198.154  117.942   3.9706  118.363   2.8987 -0.4212494 4.916147 
1 1 1    9   29   -3 f   77.926   2.6194  1733.32  113.208  1674.09  140.477  1843.04  191.206   76.076   3.1972   79.776   4.1500 -3.700478 5.238746 
1 1 1    9   30   -3 o   43.919   4.6992  580.537  107.765  600.574  131.785  540.096  187.223   45.501   5.0149   42.338   7.9487 3.163692 9.398443 
1 1 1    9   31   -3 o  146.104   1.6453  6154.04  136.399  6258.68  214.717  6083.25  176.613  147.129   2.5269  145.079   2.1078 2.049835 3.290581 
1 1 1    9   32   -3 o   77.805   2.9064  1753.90  130.601  1750.27  184.566  1757.53  184.828   77.724   4.1116   77.885   4.1089 -0.1612701 5.812796 
1 1 1    9   33   -3 o  129.052   2.3916  4798.69  170.107  4748.29  210.574  4893.36  288.603  128.125   2.8457  129.980   3.8445 -1.854492 4.783102 
1 1 1    9   34   -3 o  145.996   1.9906  6162.52  167.802  6027.22  234.016  6305.71  240.743  144.348   2.8070  147.644   2.8233 -3.295715 3.981252 
1 1 1    9   35   -3 o   91.311   3.4678  2370.34  162.162  2313.19  188.619  2532.27  317.501   89.360   3.6547   93.261   5.8946 -3.901283 6.935701 
1 1 1    9   36   -3 o  163.591   1.9323  7741.73  182.503  7681.28  254.412  7805.82  261.949  162.937   2.7035  164.245   2.7615 -1.308655 3.864554 
1 1 1    9   37   -3 o  204.398   2.3513 12084.70  277.568   0.0000   0.0000 12084.70  277.568  ?   ?   204.398   2.3513      ?      ? 
1 1 1    9   38   -3 o   45.280   4.6144  596.566  120.673   0.0000   0.0000  596.566  120.673  ?   ?    45.280   4.6144      ?      ? 
1 1 1    9   39   -3 o  190.177   2.1311 10464.45  234.068   0.0000   0.0000 10464.45  234.068  ?   ?   190.177   2.1311      ?      ? 
1 1 1    9   40   -3 o   50.235   6.4078  779.103  180.220  884.191  250.803  666.912  259.140   54.426   7.9789   46.044   10.029 8.382202 12.81563 
1 1 1    9   41   -3 o   61.668   5.2239  1117.99  186.054   0.0000   0.0000  1117.99  186.054  ?   ?    61.668   5.2239      ?      ? 
1 1 1    9   42   -3 o  104.876   3.4174  3207.10  206.993   0.0000   0.0000  3207.10  206.993  ?   ?   104.876   3.4174      ?      ? 
1 1 1    9   43   -3 o   48.153   6.9049  703.446  192.029   0.0000   0.0000  703.446  192.029  ?   ?    48.153   6.9049      ?      ? 
1 1 1    9   44   -3 f   77.952   4.3254  1798.89  194.734   0.0000   0.0000  1798.89  194.734  ?   ?    77.952   4.3254      ?      ? 
1 1 1    9   45   -3 o   22.581   9.1772  105.279  187.402   0.0000   0.0000  105.279  187.402  ?   ?    22.581   9.1772      ?      ? 
1 1 1    9   46   -3 o   55.979   6.3491  974.151  205.266   0.0000   0.0000  974.151  205.266  ?   ?    55.979   6.3491      ?      ? 
1 1 1    9   47   -3 o   43.220   7.4691  686.839  185.197  733.847  259.145  637.770  264.761   45.132   10.184   41.308   10.929 3.823463 14.93819 
1 1 1    9   48   -3 o   55.638   6.1679  974.002  198.193   0.0000   0.0000  974.002  198.193  ?   ?    55.638   6.1679      ?      ? 
1 1 1    9   49   -3 o   26.865   7.4009  181.659  187.163 -86.8188  259.110  474.569  270.642   19.893   9.2629   33.838   11.545 -13.94526 14.80176 
1 1 1    9    0   -4 o  104.697   1.6746  3177.80   97.967  3140.33  159.292  3200.60  124.242  104.178   2.6514  105.217   2.0463 -0.000000 0.000000 
1 1 1    9    1   -4 o  309.476   1.3376 27681.42  233.911 27768.85  301.361 27548.93  370.989  310.093   1.6827  308.859   2.0798 1.234039 2.675251 
1 1 1    9    2   -4 o  331.780   1.9489 31769.47  351.978 31856.71  610.398 31726.01  430.817  332.115   3.1823  331.446   2.2506 0.6687317 3.897705 
1 1 1    9    3   -4 o  486.021   1.8859 68156.18  519.139 68546.73  819.816 67894.74  670.759  487.177   2.9137  484.865   2.3953 2.311951 3.771884 
1 1 1    9    4   -4 o  408.344   1.6692 48135.17  385.942 48259.07  609.443 48052.21  498.678  408.779   2.5814  407.909   2.1168 0.8700256 3.338322 
1 1 1    9    5   -4 o  163.904   1.3194  7757.42  124.818  7738.08  173.400  7778.23  179.814  163.692   1.8342  164.116   1.8971 -0.4237976 2.638768 
1 1 1    9    6   -4 o   93.853   2.0165  2589.23   92.361  2459.28  188.990  2630.00  105.865   92.275   3.5463   95.431   1.9208 -3.155807 4.033037 
1 1 1    9    7   -4 f  265.628   1.9194 20376.41  294.457 20376.41  294.457   0.0000   0.0000  265.628   1.9194  ?   ?       ?      ? 
1 1 1    9    8   -4 o  271.295   1.5888 21178.13  216.186 21412.04  431.731 21099.85  249.754  272.285   2.7454  270.304   1.5998 1.981262 3.177515 
1 1 1    9    9   -4 o  289.716   1.6689 24239.40  279.247 24239.40  279.247   0.0000   0.0000  289.716   1.6689  ?   ?       ?      ? 
1 1 1    9   10   -4 o  623.362   2.4949 112230.90  879.203 112212.00  1132.80 112259.50  1394.29  623.310   3.1468  623.414   3.8725 -0.1041870 4.989837 
1 1 1    9   11   -4 f  294.395   1.7928 25018.10  288.491 25068.28  496.063 24992.46  354.629  294.612   2.9154  294.177   2.0873 0.4345703 3.585580 
1 1 1    9   12   -4 o  197.223   1.5660 11308.28  156.620 11076.77  305.124 11391.09  182.495  195.838   2.6977  198.607   1.5910 -2.768494 3.131916 
1 1 1    9   13   -4 o  502.974   2.9483 73082.28  856.423 73187.42  1206.93 72975.66  1215.44  503.339   4.1518  502.609   4.1871 0.7302551 5.896586 
1 1 1    9   14   -4 f  249.474   1.6904 17909.39  232.153 17760.81  287.103 18190.04  394.583  247.990   2.0046  250.958   2.7224 -2.968842 3.380780 
1 1 1    9   15   -4 o  716.870   3.9432 148968.50  1536.05 149859.91  1880.38 147180.41  2663.05  720.200   4.5207  713.540   6.4621 6.659546 7.886445 
1 1 1    9   16   -4 f   18.032   5.7007 -80.4684  122.588 -143.5770  184.310 -30.4026  164.163   17.344   7.9832   18.720   8.1400 -1.375174 11.40137 
1 1 1    9   17   -4 o  236.461   2.0226 16148.38  276.219 16148.38  276.219   0.0000   0.0000  236.461   2.0226  ?   ?       ?      ? 
1 1 1    9   18   -4 o  142.322   1.7872  5759.07  134.133  6074.17  249.681  5631.24  159.029  145.010   2.9813  139.635   1.9720 5.374710 3.574447 
1 1 1    9   19   -4 o  424.495   2.5178 52055.83  617.095 52339.89  884.178 51786.05  861.665  425.622   3.5969  423.369   3.5240 2.253326 5.035505 
1 1 1    9   20   -4 o  356.050   2.6797 36620.53  551.036   0.0000   0.0000 36620.53  551.036  ?   ?   356.050   2.6797      ?      ? 
1 1 1    9   21   -4 f  154.317   1.7662  6907.66  149.998  6784.29  252.963  6974.56  186.280  153.242   2.8582  155.392   2.0756 -2.150330 3.532367 
1 1 1    9   22   -4 o  208.978   1.9206 12615.32  231.782 12505.91  324.849 12728.79  330.811  208.056   2.7034  209.900   2.7289 -1.844925 3.841256 
1 1 1    9   23   -4 o  434.335   2.8200 54538.93  707.358 54615.28  1005.71 54464.18  995.084  434.634   4.0065  434.037   3.9696 0.5969543 5.640022 
1 1 1    9   24   -4 o  273.315   1.7573 21640.62  262.335 21761.58  322.775 21405.23  450.272  274.467   2.0362  272.164   2.8646 2.303650 3.514532 
1 1 1    9   25   -4 f  224.329   1.6668 14581.73  207.815 14385.54  343.209 14695.30  261.126  223.117   2.6634  225.541   2.0047 -2.423843 3.333542 
1 1 1    9   26   -4 o  242.914   1.9149 17052.71  267.737 17039.12  363.893 17068.76  395.331  242.816   2.5948  243.011   2.8168 -0.1943817 3.829796 
1 1 1    9   27   -4 o   29.637   6.7694  246.656  134.691  313.960  186.775  173.731  194.419   32.453   9.4140   26.822   9.7301 5.631475 13.53881 
1 1 1    9   28   -4 o  154.058   1.9807  6882.86  175.652  7217.06  242.736  6515.49  254.499  158.005   2.6600  150.111   2.9355 7.893524 3.961426 
1 1 1    9   29   -4 o  125.696   2.2474  4519.25  151.214  4705.50  273.197  4436.98  181.562  127.503   3.7100  123.888   2.5375 3.615097 4.494745 
1 1 1    9   30   -4 o  264.378   1.5112 20192.37  230.748   0.0000   0.0000 20192.37  230.748  ?   ?   264.378   1.5112      ?      ? 
1 1 1    9   31   -4 o   75.044   2.4412  1624.84  105.616  1503.16  145.098  1761.95  154.028   72.064   3.4862   78.025   3.4181 -5.960846 4.882321 
1 1 1    9   32   -4 o   94.650   3.0649  2593.09  142.402  2589.95  162.967  2603.22  292.844   94.621   2.9821   94.679   5.3555 -0.5794525E-01 6.129776 
1 1 1    9   33   -4 o  102.481   2.1328  3034.91  118.596  3048.89  207.045  3028.08  144.683  102.624   3.4932  102.339   2.4479 0.2858276 4.265553 
1 1 1    9   34   -4 o  201.150   1.8890 11709.80  219.198 11874.42  304.009 11531.55  316.345  202.632   2.5977  199.668   2.7433 2.963821 3.778048 
1 1 1    9   35   -4 o  145.440   2.5338  6084.77  198.734  6010.12  240.501  6245.49  352.877  144.121   2.8894  146.758   4.1633 -2.636856 5.067675 
1 1 1    9   36   -4 o   46.798   4.5741  625.131  122.213  750.099  190.617  537.905  159.251   50.676   6.5128   42.921   6.4244 7.755798 9.148213 
1 1 1    9   37   -4 o   78.430   4.7769  1788.90  216.379   0.0000   0.0000  1788.90  216.379  ?   ?    78.430   4.7769      ?      ? 
1 1 1    9   38   -4 o  107.491   2.0855  3356.04  127.107  3299.55  198.826  3395.09  165.295  106.690   3.2267  108.291   2.6429 -1.601349 4.170949 
1 1 1    9   39   -4 o  124.252   3.1096  4477.23  223.149   0.0000   0.0000  4477.23  223.149  ?   ?   124.252   3.1096      ?      ? 
1 1 1    9   40   -4 f   40.671   6.7317  491.225  151.941  659.426  252.192  395.380  190.372   45.809   9.8268   35.532   9.2032 10.27616 13.46344 
1 1 1    9   41   -4 o  149.259   2.6800  6464.92  231.029   0.0000   0.0000  6464.92  231.029  ?   ?   149.259   2.6800      ?      ? 
1 1 1    9   42   -4 o   50.205   6.3711  753.330  184.734   0.0000   0.0000  753.330  184.734  ?   ?    50.205   6.3711      ?      ? 
1 1 1    9   43   -4 o   80.632   4.6415  1921.82  216.150   0.0000   0.0000  1921.82  216.150  ?   ?    80.632   4.6415      ?      ? 
1 1 1    9   44   -4 o  101.456   3.4810  3022.32  203.970   0.0000   0.0000  3022.32  203.970  ?   ?   101.456   3.4810      ?      ? 
1 1 1    9   45   -4 o   38.361   9.4071  504.013  206.824   0.0000   0.0000  504.013  206.824  ?   ?    38.361   9.4071      ?      ? 
1 1 1    9   46   -4 o   67.816   5.4060  1402.87  211.735   0.0000   0.0000  1402.87  211.735  ?   ?    67.816   5.4060      ?      ? 
1 1 1    9   47   -4 o   55.197   5.8931  944.796  187.866   0.0000   0.0000  944.796  187.866  ?   ?    55.197   5.8931      ?      ? 
1 1 1    9   48   -4 o   55.034   5.4471  936.692  173.132   0.0000   0.0000  936.692  173.132  ?   ?    55.034   5.4471      ?      ? 
1 1 1    9   49   -4 o   51.277   6.5247  848.638  193.228   0.0000   0.0000  848.638  193.228  ?   ?    51.277   6.5247      ?      ? 
1 1 1    9    0   -5 o  156.001   1.6761  7050.02  140.387  7079.97  169.992  6985.77  248.959  156.545   1.8808  155.456   2.7749 -0.000000 0.000000 
1 1 1    9    1   -5 o  271.003   1.6261 21054.12  218.967 21515.58  444.626 20906.36  251.592  272.943   2.8206  269.062   1.6190 3.880676 3.252226 
1 1 1    9    2   -5 o  225.621   1.3262 14700.43  172.811 14674.95  243.236 14726.41  245.563  225.423   1.8683  225.818   1.8829 -0.3948212 2.652484 
1 1 1    9    3   -5 o  157.570   1.6419  7216.86  139.228  7041.38  245.143  7300.41  169.158  156.144   2.7184  158.995   1.8421 -2.851089 3.283753 
1 1 1    9    4   -5 o  358.161   1.6938 37048.31  350.361 37283.60  494.351 36810.85  496.626  359.304   2.3823  357.018   2.4085 2.285583 3.387658 
1 1 1    9    5   -5 o  793.655   2.7247 181934.50  1248.91 181118.50  1762.23 182758.00  1770.25  791.867   3.8532  795.443   3.8534 -3.575928 5.449392 
1 1 1    9    6   -5 o  333.953   1.8507 32206.89  356.940 32206.89  356.940   0.0000   0.0000  333.953   1.8507  ?   ?       ?      ? 
1 1 1    9    7   -5 o  770.860   2.9887 171542.09  1305.13 172177.80  2058.50 171114.70  1687.71  772.032   4.6167  769.688   3.7966 2.343506 5.977314 
1 1 1    9    8   -5 o  400.250   1.6595 46257.09  375.872 46223.48  485.161 46307.53  594.468  400.072   2.0997  400.428   2.5705 -0.3561401 3.319094 
1 1 1    9    9   -5 o  270.817   1.7147 21092.12  252.317 20920.85  307.752 21443.29  440.690  269.152   1.9798  272.482   2.8003 -3.330688 3.429490 
1 1 1    9   10   -5 o  637.661   2.5685 117307.90  926.751 116760.40  1194.88 118134.60  1468.19  635.811   3.2539  639.511   3.9751 -3.700195 5.137076 
1 1 1    9   11   -5 o  399.614   2.1145 46118.39  488.022 46118.39  488.022   0.0000   0.0000  399.614   2.1145  ?   ?       ?      ? 
1 1 1    9   12   -5 o  364.012   1.8495 38269.57  388.822 38359.16  548.385 38179.01  551.382  364.440   2.6054  363.583   2.6258 0.8571777 3.699051 
1 1 1    9   13   -5 o  250.616   1.4915 18137.04  215.869 17936.99  303.271 18342.49  307.339  249.216   2.1070  252.017   2.1116 -2.801224 2.982986 
1 1 1    9   14   -5 o  255.255   2.1725 18819.36  320.272 18833.63  452.127 18805.00  453.742  255.352   3.0657  255.158   3.0790 0.1944427 4.345024 
1 1 1    9   15   -5 o  350.469   2.1727 35330.05  411.497 35061.71  499.418 35897.39  726.181  348.420   2.4818  352.517   3.5668 -4.097076 4.345302 
1 1 1    9   16   -5 o  615.403   3.5258 109457.50  1174.93 109482.60  1431.40 109405.50  2056.99  615.590   4.0261  615.216   5.7892 0.3734131 7.051563 
1 1 1    9   17   -5 o  176.882   2.0030  9026.34  204.490  9433.08  294.958  8649.92  283.753  180.714   2.8261  173.049   2.8391 7.664505 4.005911 
1 1 1    9   18   -5 o  140.742   2.0627  5720.98  167.663   0.0000   0.0000  5720.98  167.663  ?   ?   140.742   2.0627      ?      ? 
1 1 1    9   19   -5 o  201.223   1.9898 11694.54  231.245   0.0000   0.0000 11694.54  231.245  ?   ?   201.223   1.9898      ?      ? 
1 1 1    9   20   -5 o  301.078   2.2519 26189.79  390.839 26191.03  570.505 26188.70  536.519  301.080   3.2809  301.076   3.0855 0.4058838E-02 4.503828 
1 1 1    9   21   -5 o   89.720   1.6555  2320.08   84.395  2353.74  132.199  2296.92  109.646   90.265   2.5358   89.174   2.1290 1.091164 3.311031 
1 1 1    9   22   -5 o  265.429   1.8228 20403.37  257.415 20226.04  464.705 20481.86  309.184  264.572   3.0412  266.286   2.0104 -1.714081 3.645647 
1 1 1    9   23   -5 o  405.213   2.5956 47464.01  607.356 47404.94  851.819 47525.09  866.224  404.959   3.6421  405.466   3.6991 -0.5063171 5.191130 
1 1 1    9   24   -5 o  163.801   1.7542  7618.73  163.211  8468.10  260.232  7068.01  209.546  171.191   2.6321  156.411   2.3197 14.78026 3.508365 
1 1 1    9   25   -5 o  314.009   2.2921 28490.49  415.124 28244.25  571.287 28765.96  604.245  312.580   3.1645  315.438   3.3168 -2.857544 4.584221 
1 1 1    9   26   -5 o  307.135   2.0754 27280.69  367.325 27457.08  503.822 27080.54  536.687  308.206   2.8304  306.063   3.0362 2.142761 4.150845 
1 1 1    9   27   -5 f  120.422   2.1986  4201.63  152.541  4507.11  214.756  3890.57  216.707  124.855   2.9782  115.989   3.2350 8.866302 4.397129 
1 1 1    9   28   -5 o   95.971   2.5319  2669.29  140.052  2482.98  198.623  2853.52  197.509   92.628   3.7128   99.314   3.4434 -6.686203 5.063810 
1 1 1    9   29   -5 o  169.221   1.7192  8253.29  165.255  8410.70  259.354  8145.70  214.417  170.561   2.6329  167.882   2.2114 2.678955 3.438365 
1 1 1    9   30   -5 o  253.938   1.8210 18571.85  258.893 18936.71  423.464 18354.07  327.156  255.885   2.8654  251.991   2.2479 3.893555 3.641949 
1 1 1    9   31   -5 o  126.136   1.8436  4537.54  128.651  4816.63  218.472  4389.38  159.176  129.042   2.9314  123.229   2.2366 5.813354 3.687188 
1 1 1    9   32   -5 o   24.203   7.1690   42.392  156.381   48.661  186.083   27.320  288.533   22.120   9.0848   26.286   11.092 -4.165701 14.33790 
1 1 1    9   33   -5 o  186.403   1.6140 10098.28  161.649  9897.15  285.767 10192.92  196.026  184.993   2.6747  187.812   1.8072 -2.819565 3.227976 
1 1 1    9   34   -5 o  188.864   1.7166 10307.18  187.242   0.0000   0.0000 10307.18  187.242  ?   ?   188.864   1.7166      ?      ? 
1 1 1    9   35   -5 o   97.889   3.1544  2759.11  153.557  2738.49  176.538  2823.22  311.240   97.264   3.1427   98.515   5.4703 -1.251083 6.308760 
1 1 1    9   36   -5 f   76.318   3.6856  1609.92  140.192  1864.83  291.310  1533.08  159.930   79.919   6.3113   72.716   3.8082 7.202782 7.371203 
1 1 1    9   37   -5 o   48.183   7.0758  878.312  173.825  1065.23  201.973  344.389  341.353   60.412   5.7888   35.954   12.913 24.45777 14.15156 
1 1 1    9   38   -5 o   57.636   3.8242  969.352  125.590  973.467  194.270  966.397  164.613   57.690   5.8307   57.583   4.9498 0.1074066 7.648372 
1 1 1    9   39   -5 o   47.546   5.6140  662.242  154.160   0.0000   0.0000  662.242  154.160  ?   ?    47.546   5.6140      ?      ? 
1 1 1    9   40   -5 o  140.132   1.9783  5683.28  160.109   0.0000   0.0000  5683.28  160.109  ?   ?   140.132   1.9783      ?      ? 
1 1 1    9   41   -5 o   40.952   5.5174  518.677  125.534  544.474  184.011  496.220  171.692   41.894   7.8947   40.010   7.7097 1.883945 11.03478 
1 1 1    9   42   -5 o   30.574   10.309  286.918  215.778   0.0000   0.0000  286.918  215.778  ?   ?    30.574   10.309      ?      ? 
1 1 1    9   43   -5 o   80.744   3.8910  1845.36  162.733  1725.08  189.214  2187.10  318.950   76.491   4.2831   84.996   6.4974 -8.505081 7.782096 
1 1 1    9   44   -5 o   81.631   4.3275  1976.00  204.022   0.0000   0.0000  1976.00  204.022  ?   ?    81.631   4.3275      ?      ? 
1 1 1    9   45   -5 f   68.350   4.7518  1401.52  187.577   0.0000   0.0000  1401.52  187.577  ?   ?    68.350   4.7518      ?      ? 
1 1 1    9   46   -5 o   26.200   9.7516  215.656  197.329   0.0000   0.0000  215.656  197.329  ?   ?    26.200   9.7516      ?      ? 
1 1 1    9   47   -5 o   26.220   9.4165  227.708  181.506   0.0000   0.0000  227.708  181.506  ?   ?    26.220   9.4165      ?      ? 
1 1 1    9   48   -5 o   52.563   6.3093  875.424  191.533   0.0000   0.0000  875.424  191.533  ?   ?    52.563   6.3093      ?      ? 
1 1 1    9   49   -5 o   25.496   9.5529  226.689  189.985   0.0000   0.0000  226.689  189.985  ?   ?    25.496   9.5529      ?      ? 
1 1 1    9    0   -6 o   96.288   3.1091  2758.49  165.483  3603.38  234.431  1919.40  233.627  111.522   3.6486   81.054   5.0353 -0.000000 0.000000 
1 1 1    9    1   -6 o  290.898   1.9806 24270.12  315.642 23914.02  387.659 24970.57  543.694  287.760   2.3326  294.036   3.2016 -6.276855 3.961209 
1 1 1    9    2   -6 o  119.025   2.3343  4085.15  159.947  4013.52  216.768  4170.76  236.979  117.883   3.1839  120.168   3.4146 -2.285614 4.668667 
1 1 1    9    3   -6 o   60.192   2.4311  1034.59   79.572  1081.33  139.671  1012.14   96.820   61.185   3.9525   59.199   2.8318 1.986446 4.862276 
1 1 1    9    4   -6 o  236.922   1.5461 16317.89  182.306 15999.04  365.500 16423.48  210.339  235.366   2.6888  238.477   1.5272 -3.110992 3.092231 
1 1 1    9    5   -6 o  210.467   1.2118 12788.57  143.413 12776.27  182.954 12808.18  230.970  210.337   1.5060  210.598   1.8990 -0.2601776 2.423686 
1 1 1    9    6   -6 o  135.051   1.7013  5333.50  121.159  5104.02  220.156  5433.19  145.110  132.938   2.8674  137.163   1.8318 -4.225296 3.402603 
1 1 1    9    7   -6 o  558.269   2.9094 90187.21  812.050 90348.77  937.914 89703.54  1622.86  559.310   2.9035  557.229   5.0427 2.080872 5.818853 
1 1 1    9    8   -6 o  290.200   1.3598 24340.60  223.422 24220.34  352.231 24421.57  289.002  289.598   2.1059  290.802   1.7208 -1.204285 2.719556 
1 1 1    9    9   -6 o  118.909   1.8382  4077.80  125.255  4038.28  166.659  4129.09  189.878  118.249   2.4403  119.569   2.7496 -1.320389 3.676333 
1 1 1    9   10   -6 o  303.390   1.8605 26723.50  306.513 26999.55  375.372 26171.13  530.977  305.761   2.1257  301.020   3.0542 4.741241 3.721090 
1 1 1    9   11   -6 o  154.664   2.0117  6908.15  178.176  6914.46  270.181  6903.28  237.020  154.725   3.0235  154.603   2.6545 0.1218262 4.023404 
1 1 1    9   12   -6 o  213.796   1.6744 13121.40  194.436 12970.07  236.880 13433.90  340.409  211.922   1.9354  215.669   2.7329 -3.747284 3.348821 
1 1 1    9   13   -6 o  176.969   1.6554  9086.84  161.647  8901.68  270.889  9189.24  201.443  175.558   2.6717  178.378   1.9554 -2.820145 3.310781 
1 1 1    9   14   -6 o  273.720   1.8216 21538.11  273.740 21317.64  337.328 21963.28  468.443  271.685   2.1498  275.755   2.9414 -4.069244 3.643255 
1 1 1    9   15   -6 o  280.624   2.3010 22760.36  372.350 22995.36  514.039 22500.93  540.093  282.151   3.1545  279.096   3.3507 3.054840 4.601921 
1 1 1    9   16   -6 o  262.121   2.1523 19843.70  325.829 19843.70  325.829   0.0000   0.0000  262.121   2.1523  ?   ?       ?      ? 
1 1 1    9   17   -6 o  265.637   2.0626 20379.72  316.442 20379.72  316.442   0.0000   0.0000  265.637   2.0626  ?   ?       ?      ? 
1 1 1    9   18   -6 o  357.170   2.4503 36847.67  505.455 36847.67  505.455   0.0000   0.0000  357.170   2.4503  ?   ?       ?      ? 
1 1 1    9   19   -6 o  280.448   1.8211 22705.91  280.473 22676.37  346.504 22762.06  477.637  280.197   2.1412  280.699   2.9463 -0.5024109 3.642152 
1 1 1    9   20   -6 o  178.886   1.8967  9242.57  195.954   0.0000   0.0000  9242.57  195.954  ?   ?   178.886   1.8967      ?      ? 
1 1 1    9   21   -6 o  215.007   1.7275 13342.37  214.406 13894.96  308.232 12824.35  298.437  219.317   2.4334  210.698   2.4525 8.619095 3.454901 
1 1 1    9   22   -6 o  147.814   1.9419  6311.04  165.781   0.0000   0.0000  6311.04  165.781  ?   ?   147.814   1.9419      ?      ? 
1 1 1    9   23   -6 o  153.262   1.9392  6774.52  168.920  6858.06  264.200  6716.77  219.689  154.051   2.9695  152.473   2.4948 1.578964 3.878370 
1 1 1    9   24   -6 o  219.164   1.9612 13889.62  246.585 13959.63  330.618 13801.86  370.172  219.796   2.6045  218.531   2.9329 1.264481 3.922436 
1 1 1    9   25   -6 o  318.659   1.7928 29304.04  292.772 29429.43  564.565 29257.91  342.411  319.073   3.0636  318.245   1.8629 0.8281555 3.585595 
1 1 1    9   26   -6 o  358.945   2.0664 37101.30  412.318 37776.15  686.004 36719.63  515.903  361.440   3.2863  356.451   2.5060 4.988831 4.132771 
1 1 1    9   27   -6 o  178.181   1.9605  9178.47  201.724  8999.05  284.783  9359.14  285.781  176.432   2.7948  179.930   2.7501 -3.498444 3.920952 
1 1 1    9   28   -6 o   90.685   2.8549  2378.05  148.788  2714.88  215.116  2069.12  206.016   96.845   3.8460   84.526   4.2201 12.31932 5.709754 
1 1 1    9   29   -6 o  275.152   2.2943 21882.93  364.593   0.0000   0.0000 21882.93  364.593  ?   ?   275.152   2.2943      ?      ? 
1 1 1    9   30   -6 o  164.753   1.9975  7813.74  172.749  7937.21  321.140  7763.46  204.924  165.613   3.3575  163.892   2.1650 1.720978 3.994971 
1 1 1    9   31   -6 o   86.191   2.4982  2149.65  124.130  2136.96  170.223  2164.06  181.401   85.925   3.4301   86.457   3.6329 -0.5310669 4.996402 
1 1 1    9   32   -6 o  123.501   2.0928  4413.79  144.486  4405.85  236.010  4418.54  182.732  123.384   3.3119  123.617   2.5595 -0.2322311 4.185687 
1 1 1    9   33   -6 o  125.554   2.0721  4556.25  150.253   0.0000   0.0000  4556.25  150.253  ?   ?   125.554   2.0721      ?      ? 
1 1 1    9   34   -6 o  128.072   2.8778  4837.81  201.081  5023.88  249.399  4492.17  339.916  131.738   3.2779  124.406   4.7309 7.331268 5.755548 
1 1 1    9   35   -6 o  208.246   2.0909 12533.97  217.999 12517.10  251.796 12584.45  435.620  208.081   2.0952  208.410   3.6191 -0.3292084 4.181869 
1 1 1    9   36   -6 o   64.617   4.8257  1313.85  150.600  1049.98  296.901  1405.26  174.749   59.665   8.6160   69.570   4.3492 -9.904743 9.651482 
1 1 1    9   37   -6 o   69.883   3.2265  1481.36  119.984  1252.47  206.711  1597.65  147.345   65.532   5.4617   74.235   3.4367 -8.703041 6.452971 
1 1 1    9   38   -6 o   72.231   4.7739  1435.94  185.479  1283.88  220.198  1807.34  344.139   66.245   5.7554   78.218   7.6180 -11.97273 9.547737 
1 1 1    9   39   -6 o   36.867   6.4651  458.416  123.989  286.064  272.528  503.402  139.233   32.318   11.546   41.415   5.8210 -9.096924 12.93010 
1 1 1    9   40   -6 o   35.663   5.8153  415.344  117.469  285.840  196.441  487.430  146.560   30.715   9.8096   40.612   6.2485 -9.896523 11.63065 
1 1 1    9   41   -6 o   84.602   3.1596  2100.36  154.094  2050.63  223.227  2145.63  212.977   83.600   4.6234   85.604   4.3078 -2.003960 6.319222 
1 1 1    9   42   -6 o  114.733   3.3396  3841.54  221.297   0.0000   0.0000  3841.54  221.297  ?   ?   114.733   3.3396      ?      ? 
1 1 1    9   43   -6 o   24.441   7.9658  183.129  129.096   0.0000   0.0000  183.129  129.096  ?   ?    24.441   7.9658      ?      ? 
1 1 1    9   44   -6 f   60.583   4.7557  1106.45  159.425  1045.79  196.866  1222.02  271.740   58.715   5.8055   62.451   7.5341 -3.735950 9.511373 
1 1 1    9   45   -6 o   84.826   4.2119  2143.33  206.342   0.0000   0.0000  2143.33  206.342  ?   ?    84.826   4.2119      ?      ? 
1 1 1    9   46   -6 o   18.161   8.4531 -121.4530  215.447   0.0000   0.0000 -121.4530  215.447  ?   ?    18.161   8.4531      ?      ? 
1 1 1    9   47   -6 o   42.656   8.4484  621.243  200.771   0.0000   0.0000  621.243  200.771  ?   ?    42.656   8.4484      ?      ? 
1 1 1    9   48   -6 o   25.435   8.3270  221.956  141.008   0.0000   0.0000  221.956  141.008  ?   ?    25.435   8.3270      ?      ? 
1 1 1    9   49   -6 o   71.756   4.2009  1563.61  174.096   0.0000   0.0000  1563.61  174.096  ?   ?    71.756   4.2009      ?      ? 
1 1 1    9    0   -7 o   89.869   2.5122  2310.85  118.994  2263.82  141.534  2424.23  219.774   88.407   2.7782   91.331   4.1865 -0.000000 0.000000 
1 1 1    9    1   -7 o   58.845   2.6619  1009.66   84.446  973.507  147.733  1027.20  102.917   58.053   4.4062   59.637   2.9880 -1.584606 5.323840 
1 1 1    9    2   -7 o  169.535   1.5830  8296.80  149.398  8314.81  246.815  8286.38  187.688  169.678   2.5186  169.391   1.9185 0.2867584 3.166065 
1 1 1    9    3   -7 o  343.500   1.5012 34111.05  292.375 34264.09  379.397 33887.25  458.785  344.452   1.9071  342.548   2.3190 1.904297 3.002490 
1 1 1    9    4   -7 o  407.620   2.0723 47984.19  487.851   0.0000   0.0000 47984.19  487.851  ?   ?   407.620   2.0723      ?      ? 
1 1 1    9    5   -7 o  367.420   1.9520 39051.42  358.004 38863.26  717.261 39113.84  413.148  366.818   3.3857  368.022   1.9438 -1.204498 3.903959 
1 1 1    9    6   -7 o  688.446   3.7427 136987.70  1405.85 136762.41  2423.98 137101.91  1725.75  687.965   6.1007  688.928   4.3373 -0.9625854 7.485335 
1 1 1    9    7   -7 o  178.919   1.6825  9164.60  161.212  9033.42  193.795  9459.35  290.489  176.862   1.8972  180.977   2.7792 -4.114960 3.365041 
1 1 1    9    8   -7 o  266.110   2.0901 20450.88  321.225 20450.88  321.225   0.0000   0.0000  266.110   2.0901  ?   ?       ?      ? 
1 1 1    9    9   -7 o  544.264   2.4000 85556.34  754.357 84385.84  1063.23 86742.76  1070.45  540.516   3.4059  548.013   3.3821 -7.497253 4.799904 
1 1 1    9   10   -7 o  262.060   2.2241 19833.56  336.622   0.0000   0.0000 19833.56  336.622  ?   ?   262.060   2.2241      ?      ? 
1 1 1    9   11   -7 o  453.973   2.5691 59401.12  635.724 59921.99  1101.17 59140.74  778.578  455.441   4.1863  452.505   2.9792 2.936066 5.138176 
1 1 1    9   12   -7 o  328.251   2.0422 31166.86  362.904 31253.30  442.295 30988.78  634.842  328.960   2.3280  327.542   3.3559 1.417450 4.084344 
1 1 1    9   13   -7 o  487.363   3.2612 68627.42  917.515 68647.02  1278.40 68606.60  1317.61  487.439   4.5411  487.287   4.6819 0.1515198 6.522367 
1 1 1    9   14   -7 o  273.780   2.2698 21648.21  358.905   0.0000   0.0000 21648.21  358.905  ?   ?   273.780   2.2698      ?      ? 
1 1 1    9   15   -7 o  342.167   2.5772 33827.34  509.229 34299.77  717.878 33348.86  722.461  344.573   3.6073  339.761   3.6818 4.812744 5.154423 
1 1 1    9   16   -7 o  258.118   1.9355 19248.26  268.444 19255.00  324.773 19233.71  476.935  258.202   2.1779  258.035   3.2003 0.1669922 3.871093 
1 1 1    9   17   -7 o  128.125   1.9540  4789.21  125.925  4645.44  247.786  4839.27  146.214  126.806   3.3834  129.444   1.9558 -2.637505 3.908003 
1 1 1    9   18   -7 o   27.193   6.4834  172.581  119.305  103.538  148.660  297.515  199.974   22.333   8.4332   32.052   9.8499 -9.718309 12.96684 
1 1 1    9   19   -7 o  267.114   2.1317 20610.26  328.791 20478.29  459.530 20748.70  470.631  266.239   2.9885  267.989   3.0407 -1.749939 4.263484 
1 1 1    9   20   -7 o  176.769   1.8470  9025.14  188.565   0.0000   0.0000  9025.14  188.565  ?   ?   176.769   1.8470      ?      ? 
1 1 1    9   21   -7 o  470.696   2.8689 64013.79  779.917   0.0000   0.0000 64013.79  779.917  ?   ?   470.696   2.8689      ?      ? 
1 1 1    9   22   -7 o  485.067   2.6091 68067.07  696.031 67846.95  1179.87 68184.55  861.998  484.388   4.2175  485.746   3.0726 -1.358093 5.218099 
1 1 1    9   23   -7 o  324.744   1.9947 30562.39  360.443 30145.89  593.595 30805.66  453.654  322.956   3.1825  326.533   2.4055 -3.577209 3.989311 
1 1 1    9   24   -7 f  190.277   2.0414 10484.64  222.927 10659.23  300.311 10270.36  332.704  192.054   2.7075  188.499   3.0561 3.554977 4.082875 
1 1 1    9   25   -7 o  162.296   1.7336  7635.29  146.322  7557.03  274.529  7666.34  172.934  161.689   2.9398  162.904   1.8381 -1.215179 3.467160 
1 1 1    9   26   -7 o   55.272   3.5229  804.135   84.683  1012.88  215.904  766.183   92.060   59.067   6.3289   51.477   3.0965 7.590122 7.045845 
1 1 1    9   27   -7 o  233.544   2.0857 15791.52  279.630 15963.18  376.488 15580.31  417.613  234.979   2.7742  232.109   3.1153 2.870270 4.171469 
1 1 1    9   28   -7 o  127.380   2.6565  4609.58  193.111  5264.61  302.926  4161.15  250.643  134.851   3.8895  119.909   3.6193 14.94203 5.312956 
1 1 1    9   29   -7 o  185.697   1.9792 10012.51  198.977  9855.24  347.093 10089.50  242.843  184.560   3.2563  186.834   2.2505 -2.274673 3.958316 
1 1 1    9   30   -7 o  191.024   1.9950 10563.90  205.969 10523.72  361.580 10583.19  250.603  190.704   3.2829  191.345   2.2677 -0.6412659 3.989985 
1 1 1    9   31   -7 o  139.980   2.2093  5619.36  153.567  5767.07  312.340  5572.27  176.355  141.115   3.8324  138.846   2.1992 2.269592 4.418564 
1 1 1    9   32   -7 o  137.038   3.0047  5472.75  236.348  5802.75  323.403  5094.46  346.260  141.530   3.9565  132.547   4.5232 8.983185 6.009429 
1 1 1    9   33   -7 o  312.898   2.0686 28392.57  358.604 28082.06  596.903 28567.93  448.582  311.473   3.3182  314.323   2.4710 -2.849213 4.137182 
1 1 1    9   34   -7 o  211.120   2.2100 12889.60  268.950 13073.22  393.932 12729.28  368.087  212.514   3.2096  209.726   3.0389 2.787766 4.419983 
1 1 1    9   35   -7 o  153.272   2.4264  6787.43  200.730  6755.89  243.558  6854.23  354.422  152.802   2.7599  153.742   3.9916 -0.9402618 4.852779 
1 1 1    9   36   -7 o   52.443   7.5198  847.911  219.400  852.479  323.381  844.016  298.650   52.474   11.021   52.412   10.233 0.6232071E-01 15.03952 
1 1 1    9   37   -7 o   16.267   7.7234 -235.6732  196.252   0.0000   0.0000 -235.6732  196.252  ?   ?    16.267   7.7234      ?      ? 
1 1 1    9   38   -7 o  134.230   2.9150  5221.55  225.979   0.0000   0.0000  5221.55  225.979  ?   ?   134.230   2.9150      ?      ? 
1 1 1    9   39   -7 o  171.292   1.6560  8498.00  163.784  8563.93  229.668  8429.77  233.635  171.974   2.3123  170.610   2.3711 1.364365 3.311938 
1 1 1    9   40   -7 o   31.000   8.3427  177.803  215.301  -1.6688  282.835  425.102  332.006   24.734   10.720   37.267   12.786 -12.53286 16.68533 
1 1 1    9   41   -7 o   96.223   3.6548  2731.00  203.059  2742.25  284.339  2719.28  290.083   96.450   5.1044   95.996   5.2322 0.4543991 7.309660 
1 1 1    9   42   -7 o   68.278   3.7072  1364.91  146.189   0.0000   0.0000  1364.91  146.189  ?   ?    68.278   3.7072      ?      ? 
1 1 1    9   43   -7 o   20.627   6.5960 -142.4504  167.438 -284.3867  213.490   84.383  269.889   16.035   7.7301   25.219   10.690 -9.184002 13.19190 
1 1 1    9   44   -7 o   27.220   7.7119  173.517  173.267  124.408  209.315  280.421  308.825   23.951   9.7114   30.488   11.983 -6.537815 15.42384 
1 1 1    9   45   -7 o   73.202   4.6453  1608.77  196.391   0.0000   0.0000  1608.77  196.391  ?   ?    73.202   4.6453      ?      ? 
1 1 1    9   46   -7 o   17.577   6.0097 -252.8275  168.566 -234.6933  201.803 -294.6852  306.597   15.722   7.5631   19.433   9.3416 -3.710647 12.01945 
1 1 1    9   47   -7 o   37.815   8.9408  502.372  192.193   0.0000   0.0000  502.372  192.193  ?   ?    37.815   8.9408      ?      ? 
1 1 1    9   48   -7 o  ?   ?  -693.3891  193.423   0.0000   0.0000 -693.3891  193.423  ?   ?   ?   ?       ?      ? 
1 1 1    9   49   -7 o   51.301   6.2092  848.996  183.971   0.0000   0.0000  848.996  183.971  ?   ?    51.301   6.2092      ?      ? 
1 1 1    9    0   -8 o  728.947   4.0717 153510.00  1713.89 155424.80  2430.49 151616.20  2417.19  733.470   5.7383  724.424   5.7782 -0.000000 0.000000 
1 1 1    9    1   -8 o  191.905   1.5767 10635.24  174.754   0.0000   0.0000 10635.24  174.754  ?   ?   191.905   1.5767      ?      ? 
1 1 1    9    2   -8 o  493.461   3.5143 70346.37  1001.55 70394.61  1419.99 70298.59  1412.85  493.629   4.9808  493.293   4.9591 0.3358459 7.028618 
1 1 1    9    3   -8 o  330.103   1.5974 31470.86  304.511 31374.67  433.239 31564.78  428.095  329.604   2.2759  330.602   2.2421 -0.9975281 3.194767 
1 1 1    9    4   -8 o   20.505   5.5767   68.470  102.073 -416.1355  255.138  160.813  111.374   17.329   8.3776   23.682   7.3630 -6.353086 11.15335 
1 1 1    9    5   -8 o  579.418   2.8818 97232.72  921.285 97850.84  1146.56 96106.50  1547.66  582.049   3.4108  576.786   4.6459 5.262451 5.763518 
1 1 1    9    6   -8 o  479.348   2.0253 66364.30  560.677 67192.59  793.264 65537.45  792.571  482.337   2.8476  476.359   2.8808 5.978577 4.050697 
1 1 1    9    7   -8 o   52.290   4.4781  688.195  112.046  981.362  257.530  619.743  124.441   58.263   7.6533   46.317   4.6520 11.94646 8.956215 
1 1 1    9    8   -8 o  129.753   2.1348  4876.49  158.083  4957.02  209.086  4769.04  241.533  131.008   2.7634  128.497   3.2546 2.511841 4.269509 
1 1 1    9    9   -8 o   99.663   2.3574  2858.76  135.079  2767.99  181.406  2971.72  202.371   97.894   3.2086  101.431   3.4545 -3.537003 4.714734 
1 1 1    9   10   -8 o  429.871   2.6394 53369.05  655.138 53797.70  937.986 52960.75  915.437  431.555   3.7634  428.187   3.7018 3.367920 5.278818 
1 1 1    9   11   -8 o  231.345   2.0901 15462.38  278.625 15399.17  407.581 15517.83  381.756  230.900   3.0564  231.791   2.8517 -0.8911896 4.180140 
1 1 1    9   12   -8 o  381.060   2.0991 41892.20  438.053 42094.79  750.804 41787.65  539.373  381.745   3.4054  380.376   2.4552 1.368469 4.198199 
1 1 1    9   13   -8 o  229.326   2.0960 15175.94  276.557 15029.15  374.332 15352.35  410.369  228.109   2.8414  230.544   3.0820 -2.435181 4.191937 
1 1 1    9   14   -8 o  252.023   1.5444 18344.02  224.779 18638.52  318.606 18052.16  317.171  254.037   2.1716  250.009   2.1966 4.028290 3.088811 
1 1 1    9   15   -8 o  289.708   2.2006 24240.77  368.211 24240.77  368.211   0.0000   0.0000  289.708   2.2006  ?   ?       ?      ? 
1 1 1    9   16   -8 o  326.517   1.9715 30947.70  355.555 30271.76  594.308 31324.50  443.725  323.712   3.1788  329.322   2.3330 -5.609344 3.943051 
1 1 1    9   17   -8 o  298.594   1.5567 25734.97  267.292 25575.59  360.992 25928.41  397.683  297.574   2.1005  299.614   2.2982 -2.040039 3.113482 
1 1 1    9   18   -8 o  156.671   2.0550  7056.37  175.830  7197.21  304.196  6985.70  215.471  157.829   3.3372  155.513   2.3990 2.316238 4.110003 
1 1 1    9   19   -8 o  116.382   3.0854  3892.36  203.694  4035.46  322.322  3797.21  262.830  118.142   4.7239  114.622   3.9703 3.520004 6.170783 
1 1 1    9   20   -8 o  199.835   2.0936 11535.07  241.634   0.0000   0.0000 11535.07  241.634  ?   ?   199.835   2.0936      ?      ? 
1 1 1    9   21   -8 o  278.310   2.1309 22374.60  342.510   0.0000   0.0000 22374.60  342.510  ?   ?   278.310   2.1309      ?      ? 
1 1 1    9   22   -8 o  273.965   1.8887 21622.35  283.515 21891.22  486.302 21483.90  348.953  275.226   3.0594  272.704   2.2156 2.522308 3.777380 
1 1 1    9   23   -8 o   68.397   3.3542  1352.37  132.497   0.0000   0.0000  1352.37  132.497  ?   ?    68.397   3.3542      ?      ? 
1 1 1    9   24   -8 o  157.114   2.4242  7132.83  219.970   0.0000   0.0000  7132.83  219.970  ?   ?   157.114   2.4242      ?      ? 
1 1 1    9   25   -8 o  256.527   1.8727 18953.83  263.002 19225.54  452.081 18814.82  323.352  257.877   3.0354  255.177   2.1941 2.699341 3.745356 
1 1 1    9   26   -8 o  185.929   1.8747  9857.93  170.460 10246.68  355.676  9742.02  194.217  188.228   3.2718  183.630   1.8313 4.598007 3.749432 
1 1 1    9   27   -8 o  108.142   2.2776  3379.91  142.253   0.0000   0.0000  3379.91  142.253  ?   ?   108.142   2.2776      ?      ? 
1 1 1    9   28   -8 o  186.722   2.2984 10089.50  247.324 10042.45  361.428 10130.93  339.169  186.300   3.3591  187.143   3.1380 -0.8423309 4.596828 
1 1 1    9   29   -8 o  183.103   1.9493  9685.60  197.232  9661.88  245.381  9728.88  331.522  182.824   2.3239  183.382   3.1302 -0.5575714 3.898551 
1 1 1    9   30   -8 o   70.767   4.2752  1610.01  136.426  1211.39  290.641  1722.65  154.505   64.388   7.8157   77.146   3.4677 -12.75836 8.550439 
1 1 1    9   31   -8 o  109.034   2.9158  3415.75  173.016  3359.77  210.980  3530.71  302.330  107.741   3.3906  110.328   4.7447 -2.586411 5.831679 
1 1 1    9   32   -8 o   20.810   6.8180 -318.9758  204.998 -586.8380  292.860 -61.6391  287.049   17.315   8.5016   24.304   10.661 -6.989124 13.63597 
1 1 1    9   33   -8 o  290.247   2.3818 24357.94  399.256   0.0000   0.0000 24357.94  399.256  ?   ?   290.247   2.3818      ?      ? 
1 1 1    9   34   -8 o  149.094   2.1952  6453.67  165.069  6394.24  325.096  6474.32  191.606  148.544   3.7894  149.643   2.2170 -1.099869 4.390306 
1 1 1    9   35   -8 o  183.105   1.9985  9692.45  211.344   0.0000   0.0000  9692.45  211.344  ?   ?   183.105   1.9985      ?      ? 
1 1 1    9   36   -8 o   73.276   5.2246  1563.92  221.108   0.0000   0.0000  1563.92  221.108  ?   ?    73.276   5.2246      ?      ? 
1 1 1    9   37   -8 o   81.866   4.6774  1951.08  221.151   0.0000   0.0000  1951.08  221.151  ?   ?    81.866   4.6774      ?      ? 
1 1 1    9   38   -8 f  164.721   2.8152  7863.02  267.819   0.0000   0.0000  7863.02  267.819  ?   ?   164.721   2.8152      ?      ? 
1 1 1    9   39   -8 o  116.195   3.0939  3896.23  205.970  3614.40  271.309  4279.63  316.442  111.333   4.2194  121.058   4.5260 -9.724533 6.187771 
1 1 1    9   40   -8 o  139.723   2.8894  5669.75  233.161   0.0000   0.0000  5669.75  233.161  ?   ?   139.723   2.8894      ?      ? 
1 1 1    9   41   -8 o   66.699   5.6888  1320.34  219.141   0.0000   0.0000  1320.34  219.141  ?   ?    66.699   5.6888      ?      ? 
1 1 1    9   42   -8 o   96.356   3.7729  2722.53  209.964   0.0000   0.0000  2722.53  209.964  ?   ?    96.356   3.7729      ?      ? 
1 1 1    9   43   -8 o   48.485   7.0507  724.964  197.438   0.0000   0.0000  724.964  197.438  ?   ?    48.485   7.0507      ?      ? 
1 1 1    9   44   -8 o   36.357   9.7477  457.161  208.871   0.0000   0.0000  457.161  208.871  ?   ?    36.357   9.7477      ?      ? 
1 1 1    9   45   -8 f   66.626   5.4905  1355.46  211.270   0.0000   0.0000  1355.46  211.270  ?   ?    66.626   5.4905      ?      ? 
1 1 1    9   46   -8 o   47.107   8.6628  754.927  227.000   0.0000   0.0000  754.927  227.000  ?   ?    47.107   8.6628      ?      ? 
1 1 1    9   47   -8 o   57.153   6.0594  1024.67  200.013   0.0000   0.0000  1024.67  200.013  ?   ?    57.153   6.0594      ?      ? 
1 1 1    9   48   -8 o   36.273   8.9167  475.475  185.482   0.0000   0.0000  475.475  185.482  ?   ?    36.273   8.9167      ?      ? 
1 1 1    9   49   -8 o   19.567   8.4090   64.805  171.145   0.0000   0.0000   64.805  171.145  ?   ?    19.567   8.4090      ?      ? 
1 1 1    9    0   -9 o  125.584   2.7636  4539.87  198.749  4332.25  264.238  4810.36  301.598  122.304   3.7488  128.865   4.0615 -0.000000 0.000000 
1 1 1    9    1   -9 o  210.965   1.9136 12904.33  209.831 12737.96  393.826 12970.28  247.957  210.006   3.2470  211.924   2.0259 -1.918732 3.827192 
1 1 1    9    2   -9 o  528.069   2.0484 80755.05  612.664 79414.43  961.854 81670.30  794.742  524.363   3.1761  531.775   2.5877 -7.411926 4.096786 
1 1 1    9    3   -9 o   51.658   3.0117  772.221   89.692  810.620  125.462  732.083  128.272   52.974   4.1008   50.341   4.4119 2.632797 6.023343 
1 1 1    9    4   -9 o  442.529   1.9142 56560.54  489.196 57362.30  692.265 55760.79  691.392  445.663   2.6896  439.396   2.7245 6.266113 3.828378 
1 1 1    9    5   -9 o  369.461   1.6826 39419.57  359.001 39614.91  511.460 39229.88  504.031  370.363   2.3911  368.559   2.3679 1.803864 3.365169 
1 1 1    9    6   -9 o  421.842   2.5091 51404.79  611.245 51878.54  861.246 50923.96  867.652  423.802   3.5187  419.883   3.5779 3.918915 5.018235 
1 1 1    9    7   -9 o   75.337   2.1784  1651.54   92.231  1584.58  147.060  1694.96  118.415   74.067   3.4378   76.607   2.6764 -2.539925 4.356798 
1 1 1    9    8   -9 o   68.734   3.3892  1364.58  134.539  1364.58  134.539   0.0000   0.0000   68.734   3.3892  ?   ?       ?      ? 
1 1 1    9    9   -9 o  413.924   2.2351 49415.98  509.743 49250.16  631.773 49725.29  862.854  412.944   2.6490  414.903   3.6009 -1.959015 4.470279 
1 1 1    9   10   -9 o  223.103   1.8938 14389.21  227.330 14412.25  275.442 14339.99  402.603  223.390   2.1349  222.816   3.1286 0.5747833 3.787589 
1 1 1    9   11   -9 o  181.639   2.3876  9528.81  250.467   0.0000   0.0000  9528.81  250.467  ?   ?   181.639   2.3876      ?      ? 
1 1 1    9   12   -9 o  395.406   2.5488 45176.98  581.875 45787.14  816.248 44546.55  829.706  398.124   3.5499  392.689   3.6584 5.434845 5.097628 
1 1 1    9   13   -9 o  241.671   2.0931 16867.23  291.342 16830.10  397.295 16910.42  428.514  241.386   2.8498  241.957   3.0665 -0.5705719 4.186262 
1 1 1    9   14   -9 o  338.672   2.3846 33109.04  466.057 32536.24  644.272 33737.79  675.011  335.603   3.3240  341.740   3.4200 -6.136993 4.769215 
1 1 1    9   15   -9 o  606.878   3.6841 106431.50  1290.39 105681.20  1788.99 107245.30  1863.04  604.659   5.1229  609.097   5.2960 -4.437866 7.368281 
1 1 1    9   16   -9 o  343.604   2.1051 34270.10  382.672 34518.53  458.056 33696.09  696.269  345.701   2.2942  341.507   3.5301 4.194397 4.210145 
1 1 1    9   17   -9 o  325.363   2.3580 30589.46  443.010 30808.99  621.733 30363.04  631.400  326.551   3.2966  324.175   3.3724 2.375793 4.716012 
1 1 1    9   18   -9 o  368.733   2.2155 39200.85  447.324 39541.05  767.632 39025.92  550.442  369.911   3.5931  367.554   2.5930 2.356995 4.431044 
1 1 1    9   19   -9 o  279.135   1.9793 22466.41  299.975 22640.49  523.509 22381.31  366.025  279.916   3.2383  278.354   2.2768 1.562134 3.958562 
1 1 1    9   20   -9 f  178.955   1.7236  9202.71  167.024  9112.44  202.979  9392.00  293.934  177.615   1.9787  180.294   2.8228 -2.678726 3.447264 
1 1 1    9   21   -9 o  149.613   1.7861  6464.38  154.296  6348.32  215.206  6587.15  221.336  148.232   2.5138  150.994   2.5381 -2.761826 3.572250 
1 1 1    9   22   -9 o  337.734   1.9541 32949.91  381.155   0.0000   0.0000 32949.91  381.155  ?   ?   337.734   1.9541      ?      ? 
1 1 1    9   23   -9 f  137.837   1.7429  5489.14  138.559  5503.85  201.398  5475.92  190.924  138.010   2.5267  137.664   2.4013 0.3462372 3.485797 
1 1 1    9   24   -9 o  148.565   2.3056  6377.65  197.827   0.0000   0.0000  6377.65  197.827  ?   ?   148.565   2.3056      ?      ? 
1 1 1    9   25   -9 o  206.233   1.8923 12334.67  211.935 12173.67  367.749 12414.74  259.331  205.188   3.1032  207.278   2.1663 -2.090439 3.784550 
1 1 1    9   26   -9 o   19.197   6.2959 -195.4743  164.820 -164.8761  215.289 -238.8038  256.192   18.703   8.6156   19.691   9.1829 -0.9886055 12.59188 
1 1 1    9   27   -9 o   91.459   3.1570  2509.83  148.979  2227.95  274.812  2627.15  177.292   87.619   5.4306   95.299   3.2212 -7.679153 6.314098 
1 1 1    9   28   -9 o  193.524   3.1433 10834.32  351.317 10834.32  351.317   0.0000   0.0000  193.524   3.1433  ?   ?       ?      ? 
1 1 1    9   29   -9 o   72.711   6.5182  1539.10  273.722  1539.10  273.722   0.0000   0.0000   72.711   6.5182  ?   ?       ?      ? 
1 1 1    9   30   -9 o  109.250   3.3141  3485.28  207.238  3988.16  291.573  2971.88  294.609  117.306   4.3037  101.194   5.0409 16.11150 6.628122 
1 1 1    9   31   -9 o  215.956   2.2572 13462.12  280.790 13067.16  381.279 13930.16  415.064  212.515   3.1065  219.397   3.2757 -6.881561 4.514440 
1 1 1    9   32   -9 o   80.699   4.3141  1898.65  200.709  2005.50  281.774  1788.58  285.964   83.031   5.8759   78.367   6.3182 4.663589 8.628217 
1 1 1    9   33   -9 o   27.964   10.119  194.224  210.057   0.0000   0.0000  194.224  210.057  ?   ?    27.964   10.119      ?      ? 
1 1 1    9   34   -9 o  138.126   2.9883  5522.08  238.386   0.0000   0.0000  5522.08  238.386  ?   ?   138.126   2.9883      ?      ? 
1 1 1    9   35   -9 o  200.936   2.4577 11679.77  285.211   0.0000   0.0000 11679.77  285.211  ?   ?   200.936   2.4577      ?      ? 
1 1 1    9   36   -9 o  193.756   2.4991 10863.70  279.656   0.0000   0.0000 10863.70  279.656  ?   ?   193.756   2.4991      ?      ? 
1 1 1    9   37   -9 o   68.698   5.4877  1379.18  217.731   0.0000   0.0000  1379.18  217.731  ?   ?    68.698   5.4877      ?      ? 
1 1 1    9   38   -9 o  111.957   3.5209  3641.19  227.664   0.0000   0.0000  3641.19  227.664  ?   ?   111.957   3.5209      ?      ? 
1 1 1    9   39   -9 o   90.546   4.2513  2393.00  222.319   0.0000   0.0000  2393.00  222.319  ?   ?    90.546   4.2513      ?      ? 
1 1 1    9   40   -9 o  150.275   2.9731  6563.99  258.036   0.0000   0.0000  6563.99  258.036  ?   ?   150.275   2.9731      ?      ? 
1 1 1    9   41   -9 o  165.453   2.5153  8024.98  237.888  8199.30  316.680  7799.22  360.392  167.671   3.2702  163.234   3.8228 4.436539 5.030696 
1 1 1    9   42   -9 o   59.317   5.5829  1100.55  187.224  1149.91  245.338  1031.71  289.708   61.396   6.9190   57.238   8.7637 4.157108 11.16579 
1 1 1    9   43   -9 o   62.922   5.9723  1202.99  217.037   0.0000   0.0000  1202.99  217.037  ?   ?    62.922   5.9723      ?      ? 
1 1 1    9   44   -9 o   24.291   9.8298  137.732  213.987   0.0000   0.0000  137.732  213.987  ?   ?    24.291   9.8298      ?      ? 
1 1 1    9   45   -9 o   15.217   5.2259 -282.9027  144.009 -401.0407  230.485 -207.2500  184.442   15.177   7.4698   15.256   7.3105 -0.7893848E-01 10.45188 
1 1 1    9   46   -9 o  102.599   2.8975  3095.17  171.693   0.0000   0.0000  3095.17  171.693  ?   ?   102.599   2.8975      ?      ? 
1 1 1    9   47   -9 o   11.780   5.9260 -494.1024  181.859   0.0000   0.0000 -494.1024  181.859  ?   ?    11.780   5.9260      ?      ? 
1 1 1    9   48   -9 o   41.948   5.9945  559.719  145.227   0.0000   0.0000  559.719  145.227  ?   ?    41.948   5.9945      ?      ? 
1 1 1    9    0  -10 o  148.618   2.3125  6383.17  198.384  6383.17  198.384   0.0000   0.0000  148.618   2.3125  148.618   2.3125 -0.000000 0.000000 
1 1 1    9    1  -10 o  156.613   1.6460  7073.63  146.169  7031.29  189.219  7136.28  230.177  156.035   2.0997  157.192   2.5354 -1.157440 3.291962 
1 1 1    9    2  -10 f  374.245   2.4573 40457.22  531.092 40899.91  750.206 40012.48  751.952  376.298   3.4519  372.192   3.4981 4.105927 4.914561 
1 1 1    9    3  -10 o  311.932   2.1604 28091.33  388.723 28333.73  565.206 27873.76  535.472  313.207   3.1246  310.657   2.9845 2.550049 4.320897 
1 1 1    9    4  -10 o  487.495   2.8613 68542.34  804.910 65978.15  1110.95 71375.74  1167.81  477.914   4.0249  497.077   4.0678 -19.16275 5.722528 
1 1 1    9    5  -10 o  469.193   3.2324 63584.99  875.902 63584.99  875.902   0.0000   0.0000  469.193   3.2324  ?   ?       ?      ? 
1 1 1    9    6  -10 o  370.925   2.6260 39736.75  562.546 39736.75  562.546   0.0000   0.0000  370.925   2.6260  ?   ?       ?      ? 
1 1 1    9    7  -10 o  142.179   1.9039  5837.95  156.334  5837.95  156.334   0.0000   0.0000  142.179   1.9039  ?   ?       ?      ? 
1 1 1    9    8  -10 o  514.503   3.1846 76460.29  946.310 76460.29  946.310   0.0000   0.0000  514.503   3.1846  ?   ?       ?      ? 
1 1 1    9    9  -10 o  290.317   2.0638 24341.40  346.038 24341.40  346.038   0.0000   0.0000  290.317   2.0638  ?   ?       ?      ? 
1 1 1    9   10  -10 o  320.764   2.2644 29715.75  419.499   0.0000   0.0000 29715.75  419.499  ?   ?   320.764   2.2644      ?      ? 
1 1 1    9   11  -10 o  487.383   3.1200 68590.05  876.713 67916.52  1202.18 69355.20  1281.32  484.836   4.2933  489.930   4.5283 -5.093689 6.240029 
1 1 1    9   12  -10 o  451.839   2.7274 58968.76  711.744   0.0000   0.0000 58968.76  711.744  ?   ?   451.839   2.7274      ?      ? 
1 1 1    9   13  -10 o   95.353   2.4592  2622.49  134.483  2592.20  179.388  2661.36  203.207   94.728   3.2789   95.979   3.6659 -1.251083 4.918331 
1 1 1    9   14  -10 o  234.781   2.1984 15920.62  298.097   0.0000   0.0000 15920.62  298.097  ?   ?   234.781   2.1984      ?      ? 
1 1 1    9   15  -10 o   82.282   4.6269  1956.86  219.878   0.0000   0.0000  1956.86  219.878  ?   ?    82.282   4.6269      ?      ? 
1 1 1    9   16  -10 o  399.755   2.2269 46316.53  491.717 45657.99  823.422 46681.52  613.022  397.512   3.5866  401.998   2.6404 -4.486206 4.453712 
1 1 1    9   17  -10 o  104.842   2.0805  3175.99  120.763  3176.94  150.693  3174.27  201.894  104.871   2.4880  104.813   3.3352 0.5772400E-01 4.160974 
1 1 1    9   18  -10 o  454.659   2.9469 59724.35  773.814   0.0000   0.0000 59724.35  773.814  ?   ?   454.659   2.9469      ?      ? 
1 1 1    9   19  -10 o  436.037   2.7867 54975.22  701.320 55373.10  976.558 54551.47  1007.81  437.676   3.8633  434.399   4.0170 3.277069 5.573309 
1 1 1    9   20  -10 o  252.824   2.3265 18452.93  336.387 18326.67  444.929 18621.40  513.947  251.830   3.0591  253.818   3.5060 -1.988312 4.652976 
1 1 1    9   21  -10 f  363.043   2.5026 38120.09  520.328 38243.98  693.021 37960.03  787.758  363.745   3.2989  362.340   3.7644 1.404938 5.005285 
1 1 1    9   22  -10 o  ?   ?  -793.9279  132.349 -618.2732  153.913 -1292.3409  259.263  ?   ?   ?   ?       ?      ? 
1 1 1    9   23  -10 o  281.881   2.1002 22956.45  341.908   0.0000   0.0000 22956.45  341.908  ?   ?   281.881   2.1002      ?      ? 
1 1 1    9   24  -10 o  226.860   1.6294 14895.47  209.455 14749.12  328.953 14995.26  271.638  225.906   2.5213  227.814   2.0645 -1.907959 3.258712 
1 1 1    9   25  -10 o   43.862   5.6582  593.816  104.237  605.343  114.436  537.658  252.583   45.723   4.3336   42.002   10.454 3.720268 11.31640 
1 1 1    9   26  -10 o  282.915   2.1446 23156.67  350.039 23345.14  484.968 22951.70  505.744  284.128   2.9554  281.702   3.1085 2.425537 4.289210 
1 1 1    9   27  -10 o   93.240   3.0639  2518.01  164.966  2465.53  231.006  2572.62  235.659   92.248   4.3359   94.231   4.3302 -1.982567 6.127851 
1 1 1    9   28  -10 o  238.101   1.9167 16270.03  251.855 16809.41  427.431 15983.17  311.714  241.055   3.0702  235.147   2.2953 5.907501 3.833316 
1 1 1    9   29  -10 o  242.886   2.2167 17071.42  310.304 17118.06  425.574 17018.48  453.420  243.256   3.0292  242.516   3.2372 0.7392426 4.433475 
1 1 1    9   30  -10 o  206.602   1.8772 12414.45  212.875 12576.34  263.826 12112.42  360.364  208.590   2.1900  204.615   3.0494 3.974854 3.754334 
1 1 1    9   31  -10 o   12.515   4.4423 -583.7435  140.164 -533.8163  199.801 -632.1223  196.679   13.000   6.4920   12.029   6.0654 0.9710522 8.884527 
1 1 1    9   32  -10 o  268.142   2.0025 20701.43  296.759 21136.67  500.641 20465.66  368.471  270.237   3.2077  266.047   2.3981 4.190430 4.005010 
1 1 1    9   33  -10 o   89.392   4.1448  2331.76  213.512  2468.47  298.884  2189.29  305.115   92.104   5.6187   86.681   6.0947 5.422844 8.289506 
1 1 1    9   34  -10 o   37.737   8.7237  435.981  186.326   0.0000   0.0000  435.981  186.326  ?   ?    37.737   8.7237      ?      ? 
1 1 1    9   35  -10 o  164.972   2.4031  7884.27  228.856  8236.19  326.901  7546.01  320.496  168.589   3.3574  161.356   3.4391 7.232117 4.806233 
1 1 1    9   36  -10 o  117.142   2.5527  3956.63  152.573  4034.15  297.175  3928.89  177.794  117.789   4.3684  116.496   2.6425 1.293541 5.105475 
1 1 1    9   37  -10 o   80.506   3.6418  1853.44  163.120  2038.44  275.208  1753.26  202.530   83.433   5.7113   77.578   4.5203 5.854660 7.283686 
1 1 1    9   38  -10 o  129.494   2.4159  4857.22  180.684   0.0000   0.0000  4857.22  180.684  ?   ?   129.494   2.4159      ?      ? 
1 1 1    9   39  -10 o   40.194   6.3376  521.127  133.702  441.529  252.386  552.180  157.639   37.219   10.986   43.170   6.3226 -5.951180 12.67522 
1 1 1    9   40  -10 o   60.999   4.3475  1076.61  148.200  1229.03  248.729  992.718  184.532   64.076   6.7212   57.922   5.5162 6.153561 8.695034 
1 1 1    9   41  -10 o   97.506   3.5474  2780.76  199.769   0.0000   0.0000  2780.76  199.769  ?   ?    97.506   3.5474      ?      ? 
1 1 1    9   42  -10 o  100.942   3.0457  3003.42  177.251  3172.48  260.161  2856.97  242.150  103.561   4.3497   98.322   4.2643 5.239052 6.091323 
1 1 1    9   43  -10 o   35.694   6.1155  486.171  128.626  205.589  245.473  592.368  151.019   27.296   10.697   44.091   5.9306 -16.79462 12.23093 
1 1 1    9   44  -10 o   25.762   7.0252  191.977  148.200  169.501  216.426  211.819  203.357   25.202   9.9908   26.322   9.8792 -1.119972 14.05047 
1 1 1    9   45  -10 o  107.797   2.4978  3411.49  142.076  3515.02  261.849  3368.29  169.138  108.408   4.1822  107.187   2.7322 1.221619 4.995572 
1 1 1    9   46  -10 o   18.839   6.3604 -228.4057  186.810 -296.2224  240.243 -124.6888  297.103   16.620   8.0578   21.058   9.8434 -4.437582 12.72087 
1 1 1    9   47  -10 o   15.903   5.4557 -272.8217  156.613 -354.7179  238.948 -211.1454  207.363   15.745   7.7202   16.061   7.7109 -0.3164654 10.91141 
1 1 1    9   48  -10 o   20.521   8.4115  103.879  159.133   0.0000   0.0000  103.879  159.133  ?   ?    20.521   8.4115      ?      ? 
1 1 1    9    0  -11 o  437.237   2.8566 55218.23  721.282 55218.23  721.282   0.0000   0.0000  437.237   2.8566  437.237   2.8566 -0.000000 0.000000 
1 1 1    9    1  -11 o  725.293   4.4645 152041.30  1870.13 152498.50  2646.02 151585.00  2643.51  726.383   6.3073  724.203   6.3203 2.180176 8.929030 
1 1 1    9    2  -11 o  417.984   2.7353 50459.90  660.321 50459.90  660.321   0.0000   0.0000  417.984   2.7353  ?   ?       ?      ? 
1 1 1    9    3  -11 o  153.157   2.3430  6774.61  207.247  6774.61  207.247   0.0000   0.0000  153.157   2.3430  ?   ?       ?      ? 
1 1 1    9    4  -11 o  326.506   2.2208 30788.43  418.780 30788.43  418.780   0.0000   0.0000  326.506   2.2208  ?   ?       ?      ? 
1 1 1    9    5  -11 o  218.917   1.8849 13840.54  238.317 13840.54  238.317   0.0000   0.0000  218.917   1.8849  ?   ?       ?      ? 
1 1 1    9    6  -11 o  144.861   1.8555  6060.30  155.238  6060.30  155.238   0.0000   0.0000  144.861   1.8555  ?   ?       ?      ? 
1 1 1    9    7  -11 o  292.851   2.0792 24508.40  348.832 22835.59  459.434 26785.40  536.020  281.180   2.8291  304.523   3.0477 -23.34317 4.158440 
1 1 1    9    8  -11 o  513.418   3.1374 76139.66  930.302   0.0000   0.0000 76139.66  930.302  ?   ?   513.418   3.1374      ?      ? 
1 1 1    9    9  -11 o  197.647   2.1536 11282.17  245.834   0.0000   0.0000 11282.17  245.834  ?   ?   197.647   2.1536      ?      ? 
1 1 1    9   10  -11 o  517.168   3.1375 77258.80  937.124   0.0000   0.0000 77258.80  937.124  ?   ?   517.168   3.1375      ?      ? 
1 1 1    9   11  -11 o  236.611   2.2637 16169.53  309.338   0.0000   0.0000 16169.53  309.338  ?   ?   236.611   2.2637      ?      ? 
1 1 1    9   12  -11 f  310.788   2.2190 27897.06  398.294   0.0000   0.0000 27897.06  398.294  ?   ?   310.788   2.2190      ?      ? 
1 1 1    9   13  -11 o  403.218   2.5930 46962.16  603.844   0.0000   0.0000 46962.16  603.844  ?   ?   403.218   2.5930      ?      ? 
1 1 1    9   14  -11 o  185.479   2.3601  9936.82  252.822   0.0000   0.0000  9936.82  252.822  ?   ?   185.479   2.3601      ?      ? 
1 1 1    9   15  -11 o  237.953   2.0627 16313.85  282.328 15901.14  380.379 16820.11  421.291  234.615   2.8072  241.292   3.0231 -6.677048 4.125495 
1 1 1    9   16  -11 o  145.760   2.5293  6137.30  212.922   0.0000   0.0000  6137.30  212.922  ?   ?   145.760   2.5293      ?      ? 
1 1 1    9   17  -11 o  312.084   2.3753 28134.80  428.135   0.0000   0.0000 28134.80  428.135  ?   ?   312.084   2.3753      ?      ? 
1 1 1    9   18  -11 o  172.400   2.2513  8585.70  224.157   0.0000   0.0000  8585.70  224.157  ?   ?   172.400   2.2513      ?      ? 
1 1 1    9   19  -11 o  239.678   1.8681 16624.59  242.163 16520.29  424.319 16674.97  294.907  239.098   3.0728  240.259   2.1253 -1.161774 3.736159 
1 1 1    9   20  -11 o  115.190   2.2905  3864.04  142.247  3917.29  173.213  3753.72  249.293  116.437   2.5758  113.942   3.7883 2.494720 4.580980 
1 1 1    9   21  -11 o  ?   ?  -899.9677  126.108 -851.8896  143.578 -1062.2500  263.785  ?   ?   ?   ?       ?      ? 
1 1 1    9   22  -11 o  210.096   1.4918 12775.62  166.152 12694.92  302.055 12810.64  198.957  209.598   2.4952  210.593   1.6358 -0.9944153 2.983635 
1 1 1    9   23  -11 o  114.453   2.2043  3782.13  144.341  3749.70  191.076  3825.23  220.285  113.892   2.9049  115.014   3.3163 -1.122932 4.408616 
1 1 1    9   24  -11 o   79.411   3.7127  1827.03  159.145  1825.06  193.291  1831.16  280.409   79.399   4.2151   79.423   6.1131 -0.2328491E-01 7.425440 
1 1 1    9   25  -11 o   58.190   5.5205  982.511  185.530   0.0000   0.0000  982.511  185.530  ?   ?    58.190   5.5205      ?      ? 
1 1 1    9   26  -11 o   95.088   2.8584  2598.97  147.769  2675.59  258.487  2561.78  180.100   96.078   4.6583   94.099   3.3140 1.979004 5.716862 
1 1 1    9   27  -11 o  207.904   1.8880 12502.21  223.546 12474.91  345.998 12521.78  292.883  207.687   2.8846  208.122   2.4366 -0.4354401 3.775961 
1 1 1    9   28  -11 o   81.396   4.2616  1938.36  197.878  2010.60  263.084  1844.26  300.272   83.203   5.4748   79.590   6.5324 3.612740 8.523256 
1 1 1    9   29  -11 o  186.326   2.3454 10117.55  250.431 10806.46  341.424  9315.29  368.442  193.270   3.0588  179.383   3.5563 13.88741 4.690796 
1 1 1    9   30  -11 o  306.870   2.4714 27241.69  437.435 26903.06  601.721 27621.24  637.042  304.866   3.4174  308.874   3.5711 -4.008820 4.942835 
1 1 1    9   31  -11 o  360.468   2.5800 37682.46  535.722 38450.95  736.071 36816.87  781.193  364.423   3.4973  356.513   3.7940 7.910278 5.159968 
1 1 1    9   32  -11 o  211.454   2.3658 12928.64  288.922   0.0000   0.0000 12928.64  288.922  ?   ?   211.454   2.3658      ?      ? 
1 1 1    9   33  -11 o   86.910   3.7129  2229.61  168.399  2118.64  310.497  2275.86  200.439   85.220   6.3086   88.601   3.9170 -3.381798 7.425725 
1 1 1    9   34  -11 o   33.269   9.9122  333.558  204.724   0.0000   0.0000  333.558  204.724  ?   ?    33.269   9.9122      ?      ? 
1 1 1    9   35  -11 o  126.068   2.7472  4661.54  189.774  4454.43  320.484  4773.37  235.501  123.784   4.4829  128.352   3.1769 -4.568336 5.494442 
1 1 1    9   36  -11 f  140.142   2.3577  5824.91  164.676  5439.69  325.013  5957.96  191.008  136.795   4.1138  143.489   2.3049 -6.693787 4.715499 
1 1 1    9   37  -11 o  162.452   2.3440  7673.40  218.645  7534.38  325.649  7787.51  295.035  161.061   3.5008  163.842   3.1179 -2.780914 4.687990 
1 1 1    9   38  -11 o   92.995   3.3410  2521.13  172.689  2561.32  286.978  2498.32  216.216   93.415   5.3192   92.575   4.0440 0.8397903 6.681909 
1 1 1    9   39  -11 o  145.430   2.4228  6133.23  203.493   0.0000   0.0000  6133.23  203.493  ?   ?   145.430   2.4228      ?      ? 
1 1 1    9   40  -11 o   77.767   3.6098  1798.84  151.405  1753.54  264.625  1820.89  184.607   76.707   5.9733   78.828   4.0549 -2.121628 7.219596 
1 1 1    9   41  -11 o   51.973   6.2439  927.113  162.589  686.212  284.968  1043.38  197.974   44.951   11.054   58.995   5.8104 -14.04467 12.48787 
1 1 1    9   42  -11 o   47.401   6.4704  687.016  177.137   0.0000   0.0000  687.016  177.137  ?   ?    47.401   6.4704      ?      ? 
1 1 1    9   43  -11 o   22.182   6.6374   60.866  144.453  119.885  227.487   20.990  186.990   24.244   10.011   20.121   8.7182 4.123440 13.27482 
1 1 1    9   44  -11 o  125.769   2.9552  4644.48  214.657   0.0000   0.0000  4644.48  214.657  ?   ?   125.769   2.9552      ?      ? 
1 1 1    9   45  -11 o   22.070   9.2291   92.649  196.888   0.0000   0.0000   92.649  196.888  ?   ?    22.070   9.2291      ?      ? 
1 1 1    9   46  -11 o   15.564   7.4821 -217.2800  196.745   0.0000   0.0000 -217.2800  196.745  ?   ?    15.564   7.4821      ?      ? 
1 1 1    9   47  -11 o   40.839   6.6906  539.920  157.804   0.0000   0.0000  539.920  157.804  ?   ?    40.839   6.6906      ?      ? 
1 1 1    9   48  -11 o   23.493   7.0408  138.738  176.108  255.794  221.867 -60.6145  289.538   26.222   10.199   20.764   9.7095 5.458290 14.08156 
1 1 1    9    0  -12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    1  -12 o  401.890   2.7391 46649.91  635.767 46649.91  635.767   0.0000   0.0000  401.890   2.7391  ?   ?       ?      ? 
1 1 1    9    2  -12 o  406.283   2.7721 47675.63  650.455 47675.63  650.455   0.0000   0.0000  406.283   2.7721  ?   ?       ?      ? 
1 1 1    9    3  -12 o  223.520   2.0713 14429.03  267.392 14429.03  267.392   0.0000   0.0000  223.520   2.0713  ?   ?       ?      ? 
1 1 1    9    4  -12 f  471.216   3.0443 64135.71  828.505 64135.71  828.505   0.0000   0.0000  471.216   3.0443  ?   ?       ?      ? 
1 1 1    9    5  -12 f  389.532   2.8027 43836.20  630.505 43940.47  888.283 43730.34  895.092  390.000   3.9437  389.065   3.9835 0.9352722 5.605407 
1 1 1    9    6  -12 f  391.258   2.5561 44199.05  576.038 43915.97  784.983 44529.37  847.934  389.906   3.4859  392.610   3.7395 -2.703613 5.112284 
1 1 1    9    7  -12 o  306.967   2.0153 27227.41  338.549 27184.86  580.179 27249.38  416.883  306.774   3.2746  307.161   2.3500 -0.3868713 4.030554 
1 1 1    9    8  -12 o  216.163   2.2691 13495.93  282.895 13526.98  411.194 13468.02  389.810  216.397   3.2901  215.928   3.1258 0.4686584 4.538209 
1 1 1    9    9  -12 o  428.802   2.7585 53163.52  681.743 53796.18  937.646 52453.96  992.994  431.518   3.7623  426.086   4.0352 5.431854 5.517046 
1 1 1    9   10  -12 o  207.078   1.9834 12384.64  237.209 12384.64  237.209   0.0000   0.0000  207.078   1.9834  ?   ?       ?      ? 
1 1 1    9   11  -12 o  440.621   2.4214 56106.61  589.874 56027.13  988.997 56150.50  734.900  440.351   3.8888  440.891   2.8861 -0.5406189 4.842727 
1 1 1    9   12  -12 o  487.613   2.6461 68648.28  706.188 68860.30  1211.27 68539.11  869.194  488.138   4.2965  487.087   3.0898 1.051056 5.292109 
1 1 1    9   13  -12 o   98.722   2.7895  2807.53  111.334  2804.00  120.227  2828.74  294.980   98.530   2.1127   98.914   5.1635 -0.3845215 5.579052 
1 1 1    9   14  -12 o   49.542   5.4131  610.742  129.208  541.768  143.646  903.040  295.709   43.279   5.7469   55.805   9.1750 -12.52649 10.82621 
1 1 1    9   15  -12 o   94.784   2.8325  2575.96  143.281  2543.28  171.827  2650.55  259.583   93.821   3.1711   95.748   4.6942 -1.926849 5.664913 
1 1 1    9   16  -12 o  121.755   1.9264  4279.87  129.284  4292.34  218.448  4273.15  160.389  121.883   3.1033  121.626   2.2833 0.2564926 3.852765 
1 1 1    9   17  -12 o  303.020   1.9738 26533.96  326.804 26515.44  561.951 26543.42  401.722  302.914   3.2121  303.126   2.2947 -0.2120972 3.947567 
1 1 1    9   18  -12 o  224.073   1.4985 14501.42  193.919   0.0000   0.0000 14501.42  193.919  ?   ?   224.073   1.4985      ?      ? 
1 1 1    9   19  -12 o  133.507   1.8947  5157.50  145.792  5021.04  211.421  5281.23  201.311  131.818   2.7771  135.197   2.5782 -3.378403 3.789364 
1 1 1    9   20  -12 o  173.203   1.6384  8666.96  162.128  8670.92  248.208  8664.01  214.118  173.231   2.4809  173.175   2.1408 0.5584717E-01 3.276875 
1 1 1    9   21  -12 o   47.467   3.8324  651.985  104.968  614.715  146.002  691.860  151.020   46.062   5.4882   48.871   5.3505 -2.808914 7.664723 
1 1 1    9   22  -12 o  111.744   2.6639  3608.95  171.920   0.0000   0.0000  3608.95  171.920  ?   ?   111.744   2.6639      ?      ? 
1 1 1    9   23  -12 o  218.815   1.9273 13864.58  218.840 13895.36  258.157 13785.98  412.536  219.297   2.0383  218.333   3.2716 0.9635925 3.854586 
1 1 1    9   24  -12 o  155.639   2.0332  6994.64  172.979  7032.94  297.619  6975.10  212.569  155.928   3.3048  155.350   2.3692 0.5789642 4.066346 
1 1 1    9   25  -12 o  100.624   3.0753  2914.35  177.309  3077.70  271.088  2792.22  234.400  103.057   4.5546   98.191   4.1333 4.865685 6.150508 
1 1 1    9   26  -12 o   31.308   6.3586  293.757  121.062  300.678  172.108  286.980  170.321   31.636   8.9940   30.980   8.9907 0.6558723 12.71712 
1 1 1    9   27  -12 o  129.122   2.9635  4822.61  221.003   0.0000   0.0000  4822.61  221.003  ?   ?   129.122   2.9635      ?      ? 
1 1 1    9   28  -12 o  233.309   1.8767 15564.11  217.094 16085.00  443.335 15399.80  248.989  235.767   3.2558  230.851   1.8675 4.915848 3.753418 
1 1 1    9   29  -12 o  105.392   3.5563  3270.46  211.629  2974.01  327.357  3483.32  277.388  101.165   5.6028  109.619   4.3814 -8.453499 7.112547 
1 1 1    9   30  -12 o  232.101   2.3982 15599.87  321.346 15889.49  451.059 15301.36  457.922  234.299   3.3333  229.903   3.4487 4.395889 4.796339 
1 1 1    9   31  -12 o  119.225   2.9251  4112.72  201.414   0.0000   0.0000  4112.72  201.414  ?   ?   119.225   2.9251      ?      ? 
1 1 1    9   32  -12 o   63.367   5.9728  1169.73  218.589   0.0000   0.0000  1169.73  218.589  ?   ?    63.367   5.9728      ?      ? 
1 1 1    9   33  -12 o  169.113   2.7386  8275.76  267.479   0.0000   0.0000  8275.76  267.479  ?   ?   169.113   2.7386      ?      ? 
1 1 1    9   34  -12 o  126.771   2.7208  4570.97  183.587  4897.51  337.217  4433.42  218.866  129.818   4.4977  123.724   3.0629 6.094543 5.441575 
1 1 1    9   35  -12 o  137.568   2.9282  5486.51  232.379  5815.04  338.012  5192.06  319.996  141.465   4.1371  133.671   4.1450 7.793915 5.856337 
1 1 1    9   36  -12 o  128.409   2.8163  4777.91  208.865   0.0000   0.0000  4777.91  208.865  ?   ?   128.409   2.8163      ?      ? 
1 1 1    9   37  -12 o   39.248   6.8494  539.364  166.514  175.932  295.278  708.831  201.633   29.604   11.691   48.893   7.1405 -19.28910 13.69888 
1 1 1    9   38  -12 o  123.398   2.5637  4527.17  156.700  4252.32  312.310  4619.64  181.152  120.566   4.4851  126.229   2.4848 -5.663017 5.127457 
1 1 1    9   39  -12 o   68.037   5.5498  1471.46  205.760  1107.58  320.933  1725.42  268.114   59.900   9.2768   76.173   6.0944 -16.27273 11.09964 
1 1 1    9   40  -12 o   84.746   3.8274  2125.18  186.908  2304.51  275.157  1971.55  254.685   88.051   5.4108   81.440   5.4148 6.610550 7.654824 
1 1 1    9   41  -12 o   63.143   5.6180  1197.06  204.875   0.0000   0.0000  1197.06  204.875  ?   ?    63.143   5.6180      ?      ? 
1 1 1    9   42  -12 o   53.145   5.1711  834.690  150.784  1042.79  267.465  737.741  182.559   57.287   8.0840   49.003   6.4505 8.283459 10.34216 
1 1 1    9   43  -12 o   83.177   3.6167  2059.67  166.211  2203.89  282.644  1983.44  205.498   84.861   5.7669   81.492   4.3662 3.369202 7.233364 
1 1 1    9   44  -12 o   20.406   6.4480 -10.6829  153.825 -39.7374  240.950   9.3052  199.851   20.702   9.3738   20.109   8.8565 0.5924797 12.89592 
1 1 1    9   45  -12 o   42.403   6.5939  616.622  156.565  801.135  242.906  485.488  204.777   48.025   9.0906   36.780   9.5541 11.24432 13.18783 
1 1 1    9   46  -12 o   61.474   4.5342  1181.26  146.491  1256.57  271.343  1150.27  174.032   61.654   7.6203   61.294   4.9161 0.3598938 9.068460 
1 1 1    9   47  -12 o   43.341   6.4915  674.056  156.951  837.032  239.414  551.226  207.844   48.257   8.9187   38.426   9.4348 9.831429 12.98302 
1 1 1    9    0  -13 o  251.860   2.4657 18279.39  357.895 19823.49  520.828 16897.98  492.628  261.917   3.4444  241.804   3.5292 -0.000000 0.000000 
1 1 1    9    1  -13 o  558.117   3.4909 90021.11  1125.09 89493.20  1602.02 90534.90  1580.44  556.499   4.9845  559.735   4.8889 -3.236877 6.981839 
1 1 1    9    2  -13 o  557.237   3.5238 89699.44  1134.06 89699.44  1134.06   0.0000   0.0000  557.237   3.5238  ?   ?       ?      ? 
1 1 1    9    3  -13 o  902.557   4.6537 236070.30  2301.78 233826.50  3925.11 237246.41  2841.68  899.099   7.5589  906.015   5.4307 -6.915833 9.307490 
1 1 1    9    4  -13 o  369.690   2.1077 39474.89  449.976 39322.14  631.641 39632.32  641.189  368.964   2.9642  370.415   2.9972 -1.451263 4.215364 
1 1 1    9    5  -13 o  245.556   2.3339 17415.25  330.992   0.0000   0.0000 17415.25  330.992  ?   ?   245.556   2.3339      ?      ? 
1 1 1    9    6  -13 o  353.502   2.1305 36254.09  408.705 36561.94  499.988 35634.17  709.520  355.792   2.4332  351.213   3.4979 4.578735 4.260971 
1 1 1    9    7  -13 o  409.138   2.3617 48500.98  532.295 47874.87  896.997 48841.30  661.324  407.070   3.8154  411.206   2.7846 -4.135315 4.723477 
1 1 1    9    8  -13 o  490.297   3.1988 69459.59  904.952 69259.98  1252.33 69677.71  1309.15  489.567   4.4292  491.027   4.6164 -1.459381 6.397513 
1 1 1    9    9  -13 o  380.151   2.2481 41811.01  473.090 41525.62  789.931 41970.63  590.755  379.117   3.6077  381.185   2.6834 -2.067902 4.496239 
1 1 1    9   10  -13 o  338.207   2.1162 33074.01  394.537 32938.86  665.391 33147.29  489.958  337.656   3.4121  338.759   2.5043 -1.103546 4.232449 
1 1 1    9   11  -13 o  400.455   1.6250 46301.29  357.607 46378.38  608.044 46260.52  442.163  400.695   2.6275  400.214   1.9130 0.4809570 3.250061 
1 1 1    9   12  -13 o  124.373   2.5005  4524.17  154.047  4577.03  177.578  4363.40  309.669  125.879   2.4426  122.868   4.3639 3.010979 5.000986 
1 1 1    9   13  -13 o  177.114   1.3530  9055.64  137.546  9102.09  206.530  9018.63  184.387  177.520   2.0144  176.708   1.8067 0.8120422 2.705942 
1 1 1    9   14  -13 o  173.616   2.0300  8635.77  178.301  8559.12  206.659  8858.99  352.670  172.141   2.0787  175.091   3.4875 -2.950165 4.060032 
1 1 1    9   15  -13 o  244.107   1.7950 17249.34  219.382 17144.41  437.384 17284.61  253.587  243.585   3.1090  244.629   1.7949 -1.044006 3.589953 
1 1 1    9   16  -13 f  161.524   2.1239  7459.25  184.443  7755.55  330.477  7325.19  222.284  163.811   3.4931  159.236   2.4170 4.574173 4.247803 
1 1 1    9   17  -13 o   82.997   4.0481  1991.78  194.043   0.0000   0.0000  1991.78  194.043  ?   ?    82.997   4.0481      ?      ? 
1 1 1    9   18  -13 o  184.258   1.4628  9813.17  152.634  9780.18  240.567  9835.40  197.472  183.992   2.2639  184.524   1.8530 -0.5323181 2.925508 
1 1 1    9   19  -13 o  210.170   1.3035 12772.53  155.235 12826.61  201.186 12692.95  244.037  210.727   1.6531  209.613   2.0158 1.114487 2.606957 
1 1 1    9   20  -13 o  297.507   2.2697 25594.27  387.647 25643.44  520.739 25533.16  580.556  297.846   3.0272  297.168   3.3826 0.6781616 4.539418 
1 1 1    9   21  -13 o  301.398   1.5665 26243.92  272.174 26178.94  373.551 26317.45  397.379  301.006   2.1488  301.790   2.2799 -0.7844543 3.132907 
1 1 1    9   22  -13 o  250.186   1.7477 18093.63  212.256 18096.45  241.770 18084.14  443.307  250.285   1.6726  250.087   3.0692 0.1987915 3.495368 
1 1 1    9   23  -13 o   58.125   4.2181  965.702  136.740  924.993  170.711  1038.58  228.410   56.479   5.2335   59.772   6.6166 -3.292904 8.436150 
1 1 1    9   24  -13 o  311.323   2.0242 27989.98  334.189 27934.02  399.822 28119.72  608.760  310.892   2.2268  311.755   3.3810 -0.8631897 4.048419 
1 1 1    9   25  -13 o  157.650   1.8059  7231.29  139.757  7273.05  160.198  7098.25  285.926  158.658   1.7483  156.642   3.1605 2.015549 3.611840 
1 1 1    9   26  -13 o  222.220   2.1600 14272.68  277.213 14272.68  277.213   0.0000   0.0000  222.220   2.1600  ?   ?       ?      ? 
1 1 1    9   27  -13 o  121.780   2.7937  4289.15  196.492   0.0000   0.0000  4289.15  196.492  ?   ?   121.780   2.7937      ?      ? 
1 1 1    9   28  -13 o   75.271   3.8008  1640.80  165.228   0.0000   0.0000  1640.80  165.228  ?   ?    75.271   3.8008      ?      ? 
1 1 1    9   29  -13 o   94.023   3.7134  2576.20  200.702  2459.63  294.396  2677.43  274.337   91.999   5.5407   96.047   4.9455 -4.048424 7.426814 
1 1 1    9   30  -13 o  207.105   1.6534 12400.31  197.535 12386.06  272.801 12416.02  286.408  206.986   2.2820  207.224   2.3931 -0.2383423 3.306738 
1 1 1    9   31  -13 o  147.288   2.9532  6277.57  251.218   0.0000   0.0000  6277.57  251.218  ?   ?   147.288   2.9532      ?      ? 
1 1 1    9   32  -13 o  169.824   2.0281  8337.35  198.915   0.0000   0.0000  8337.35  198.915  ?   ?   169.824   2.0281      ?      ? 
1 1 1    9   33  -13 o  209.769   2.3867 12728.41  289.155   0.0000   0.0000 12728.41  289.155  ?   ?   209.769   2.3867      ?      ? 
1 1 1    9   34  -13 o   26.870   9.4973  190.307  183.935   0.0000   0.0000  190.307  183.935  ?   ?    26.870   9.4973      ?      ? 
1 1 1    9   35  -13 o   86.365   3.8021  2166.50  189.648   0.0000   0.0000  2166.50  189.648  ?   ?    86.365   3.8021      ?      ? 
1 1 1    9   36  -13 f  149.085   2.8783  6477.01  247.509  6658.56  344.614  6283.59  355.711  151.281   3.9442  146.889   4.1930 4.392670 5.756566 
1 1 1    9   37  -13 o   29.899   8.2649  191.316  208.811  118.647  305.734  254.850  285.872   28.368   11.647   31.430   11.730 -3.061605 16.52988 
1 1 1    9   38  -13 o  105.483   3.6887  3244.90  224.723   0.0000   0.0000  3244.90  224.723  ?   ?   105.483   3.6887      ?      ? 
1 1 1    9   39  -13 o  105.833   3.0544  3208.87  177.218  3543.31  309.169  3045.22  216.275  109.595   4.8845  102.071   3.6688 7.523445 6.108860 
1 1 1    9   40  -13 o   28.183   9.9041  239.574  199.775   0.0000   0.0000  239.574  199.775  ?   ?    28.183   9.9041      ?      ? 
1 1 1    9   41  -13 o   52.663   5.8888  877.664  166.601  920.081  281.629  854.829  206.635   52.591   9.6270   52.735   6.7846 -0.1442680 11.77751 
1 1 1    9   42  -13 o   39.721   8.4226  523.766  187.227   0.0000   0.0000  523.766  187.227  ?   ?    39.721   8.4226      ?      ? 
1 1 1    9   43  -13 o   45.993   5.8049  665.629  135.783  775.686  259.239  624.020  159.397   47.092   9.8484   44.894   6.1477 2.197994 11.60971 
1 1 1    9   44  -13 f   29.031   9.6284  294.480  188.303   0.0000   0.0000  294.480  188.303  ?   ?    29.031   9.6284      ?      ? 
1 1 1    9   45  -13 o   16.058   5.6041 -476.4995  191.106 -300.7378  251.878 -714.9399  293.372   17.017   8.2502   15.099   7.5865 1.917577 11.20813 
1 1 1    9   46  -13 o   49.080   5.7630  825.287  150.395  812.304  253.060  832.376  187.003   47.131   9.6222   51.029   6.3452 -3.897667 11.52599 
1 1 1    9   47  -13 o   49.680   7.0772  942.966  195.785  983.257  285.901  907.386  268.666   50.528   10.150   48.832   9.8657 1.695217 14.15435 
1 1 1    9    0  -14 o   92.865   3.1786  2499.48  170.027  2499.48  170.027   0.0000   0.0000   92.865   3.1786   92.865   3.1786 -0.000000 0.000000 
1 1 1    9    1  -14 o  358.914   2.2323 37113.96  437.435 37511.44  755.566 36913.56  536.492  360.337   3.6306  357.492   2.5984 2.844818 4.464651 
1 1 1    9    2  -14 o  219.889   2.2860 13964.99  290.312   0.0000   0.0000 13964.99  290.312  ?   ?   219.889   2.2860      ?      ? 
1 1 1    9    3  -14 o   57.554   4.1422  957.120  137.687   0.0000   0.0000  957.120  137.687  ?   ?    57.554   4.1422      ?      ? 
1 1 1    9    4  -14 o  200.126   1.6672 11572.47  190.369 11536.87  292.642 11598.58  250.653  199.856   2.5353  200.396   2.1657 -0.5399170 3.334390 
1 1 1    9    5  -14 o  165.669   2.4844  7918.51  222.954  7960.42  390.625  7898.26  271.526  165.981   4.0749  165.358   2.8432 0.6237488 4.968732 
1 1 1    9    6  -14 o   52.995   4.6779  785.551  138.026  718.941  170.668  911.489  234.671   49.863   5.9264   56.126   7.2395 -6.263184 9.355850 
1 1 1    9    7  -14 o  317.810   2.1033 29029.55  363.147 29610.95  634.899 28746.86  442.716  320.145   3.4338  315.476   2.4298 4.668640 4.206526 
1 1 1    9    8  -14 o  437.709   2.1989 55348.07  555.796 55341.39  779.680 55354.97  792.506  437.684   3.0844  437.734   3.1348 -0.5078125E-01 4.397766 
1 1 1    9    9  -14 f  178.923   2.0400  9302.92  202.917  9042.95  333.645  9455.52  255.627  176.919   3.2653  180.928   2.4463 -4.009735 4.080057 
1 1 1    9   10  -14 o  483.989   2.3854 67675.22  666.613 67449.62  931.608 67911.92  954.266  483.165   3.3385  484.813   3.4081 -1.647552 4.770812 
1 1 1    9   11  -14 o  281.798   1.5747 22937.91  256.232 22910.61  366.031 22964.16  358.811  281.633   2.2503  281.964   2.2034 -0.3305054 3.149428 
1 1 1    9   12  -14 o  244.562   1.5154 17274.89  214.009 17337.77  305.901 17214.61  299.511  244.998   2.1619  244.127   2.1243 0.8705902 3.030893 
1 1 1    9   13  -14 o  101.622   2.3048  3058.19  100.785  3096.48  110.754  2873.75  243.064  103.541   1.8521   99.703   4.2211 3.837196 4.609537 
1 1 1    9   14  -14 o   69.496   3.6091  1354.83  134.618  1510.89  245.716  1287.90  160.916   72.249   5.8886   66.743   4.1745 5.505798 7.218219 
1 1 1    9   15  -14 o  574.313   2.3231 95282.95  758.682 95553.80  1181.95 95093.16  989.417  574.967   3.5594  573.659   2.9863 1.308105 4.646209 
1 1 1    9   16  -14 o  197.117   1.9075 11216.66  202.229 11255.01  359.006 11198.83  244.755  197.342   3.1499  196.891   2.1524 0.4506226 3.815059 
1 1 1    9   17  -14 o   97.893   3.7754  2757.62  211.305  2889.39  325.748  2661.89  277.643   99.885   5.6467   95.901   5.0128 3.983566 7.550741 
1 1 1    9   18  -14 o   28.188   7.2274  186.997  141.222  200.504  263.253  181.539  167.338   30.108   11.252   26.267   9.0738 3.841740 14.45488 
1 1 1    9   19  -14 o  307.329   1.6921 27258.99  299.027 26947.50  403.308 27639.28  445.630  305.390   2.2866  309.267   2.4949 -3.877777 3.384269 
1 1 1    9   20  -14 f  214.833   1.8184 13444.30  201.675 13576.89  237.605 13102.63  381.422  216.783   1.8978  212.883   3.1023 3.899689 3.636708 
1 1 1    9   21  -14 o  162.366   1.8574  7606.04  152.823  7590.87  177.592  7649.33  300.008  162.091   1.8970  162.640   3.1939 -0.5487823 3.714798 
1 1 1    9   22  -14 o   34.091   5.3027  349.799  101.953  279.059  140.317  428.911  148.388   30.384   7.9166   37.797   7.0571 -7.413630 10.60540 
1 1 1    9   23  -14 o  336.718   1.9539 32674.78  370.570 33265.12  596.372 32303.49  472.960  339.142   3.0447  334.295   2.4497 4.846863 3.907862 
1 1 1    9   24  -14 o  116.593   2.0094  3955.98  131.876  4046.71  169.635  3817.39  209.662  118.313   2.4825  114.873   3.1602 3.440536 4.018700 
1 1 1    9   25  -14 o  206.881   2.0295 12444.67  227.523 12185.87  395.659 12572.52  278.104  205.209   3.3384  208.553   2.3089 -3.344040 4.059074 
1 1 1    9   26  -14 o   72.856   2.5568  1534.42  102.147  1529.46  125.940  1543.95  174.628   72.713   2.9989   72.999   4.1420 -0.2857971 5.113689 
1 1 1    9   27  -14 o  107.600   2.0987  3345.37  130.285  3427.87  189.505  3271.42  179.410  108.854   3.0143  106.347   2.9210 2.507286 4.197457 
1 1 1    9   28  -14 o  166.772   2.4754  8062.71  237.695  8203.43  325.300  7901.50  348.166  168.354   3.3456  165.190   3.6494 3.163147 4.950852 
1 1 1    9   29  -14 o  105.427   3.0868  3215.61  173.135  3204.23  207.607  3241.58  313.745  105.205   3.4168  105.648   5.1420 -0.4430847 6.173697 
1 1 1    9   30  -14 o  222.782   2.2614 14365.91  290.851 14346.51  405.608 14386.45  417.292  222.634   3.1545  222.929   3.2411 -0.2953186 4.522759 
1 1 1    9   31  -14 o  155.405   2.6917  6999.99  241.589  6992.83  340.792  7007.23  342.532  155.326   3.7989  155.484   3.8144 -0.1574097 5.383461 
1 1 1    9   32  -14 o  305.358   2.3046 26991.06  405.676 26734.03  555.727 27284.29  593.564  303.829   3.1670  306.887   3.3489 -3.058716 4.609237 
1 1 1    9   33  -14 o  156.633   2.0082  7057.49  153.534  7189.77  319.549  7017.78  175.065  157.472   3.5136  155.795   1.9456 1.676865 4.016315 
1 1 1    9   34  -14 o  300.999   2.6357 26232.14  458.193   0.0000   0.0000 26232.14  458.193  ?   ?   300.999   2.6357      ?      ? 
1 1 1    9   35  -14 o  116.131   3.6210  3917.60  242.860   0.0000   0.0000  3917.60  242.860  ?   ?   116.131   3.6210      ?      ? 
1 1 1    9   36  -14 o   57.953   6.1632  991.921  203.792  1129.65  319.919  897.870  264.372   61.185   9.0534   54.720   8.3653 6.464317 12.32648 
1 1 1    9   37  -14 o   57.320   6.8460  1023.88  220.058  888.240  309.484  1162.59  312.963   52.762   10.525   61.878   8.7573 -9.115849 13.69196 
1 1 1    9   38  -14 o   96.630   3.6767  2801.34  199.941  2526.07  310.799  2995.70  261.155   92.240   5.8341  101.019   4.4762 -8.779121 7.353449 
1 1 1    9   39  -14 o   77.717   4.2280  1839.16  178.803  1708.39  302.515  1909.37  221.667   75.058   6.9786   80.377   4.7751 -5.318932 8.455903 
1 1 1    9   40  -14 o   67.671   4.3413  1321.31  153.711  1545.53  295.072  1237.80  180.074   70.831   7.2131   64.511   4.8332 6.320099 8.682615 
1 1 1    9   41  -14 o   40.426   6.7050  504.875  156.546   0.0000   0.0000  504.875  156.546  ?   ?    40.426   6.7050      ?      ? 
1 1 1    9   42  -14 o   80.475   3.8744  1895.51  170.050  2208.58  302.300  1750.59  205.676   84.576   6.1888   76.374   4.6629 8.201851 7.748754 
1 1 1    9   43  -14 o   70.780   4.1698  1631.05  143.617  1373.38  280.463  1722.63  167.202   65.426   7.4223   76.134   3.8026 -10.70833 8.339697 
1 1 1    9   44  -14 o   31.365   6.3685  344.871  119.370  341.173  151.398  350.946  194.068   31.513   8.2293   31.218   9.7216 0.2944145 12.73697 
1 1 1    9   45  -14 o   29.089   9.9544  309.736  201.207   0.0000   0.0000  309.736  201.207  ?   ?    29.089   9.9544      ?      ? 
1 1 1    9   46  -14 o   46.234   5.2157  767.714  117.668  587.417  210.963  849.135  141.769   39.854   9.3300   52.614   4.6655 -12.75945 10.43147 
1 1 1    9    0  -15 o  221.022   2.2097 14112.33  282.008 14112.33  282.008   0.0000   0.0000  221.022   2.2097  221.022   2.2097 -0.000000 0.000000 
1 1 1    9    1  -15 o  125.668   2.0244  4562.99  146.883  4612.97  205.894  4511.19  209.605  126.370   2.8211  124.967   2.9042 1.403122 4.048786 
1 1 1    9    2  -15 o   74.824   3.2469  1602.77  138.472  1709.75  216.760  1529.02  179.984   76.909   4.8800   72.739   4.2843 4.170425 6.493795 
1 1 1    9    3  -15 o  276.193   2.3148 22037.03  369.201 21964.21  518.231 22112.09  526.117  275.731   3.2543  276.656   3.2927 -0.9252014 4.629508 
1 1 1    9    4  -15 o  182.511   1.9776  9619.58  199.845  9631.75  334.190  9612.81  249.340  182.592   3.1690  182.430   2.3665 0.1625366 3.955142 
1 1 1    9    5  -15 o  350.103   2.1941 35318.44  419.031 35689.31  725.002 35132.39  513.483  351.456   3.5718  348.750   2.5493 2.705231 4.388240 
1 1 1    9    6  -15 o  405.401   3.0257 47479.41  708.433   0.0000   0.0000 47479.41  708.433  ?   ?   405.401   3.0257      ?      ? 
1 1 1    9    7  -15 o  286.807   2.2638 23748.62  374.452 24071.19  545.795 23461.77  514.683  288.642   3.2740  284.972   3.1272 3.670837 4.527540 
1 1 1    9    8  -15 o  429.848   2.5040 53535.63  587.068 52944.70  1010.47 53836.73  721.289  428.007   4.0878  431.688   2.8930 -3.681183 5.007968 
1 1 1    9    9  -15 o   79.231   2.4373  1784.67  105.540  1726.60  128.775  1903.48  184.197   77.308   2.8842   81.155   3.9299 -3.847801 4.874676 
1 1 1    9   10  -15 o  110.538   2.2110  3560.79  132.570  3441.04  229.315  3620.90  162.472  109.120   3.6387  111.957   2.5127 -2.837692 4.421950 
1 1 1    9   11  -15 o  137.490   1.5782  5456.19  124.927  5512.82  184.565  5408.30  169.714  138.146   2.3133  136.833   2.1475 1.312714 3.156442 
1 1 1    9   12  -15 o  151.372   1.8757  6618.33  163.980   0.0000   0.0000  6618.33  163.980  ?   ?   151.372   1.8757      ?      ? 
1 1 1    9   13  -15 o  144.417   1.4686  6038.71  119.529  5959.50  190.592  6090.06  153.458  143.630   2.2976  145.205   1.8299 -1.574890 2.937258 
1 1 1    9   14  -15 o  193.313   1.9191 10803.32  205.301 10817.53  256.106 10777.77  343.412  193.507   2.2916  193.119   3.0790 0.3881226 3.838157 
1 1 1    9   15  -15 f  221.554   1.8269 14215.01  228.483 14029.66  362.638 14337.03  294.228  220.340   2.8497  222.768   2.2869 -2.428452 3.653833 
1 1 1    9   16  -15 o  297.114   1.9064 25293.06  285.360 25952.39  568.048 25070.51  330.025  299.632   3.2825  294.596   1.9397 5.036621 3.812817 
1 1 1    9   17  -15 o  256.788   1.8516 19051.54  255.182 19065.41  454.474 19045.17  308.383  256.822   3.0640  256.753   2.0796 0.6823730E-01 3.703126 
1 1 1    9   18  -15 f  217.868   1.2231 13703.51  153.752 13530.97  212.323 13893.73  222.941  216.428   1.6986  219.308   1.7602 -2.879318 2.446114 
1 1 1    9   19  -15 o   37.557   3.7529  381.856   77.931  321.887   94.894  506.096  136.586   33.335   4.9289   41.778   5.6607 -8.443253 7.505838 
1 1 1    9   20  -15 f   58.996   2.8145  1008.11   95.792  1027.07  133.146  987.763  137.919   59.575   3.8697   58.417   4.0879 1.158215 5.629026 
1 1 1    9   21  -15 o  164.061   1.4167  7812.58  132.033  7576.07  204.586  7981.40  172.847  161.913   2.1878  166.208   1.8006 -4.294769 2.833499 
1 1 1    9   22  -15 o  107.511   2.1174  3319.58  127.776  3246.97  161.738  3440.16  208.415  105.976   2.6425  109.047   3.3093 -3.070763 4.234874 
1 1 1    9   23  -15 o  143.288   2.1899  5922.97  177.771  5857.53  229.443  6021.26  281.189  142.323   2.7913  144.252   3.3751 -1.928986 4.379848 
1 1 1    9   24  -15 o  311.481   2.2367 28043.13  402.375 28043.13  402.375   0.0000   0.0000  311.481   2.2367  ?   ?       ?      ? 
1 1 1    9   25  -15 o  234.028   1.4848 15854.91  189.543 15907.59  232.753 15751.19  326.590  234.639   1.7176  233.417   2.4226 1.222336 2.969694 
1 1 1    9   26  -15 f   67.976   2.9593  1336.64  116.178  1336.64  116.178   0.0000   0.0000   67.976   2.9593  ?   ?       ?      ? 
1 1 1    9   27  -15 o  138.218   1.5492  5524.17  123.614  5435.21  176.471  5609.87  173.209  137.123   2.2283  139.314   2.1527 -2.190399 3.098335 
1 1 1    9   28  -15 o   80.470   4.0971  2117.80  108.209  2176.08  114.252  1610.17  337.199   86.760   2.2801   74.181   7.8706 12.57896 8.194271 
1 1 1    9   29  -15 o  108.343   3.6698  3409.14  229.553  3467.40  329.938  3354.48  319.583  109.234   5.2298  107.451   5.1498 1.783241 7.339698 
1 1 1    9   30  -15 o  132.926   2.4736  5097.16  186.035  5016.07  239.219  5221.24  295.922  131.633   3.1466  134.219   3.8175 -2.586304 4.947176 
1 1 1    9   31  -15 o  206.145   1.6934 12288.09  201.585 12475.08  288.215 12109.00  282.053  207.679   2.4029  204.611   2.3868 3.067642 3.386859 
1 1 1    9   32  -15 o   76.897   4.4008  1812.18  182.417  1465.48  301.803  2011.74  228.977   70.627   7.3989   83.166   4.7671 -12.53916 8.801655 
1 1 1    9   33  -15 o  163.798   2.2138  7724.45  199.161  7613.01  245.333  7939.83  341.063  162.165   2.6195  165.431   3.5697 -3.266647 4.427693 
1 1 1    9   34  -15 o   94.993   2.8652  2636.15  156.428  2798.54  215.494  2455.26  227.436   98.139   3.8020   91.846   4.2876 6.292992 5.730468 
1 1 1    9   35  -15 o  111.954   2.7474  3631.50  170.419  3590.96  212.338  3704.89  285.680  111.200   3.3063  112.709   4.3887 -1.508942 5.494748 
1 1 1    9   36  -15 f   55.479   4.4287  913.307  141.162  1021.07  200.025  806.385  199.243   58.827   5.8874   52.132   6.6175 6.694855 8.857356 
1 1 1    9   37  -15 o   22.126   6.9574 -33.3022  165.858 -125.6833  312.581   2.8996  195.675   23.447   10.641   20.805   8.9665 2.642067 13.91476 
1 1 1    9   38  -15 o   19.283   5.9887 -19.1874  125.973 -41.6901  202.823  -5.0547  160.736   19.929   8.8420   18.638   8.0794 1.290945 11.97736 
1 1 1    9   39  -15 o   17.528   7.6733 -14.3584  148.043   0.0000   0.0000 -14.3584  148.043  ?   ?    17.528   7.6733      ?      ? 
1 1 1    9   40  -15 o   41.707   6.1295  539.631  118.504  613.072  267.747  521.740  132.153   41.809   10.956   41.605   5.4998 0.2044792 12.25905 
1 1 1    9   41  -15 o   57.584   3.6264  1028.20  116.228  866.675  180.896  1141.77  151.680   53.232   5.8840   61.936   4.2403 -8.703873 7.252713 
1 1 1    9   42  -15 o   46.351   7.3695  760.114  189.963  714.484  246.497  826.846  298.096   45.196   9.7311   47.505   11.070 -2.308918 14.73910 
1 1 1    9   43  -15 f   33.881   7.0163  427.750  147.903  335.395  247.007  479.370  184.668   30.512   10.982   37.250   8.7353 -6.737940 14.03251 
1 1 1    9   44  -15 o   36.027   6.2700  534.028  131.577  235.277  274.931  622.782  149.853   27.352   11.116   44.703   5.8042 -17.35128 12.53993 
1 1 1    9   45  -15 o   46.462   4.3892  698.663  112.072  641.674  183.655  732.477  141.465   44.178   7.1979   48.745   5.0249 -4.567051 8.778393 
1 1 1    9   46  -15 o   52.140   5.1235  958.171  115.491  824.393  247.543  995.392  130.573   46.940   9.4580   57.340   3.9428 -10.40047 10.24695 
1 1 1    9    0  -16 o  136.805   2.9409  5486.75  227.653  5823.90  300.721  5034.18  348.418  141.848   3.6764  131.761   4.5912 -0.000000 0.000000 
1 1 1    9    1  -16 o  183.357   1.8016  9706.59  190.305  9779.74  279.648  9643.50  259.719  183.998   2.6316  182.716   2.4612 1.282272 3.603122 
1 1 1    9    2  -16 o  388.265   2.6354 43562.83  590.941 43473.82  839.426 43650.28  832.058  387.871   3.7472  388.660   3.7068 -0.7892761 5.270868 
1 1 1    9    3  -16 o  472.879   2.6357 64550.30  679.979 64825.94  1174.31 64411.27  834.029  473.584   4.2934  472.174   3.0584 1.410126 5.271326 
1 1 1    9    4  -16 o  361.686   2.3402 37887.67  462.403 37518.55  793.600 38077.39  568.963  360.316   3.8136  363.056   2.7135 -2.740173 4.680413 
1 1 1    9    5  -16 f  477.078   2.0508 65887.52  554.996 65039.50  868.022 66473.91  721.813  474.456   3.1677  479.701   2.6054 -5.244507 4.101526 
1 1 1    9    6  -16 o  132.808   3.0237  5095.92  231.924   0.0000   0.0000  5095.92  231.924  ?   ?   132.808   3.0237      ?      ? 
1 1 1    9    7  -16 o  402.466   2.7468 46795.31  638.467   0.0000   0.0000 46795.31  638.467  ?   ?   402.466   2.7468      ?      ? 
1 1 1    9    8  -16 o  248.069   1.9573 17776.73  263.150 17772.81  320.813 17784.79  460.059  248.047   2.2394  248.091   3.2108 -0.4385376E-01 3.914634 
1 1 1    9    9  -16 o  162.574   2.2487  7776.43  167.391  7409.71  374.133  7868.21  187.170  160.101   4.0462  165.047   1.9636 -4.945450 4.497469 
1 1 1    9   10  -16 o  480.156   2.7285 66914.36  714.454 65819.20  1228.44 67474.16  878.270  477.093   4.4583  483.219   3.1470 -6.125854 5.457087 
1 1 1    9   11  -16 o  242.493   2.2025 17025.44  307.144 16609.62  452.730 17380.03  418.072  239.735   3.2698  245.250   2.9516 -5.514618 4.404947 
1 1 1    9   12  -16 o  230.006   1.8637 15306.05  230.575 15342.54  279.362 15228.06  408.385  230.460   2.0989  229.552   3.0804 0.9075928 3.727458 
1 1 1    9   13  -16 o  152.593   2.2461  6779.90  158.845  6645.79  351.882  6814.22  178.015  151.599   4.0190  153.587   2.0069 -1.988632 4.492176 
1 1 1    9   14  -16 o  174.613   1.8463  8922.00  144.916  8989.56  160.943  8632.56  333.116  176.417   1.5796  172.809   3.3377 3.608032 3.692582 
1 1 1    9   15  -16 o   64.499   4.1091  1094.33  129.544  1420.39  283.705  1008.44  145.610   69.959   7.0217   59.040   4.2703 10.91878 8.218247 
1 1 1    9   16  -16 o   17.480   7.5386 -14.9405  138.504   0.0000   0.0000 -14.9405  138.504  ?   ?    17.480   7.5386      ?      ? 
1 1 1    9   17  -16 o  226.814   1.5171 14858.34  198.100 14934.43  292.427 14793.81  269.310  227.345   2.2271  226.282   2.0607 1.063004 3.034247 
1 1 1    9   18  -16 o  213.962   1.8877 13156.89  216.144 13432.95  388.925 13033.52  259.991  215.539   3.1243  212.385   2.1196 3.154205 3.775444 
1 1 1    9   19  -16 o   92.707   3.0051  2485.16  160.899   0.0000   0.0000  2485.16  160.899  ?   ?    92.707   3.0051      ?      ? 
1 1 1    9   20  -16 o   74.748   3.5807  1616.71  154.581   0.0000   0.0000  1616.71  154.581  ?   ?    74.748   3.5807      ?      ? 
1 1 1    9   21  -16 o  300.819   2.1555 26205.82  342.236 26254.18  408.412 26091.80  627.126  301.382   2.3464  300.255   3.6164 1.127228 4.310912 
1 1 1    9   22  -16 o   17.166   5.6477 -135.1996  114.430 -144.1209  131.798 -107.8852  230.619   13.711   6.4554   20.621   9.2690 -6.910116 11.29540 
1 1 1    9   23  -16 o  188.715   2.2165 10310.29  240.880 10208.01  353.465 10398.99  329.144  187.827   3.2584  189.604   3.0058 -1.777191 4.433028 
1 1 1    9   24  -16 o   90.352   2.3563  2361.69  119.518  2359.22  152.080  2365.67  193.281   90.313   2.9157   90.390   3.7024 -0.7771301E-01 4.712623 
1 1 1    9   25  -16 o  192.824   1.7729 10734.66  194.755 10844.48  302.004 10656.48  254.818  193.648   2.7003  192.001   2.2980 1.647751 3.545745 
1 1 1    9   26  -16 o  117.006   2.6477  4059.57  123.403  4096.94  133.246  3834.33  327.163  119.065   1.9377  114.946   4.9282 4.119553 5.295412 
1 1 1    9   27  -16 o   91.016   3.2230  2311.37  126.927  2266.71  138.616  2543.20  315.811   88.528   2.7111   93.504   5.8481 -4.976006 6.445951 
1 1 1    9   28  -16 o  137.952   2.8485  5516.55  226.926  5597.72  320.478  5434.93  321.369  138.975   3.9928  136.930   4.0637 2.044571 5.697004 
1 1 1    9   29  -16 o   24.986   10.213   72.435  233.784   0.0000   0.0000   72.435  233.784  ?   ?    24.986   10.213      ?      ? 
1 1 1    9   30  -16 o  101.250   4.1233  2974.27  241.118   0.0000   0.0000  2974.27  241.118  ?   ?   101.250   4.1233      ?      ? 
1 1 1    9   31  -16 o  141.363   2.4577  5805.58  188.383  5831.11  230.078  5753.67  328.133  141.928   2.8069  140.799   4.0352 1.128845 4.915420 
1 1 1    9   32  -16 o   89.020   3.7194  2339.82  182.382  2210.98  303.460  2412.67  228.194   86.939   6.0437   91.101   4.3371 -4.162468 7.438850 
1 1 1    9   33  -16 o   68.783   3.3675  1374.18  132.665  1416.03  202.284  1342.59  175.738   69.662   5.0278   67.904   4.4811 1.757980 6.734958 
1 1 1    9   34  -16 o   24.559   6.8466  110.041  146.489 -125.9878  281.357  197.817  171.579   22.455   10.152   26.664   9.1894 -4.209558 13.69322 
1 1 1    9   35  -16 f  150.601   2.3244  6555.38  183.388  6678.71  342.066  6505.63  217.248  151.388   3.9123  149.813   2.5108 1.574768 4.648712 
1 1 1    9   36  -16 o   65.728   4.4937  1286.43  161.843  1291.67  200.050  1276.50  275.341   66.225   5.2304   65.231   7.3085 0.9934006 8.987307 
1 1 1    9   37  -16 f  115.662   3.4565  3945.05  230.848  3970.10  330.258  3921.12  322.808  116.000   4.9296  115.323   4.8467 0.6769638 6.913072 
1 1 1    9   38  -16 o   18.325   6.2878 -422.1937  207.310 -422.3048  282.930 -422.0649  304.631   17.852   8.6755   18.798   9.1039 -0.9459629 12.57556 
1 1 1    9   39  -16 o   20.434   8.2654   75.912  151.220   0.0000   0.0000   75.912  151.220  ?   ?    20.434   8.2654      ?      ? 
1 1 1    9   40  -16 o   55.075   5.9864  926.778  190.416   0.0000   0.0000  926.778  190.416  ?   ?    55.075   5.9864      ?      ? 
1 1 1    9   41  -16 o   45.463   5.9649  671.336  137.886  713.534  259.586  654.750  162.743   44.884   10.240   46.042   6.1202 -1.157871 11.92985 
1 1 1    9   42  -16 o   52.595   4.3380  888.106  126.168  647.110  185.182  1096.89  172.364   45.057   7.1162   60.132   4.9631 -15.07506 8.675971 
1 1 1    9   43  -16 f   37.504   7.5267  451.891  153.281  356.533  176.513  744.306  309.100   31.684   9.1405   43.324   11.961 -11.63998 15.05338 
1 1 1    9   44  -16 o   29.667   7.9903  305.597  139.966   0.0000   0.0000  305.597  139.966  ?   ?    29.667   7.9903      ?      ? 
1 1 1    9   45  -16 o   66.252   4.2819  1436.25  128.693  1330.62  281.149  1464.25  144.747   62.592   7.7774   69.912   3.5849 -7.319897 8.563793 
1 1 1    9    0  -17 o  177.861   2.3953  9141.68  245.952   0.0000   0.0000  9141.68  245.952  177.861   2.3953  177.861   2.3953 -0.000000 0.000000 
1 1 1    9    1  -17 o  129.321   2.0006  4832.26  149.035  4823.45  218.643  4839.90  203.686  129.208   2.9299  129.433   2.7248 -0.2245789 4.001122 
1 1 1    9    2  -17 o  201.200   1.8123 11670.47  188.885 11640.31  222.294 11748.79  358.238  200.751   1.9173  201.649   3.0760 -0.8984375 3.624629 
1 1 1    9    3  -17 o  205.614   1.7474 12147.07  167.128 12324.38  371.653 12102.13  187.115  206.527   3.1158  204.701   1.5827 1.825806 3.494777 
1 1 1    9    4  -17 o  328.680   2.6472 31223.00  502.345 31207.28  701.449 31239.55  719.751  328.598   3.6961  328.761   3.7907 -0.1626282 5.294382 
1 1 1    9    5  -17 o  283.696   2.3773 23249.87  389.514 23249.87  389.514   0.0000   0.0000  283.696   2.3773  ?   ?       ?      ? 
1 1 1    9    6  -17 o   18.226   5.8185 -163.3839  140.823 -392.7505  214.953   9.0849  186.395   15.363   7.4874   21.089   8.9084 -5.726314 11.63702 
1 1 1    9    7  -17 o  166.096   2.0686  7902.55  164.656  7848.81  186.242  8094.90  352.353  164.841   1.9563  167.350   3.6456 -2.509048 4.137288 
1 1 1    9    8  -17 o  217.430   1.9792 13609.08  233.917 13809.41  407.993 13510.98  285.501  218.597   3.2316  216.263   2.2858 2.333694 3.958339 
1 1 1    9    9  -17 o  368.656   1.6785 39222.06  350.474 39053.58  452.817 39473.77  553.492  367.685   2.1324  369.627   2.5928 -1.941620 3.356988 
1 1 1    9   10  -17 o  100.491   2.6446  2916.03  153.134  2968.55  225.148  2870.82  208.892  101.328   3.8473   99.653   3.6295 1.675255 5.289112 
1 1 1    9   11  -17 o   94.417   2.9578  2599.54  157.442  2475.72  248.303  2682.79  203.604   92.504   4.6477   96.330   3.6597 -3.825478 5.915558 
1 1 1    9   12  -17 o  121.699   2.1783  4277.00  152.691  4329.95  225.003  4231.81  207.886  122.393   3.1831  121.005   2.9747 1.387741 4.356666 
1 1 1    9   13  -17 o  346.925   2.1000 34735.88  399.078 34947.54  683.796 34626.54  491.459  347.676   3.4054  346.173   2.4582 1.502930 4.199900 
1 1 1    9   14  -17 o   93.401   2.6694  2515.86  143.617  2618.00  212.468  2429.93  194.881   95.137   3.8668   91.664   3.6812 3.473907 5.338874 
1 1 1    9   15  -17 o   66.835   5.7143  1294.93  220.574  1294.93  220.574   0.0000   0.0000   66.835   5.7143  ?   ?       ?      ? 
1 1 1    9   16  -17 o  243.548   1.5881 17136.61  223.316 17266.10  320.243 17014.04  311.570  244.442   2.2684  242.654   2.2232 1.787552 3.176216 
1 1 1    9   17  -17 o   57.959   4.5500  932.370  139.701  872.696  164.818  1084.63  263.275   54.869   5.2010   61.048   7.4671 -6.178394 9.099933 
1 1 1    9   18  -17 o   49.297   4.0964  705.371  113.977  705.425  146.443  705.287  181.524   49.326   5.1405   49.268   6.3795 0.5812454E-01 8.192862 
1 1 1    9   19  -17 o   78.196   2.1441  1762.08   95.724  1727.98  125.643  1809.27  147.786   77.305   2.8141   79.086   3.2355 -1.780823 4.288120 
1 1 1    9   20  -17 o  150.485   2.0003  6519.73  140.955  6499.40  158.209  6597.98  310.393  149.980   1.8265  150.990   3.5594 -1.010162 4.000675 
1 1 1    9   21  -17 o  336.443   1.7913 32723.44  347.973 32628.56  486.076 32823.17  498.371  335.947   2.5052  336.939   2.5610 -0.9916382 3.582611 
1 1 1    9   22  -17 f  300.993   2.3744 26189.91  412.759   0.0000   0.0000 26189.91  412.759  ?   ?   300.993   2.3744      ?      ? 
1 1 1    9   23  -17 o  134.371   2.0280  5072.62  126.621  4974.28  141.194  5476.56  286.168  131.202   1.8633  137.539   3.6025 -6.337280 4.055904 
1 1 1    9   24  -17 o  162.341   2.5135  7620.04  235.660   0.0000   0.0000  7620.04  235.660  ?   ?   162.341   2.5135      ?      ? 
1 1 1    9   25  -17 o  110.215   1.9652  3512.72  125.078  3554.70  178.617  3472.33  175.206  110.861   2.7897  109.570   2.7687 1.290688 3.930398 
1 1 1    9   26  -17 o   38.635   5.0985  466.932  103.041  510.080  126.385  381.396  177.948   41.906   5.2220   35.364   8.7583 6.541416 10.19692 
1 1 1    9   27  -17 o  219.807   1.5691 13954.79  195.371 14034.49  308.342 13901.34  252.533  220.307   2.4234  219.307   1.9938 0.9998627 3.138140 
1 1 1    9   28  -17 o   51.907   3.7969  787.834  113.156  868.216  158.042  703.284  162.087   54.662   5.0061   49.151   5.7099 5.511013 7.593706 
1 1 1    9   29  -17 o  101.155   3.8669  2966.96  225.911   0.0000   0.0000  2966.96  225.911  ?   ?   101.155   3.8669      ?      ? 
1 1 1    9   30  -17 o  213.515   2.5100 13190.22  309.518   0.0000   0.0000 13190.22  309.518  ?   ?   213.515   2.5100      ?      ? 
1 1 1    9   31  -17 o  141.936   2.8893  5867.20  231.497  5775.83  367.018  5927.57  298.327  140.926   4.5093  142.945   3.6136 -2.019958 5.778582 
1 1 1    9   32  -17 o   36.420   6.5900  397.763  135.875  475.635  223.120  351.861  171.302   39.078   9.8804   33.762   8.7230 5.315796 13.17998 
1 1 1    9   33  -17 o  128.939   2.2914  4802.36  170.232  4459.01  231.637  5205.56  251.019  123.952   3.2357  133.926   3.2453 -9.973007 4.582776 
1 1 1    9   34  -17 o   78.291   3.2700  1792.15  147.296  1788.26  217.830  1795.42  199.935   78.171   4.8249   78.412   4.4149 -0.2408524 6.539960 
1 1 1    9   35  -17 o   52.248   6.0663  849.268  146.926  824.694  308.415  856.482  167.106   50.575   10.882   53.921   5.3659 -3.346695 12.13264 
1 1 1    9   36  -17 o   75.984   3.9785  1571.02  148.219  1990.98  320.654  1456.91  167.148   81.441   6.8172   70.527   4.1036 10.91431 7.957026 
1 1 1    9   37  -17 o  102.313   3.5725  3063.23  211.102   0.0000   0.0000  3063.23  211.102  ?   ?   102.313   3.5725      ?      ? 
1 1 1    9   38  -17 o   83.728   3.6489  2112.35  173.326  2208.75  228.316  1981.22  266.279   86.297   4.5810   81.158   5.6809 5.139023 7.297820 
1 1 1    9   39  -17 o   57.072   4.3865  990.846  143.820  1142.29  211.341  860.221  196.276   61.226   5.9767   52.918   6.4221 8.308151 8.772939 
1 1 1    9   40  -17 o   55.635   4.6426  937.130  146.903  1196.56  228.182  753.490  191.981   62.163   6.3557   49.107   6.7690 13.05556 9.285196 
1 1 1    9   41  -17 o   30.568   5.4606  326.794  109.628  123.849  170.198  470.698  143.318   22.313   8.8554   38.823   6.3918 -16.50991 10.92118 
1 1 1    9   42  -17 o   38.254   8.6985  505.935  187.835   0.0000   0.0000  505.935  187.835  ?   ?    38.254   8.6985      ?      ? 
1 1 1    9   43  -17 o   13.717   4.7320 -240.1396  116.594 -237.0421  189.961 -242.0117  147.684   14.924   7.2184   12.510   6.1205 2.413759 9.463935 
1 1 1    9   44  -17 o   75.931   3.2670  1786.67  137.784  1662.97  222.796  1863.28  175.334   73.133   5.2748   78.729   3.8561 -5.596275 6.534012 
1 1 1    9    0  -18 o  ?   ?  -766.7107  185.847 -766.7107  185.847   0.0000   0.0000  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    9    1  -18 o   50.416   4.6438  758.046  127.213  668.316  213.513  807.430  158.397   48.005   7.7011   52.827   5.1917 -4.821705 9.287680 
1 1 1    9    2  -18 o  121.434   2.4027  4354.66  142.163  4438.21  162.993  4089.00  290.642  123.949   2.2769  118.918   4.2318 5.031380 4.805452 
1 1 1    9    3  -18 o   76.232   2.8941  1719.05  120.051  1804.98  148.978  1559.93  202.740   79.029   3.2640   73.436   4.7802 5.593437 5.788274 
1 1 1    9    4  -18 o  274.274   2.0019 21733.14  295.457 21745.47  523.647 21727.38  357.861  274.301   3.3054  274.247   2.2594 0.5352783E-01 4.003818 
1 1 1    9    5  -18 f  246.495   1.8878 17554.33  249.406 17552.28  301.060 17558.81  445.289  246.498   2.1147  246.493   3.1279 0.5294800E-02 3.775687 
1 1 1    9    6  -18 o  383.816   1.7067 42599.63  370.671 42363.56  585.333 42757.69  478.943  382.909   2.6468  384.723   2.1555 -1.813751 3.413476 
1 1 1    9    7  -18 o  129.869   1.8784  4893.12  136.191  4795.23  222.151  4952.06  172.385  128.814   2.9861  130.924   2.2798 -2.110016 3.756864 
1 1 1    9    8  -18 o   73.729   3.1238  1571.14  132.926  1606.81  192.302  1538.51  183.948   74.528   4.4676   72.930   4.3672 1.598457 6.247575 
1 1 1    9    9  -18 o  281.665   1.8318 22922.57  261.596 22920.95  304.216 22927.17  512.468  281.688   1.8699  281.642   3.1505 0.4614258E-01 3.663683 
1 1 1    9   10  -18 o  121.392   2.4215  4241.66  169.306  4019.12  229.285  4508.49  251.065  117.908   3.3670  124.876   3.4812 -6.967392 4.843059 
1 1 1    9   11  -18 f   58.024   3.6693  953.354  119.712  886.857  150.637  1067.34  197.220   55.353   4.7120   60.695   5.6262 -5.341747 7.338699 
1 1 1    9   12  -18 o  150.055   1.8659  6494.21  161.510  6768.79  235.595  6250.75  221.843  153.040   2.6655  147.069   2.6118 5.970612 3.731789 
1 1 1    9   13  -18 o   11.214   3.9974 -530.1497  118.467 -591.9131  182.416 -485.0989  155.793   11.564   5.8323   10.865   5.4681 0.6995897 7.994719 
1 1 1    9   14  -18 f  200.096   1.5212 11631.91  170.098 11315.49  276.240 11825.15  215.878  197.877   2.4172  202.316   1.8475 -4.438904 3.042378 
1 1 1    9   15  -18 o  140.543   2.2305  5661.90  177.988  5453.33  229.548  5976.36  281.854  137.341   2.8939  143.745   3.3950 -6.404068 4.461068 
1 1 1    9   16  -18 o  206.428   1.7062 12281.30  187.331 12227.29  224.492 12405.13  339.949  205.718   1.8895  207.139   2.8416 -1.420990 3.412479 
1 1 1    9   17  -18 o   74.861   3.2922  1520.89  110.113  1465.72  120.851  1790.63  267.222   71.195   2.9391   78.527   5.8920 -7.332787 6.584405 
1 1 1    9   18  -18 o   70.407   3.6551  1400.85  123.258  1372.56  138.979  1505.10  266.794   68.871   3.4940   71.943   6.4210 -3.071640 7.310104 
1 1 1    9   19  -18 o   96.516   2.7442  2705.08  152.187  2611.21  224.639  2784.71  206.904   94.949   4.0965   98.083   3.6525 -3.133842 5.488332 
1 1 1    9   20  -18 o  257.489   1.5095 19125.11  220.022 19347.21  348.487 18977.89  283.722  258.709   2.3323  256.270   1.9169 2.438965 3.019016 
1 1 1    9   21  -18 o   83.895   2.7581  2043.89  132.523  2083.45  177.338  1993.85  199.435   84.833   3.6195   82.956   4.1627 1.877808 5.516201 
1 1 1    9   22  -18 o   89.838   2.8658  2239.31  120.004  2174.55  133.684  2508.02  272.316   86.717   2.6693   92.960   5.0722 -6.242966 5.731642 
1 1 1    9   23  -18 o  292.254   1.9413 24641.58  322.464 25037.12  504.773 24368.86  419.139  294.193   2.9708  290.315   2.4998 3.878143 3.882626 
1 1 1    9   24  -18 o   61.396   3.5361  1146.54  112.894  1226.64  135.980  968.875  202.527   65.087   3.6174   57.704   6.0770 7.382957 7.072183 
1 1 1    9   25  -18 o  196.669   2.0213 11071.76  191.549 11402.87  407.210 10977.68  217.064  198.443   3.5530  194.896   1.9284 3.547211 4.042607 
1 1 1    9   26  -18 o  249.944   1.9778 18070.38  280.004 18085.44  441.450 18060.25  362.182  249.987   3.0576  249.901   2.5094 0.8609009E-01 3.955506 
1 1 1    9   27  -18 o   79.814   2.9929  1856.00  130.463  1873.39  160.700  1822.37  223.444   80.424   3.4597   79.204   4.8847 1.220345 5.985825 
1 1 1    9   28  -18 o  106.224   2.4909  3260.83  152.215  3176.70  205.226  3363.70  226.935  104.718   3.3933  107.730   3.6474 -3.011681 4.981767 
1 1 1    9   29  -18 o  164.697   2.4243  7929.69  213.968  8048.71  259.317  7675.81  378.736  166.764   2.6924  162.630   4.0323 4.133820 4.848548 
1 1 1    9   30  -18 o  102.070   1.9627  3022.43  115.461  2892.46  166.339  3143.27  160.396   99.937   2.8819  104.202   2.6652 -4.264709 3.925397 
1 1 1    9   31  -18 o  121.809   3.0510  4300.70  214.641   0.0000   0.0000  4300.70  214.641  ?   ?   121.809   3.0510      ?      ? 
1 1 1    9   32  -18 o   64.687   5.0187  1242.08  180.221  1255.98  226.584  1218.13  297.343   65.396   5.9992   63.977   8.0472 1.418945 10.03730 
1 1 1    9   33  -18 o   37.163   7.1755  468.113  148.014  234.090  342.931  521.691  164.085   32.361   12.654   41.965   6.7701 -9.604351 14.35107 
1 1 1    9   34  -18 o   31.999   7.7198  303.205  179.370  412.063  231.868  140.979  283.055   35.986   10.504   28.013   11.316 7.972672 15.43957 
1 1 1    9   35  -18 o  163.340   2.6726  7797.88  250.916  7764.57  373.027  7825.40  339.092  162.926   3.9643  163.753   3.5854 -0.8273315 5.345171 
1 1 1    9   36  -18 o   18.181   5.8492 -85.2289  124.940 -38.9086  220.913 -107.0125  151.496   20.818   9.2325   15.545   7.1844 5.272675 11.69850 
1 1 1    9   37  -18 o   53.102   5.3836  843.473  165.111   0.0000   0.0000  843.473  165.111  ?   ?    53.102   5.3836      ?      ? 
1 1 1    9   38  -18 o   34.404   6.3997  385.485  122.427  428.785  218.161  365.581  147.913   35.297   10.156   33.511   7.7903 1.786106 12.79943 
1 1 1    9   39  -18 f   88.628   3.5994  2490.59  152.713  2139.00  308.851  2604.36  175.693   83.137   6.4324   94.119   3.2322 -10.98244 7.198757 
1 1 1    9   40  -18 o   68.744   4.1947  1427.93  154.032  1539.75  279.637  1379.22  184.553   69.830   6.9337   67.658   4.7230 2.172020 8.389450 
1 1 1    9   41  -18 o   55.625   5.5153  1007.78  177.072  988.152  245.289  1029.15  255.881   55.138   7.7027   56.111   7.8959 -0.9733467 11.03069 
1 1 1    9   42  -18 o   46.854   4.9554  773.610  101.948  597.181  211.307  827.138  116.391   41.084   9.1411   52.624   3.8295 -11.54009 9.910892 
1 1 1    9   43  -18 o   46.629   5.3764  753.949  132.343  626.961  214.269  832.273  168.278   41.703   9.1477   51.555   5.6516 -9.851383 10.75276 
1 1 1    9   44  -18 o   49.910   4.9420  846.468  100.555  791.076  237.726  858.539  110.971   46.335   9.2079   53.484   3.5925 -7.149200 9.883938 
1 1 1    9    0  -19 o  241.536   1.9133 16686.80  241.815 17264.17  453.786 16457.84  285.770  244.390   3.2163  238.681   2.0734 -0.000000 0.000000 
1 1 1    9    1  -19 o  131.690   2.2897  5017.77  159.212  5025.41  190.029  4999.78  291.632  131.883   2.4949  131.497   3.8400 0.3862305 4.579318 
1 1 1    9    2  -19 o  131.105   1.7465  4984.48  130.233  4858.10  201.217  5075.59  170.842  129.663   2.6870  132.547   2.2317 -2.883865 3.492913 
1 1 1    9    3  -19 o  145.452   1.6375  6118.19  132.665  6134.54  166.966  6090.18  218.493  145.726   1.9838  145.179   2.6058 0.5466461 3.275068 
1 1 1    9    4  -19 o  122.921   1.9924  4353.46  139.877  4451.72  215.510  4281.93  183.869  124.109   3.0066  121.732   2.6153 2.377388 3.984897 
1 1 1    9    5  -19 o  151.140   1.4062  6599.70  122.721  6641.17  172.213  6556.90  174.927  151.623   1.9666  150.657   2.0104 0.9663544 2.812337 
1 1 1    9    6  -19 o   78.155   2.8348  1764.00  126.786  1747.30  167.930  1786.14  193.349   77.733   3.7406   78.576   4.2605 -0.8430710 5.669555 
1 1 1    9    7  -19 o  166.977   1.6431  8051.61  158.336  7952.17  219.180  8160.14  228.984  165.901   2.2875  168.053   2.3592 -2.152512 3.286149 
1 1 1    9    8  -19 o   63.615   2.9201  1172.41  106.884  1047.56  150.116  1300.78  152.221   60.170   4.3198   67.060   3.9303 -6.890484 5.840157 
1 1 1    9    9  -19 o   88.884   2.3541  2274.41  118.223  2237.92  151.592  2331.05  188.876   87.989   2.9831   89.779   3.6426 -1.790085 4.708225 
1 1 1    9   10  -19 o   66.034   4.6383  1332.19  160.829  1446.62  195.989  1096.27  281.416   70.682   4.8011   61.386   7.9376 9.295677 9.276668 
1 1 1    9   11  -19 o  186.837   1.9556 10184.88  173.418  9923.82  371.374 10257.68  196.113  185.240   3.4713  188.434   1.8020 -3.193741 3.911162 
1 1 1    9   12  -19 o  166.767   1.8043  8053.75  162.914  8083.46  198.632  7992.67  284.765  167.263   2.0562  166.270   2.9654 0.9923401 3.608551 
1 1 1    9   13  -19 o   50.678   5.6693  777.287  157.949  900.547  214.430  631.082  233.538   55.669   6.6694   45.686   9.1696 9.983345 11.33855 
1 1 1    9   14  -19 f   63.451   4.0026  1171.38  146.138  1124.72  213.465  1212.53  200.486   62.244   5.9381   64.659   5.3687 -2.415119 8.005215 
1 1 1    9   15  -19 o  184.580   1.7086  9843.67  182.066  9971.90  262.069  9724.05  253.125  185.740   2.4430  183.421   2.3895 2.319046 3.417294 
1 1 1    9   16  -19 o   16.766   5.5613 -203.9797  136.347 -252.3435  188.906 -151.3846  196.997   15.654   7.4732   17.878   8.2380 -2.224220 11.12267 
1 1 1    9   17  -19 o  126.190   1.9522  4604.11  142.248  4625.81  203.477  4583.37  198.939  126.479   2.7856  125.900   2.7359 0.5784912 3.904452 
1 1 1    9   18  -19 o  162.410   2.3555  7625.70  220.378  7539.75  300.339  7725.96  324.370  161.430   3.2214  163.390   3.4374 -1.959579 4.710944 
1 1 1    9   19  -19 o  141.289   2.5199  5764.47  205.353  5499.58  281.775  6064.54  299.898  137.838   3.5396  144.740   3.5876 -6.902130 5.039749 
1 1 1    9   20  -19 o  135.015   2.2307  5269.16  173.945  5269.16  173.945   0.0000   0.0000  135.015   2.2307  ?   ?       ?      ? 
1 1 1    9   21  -19 f  225.778   1.9910 14710.74  238.461 14826.21  434.469 14660.97  285.268  226.342   3.3236  225.215   2.1932 1.126404 3.981999 
1 1 1    9   22  -19 o   34.076   7.4404  331.660  154.163  307.985  188.376  379.673  268.263   32.112   9.4944   36.040   11.458 -3.928223 14.88088 
1 1 1    9   23  -19 o  129.826   2.0688  4888.90  154.625  5083.16  213.117  4672.99  224.686  132.568   2.7835  127.085   3.0612 5.482712 4.137545 
1 1 1    9   24  -19 o  193.217   1.5346 10798.07  159.894 10809.25  194.100 10774.45  282.041  193.408   1.7377  193.025   2.5300 0.3834686 3.069221 
1 1 1    9   25  -19 o  165.662   2.0325  7932.77  194.467  7932.77  194.467   0.0000   0.0000  165.662   2.0325  ?   ?       ?      ? 
1 1 1    9   26  -19 o   73.956   4.4685  1682.94  153.633  1750.01  174.117  1447.16  326.470   77.698   3.8801   70.214   8.0507 7.484245 8.936982 
1 1 1    9   27  -19 o  105.733   3.1409  3174.76  155.471  3369.37  346.151  3125.58  174.009  107.552   5.5727  103.915   2.8994 3.637100 6.281803 
1 1 1    9   28  -19 o  102.693   2.8753  3109.61  153.167  3174.63  181.581  2949.25  285.178  104.703   3.0028  100.683   4.9043 4.019852 5.750518 
1 1 1    9   29  -19 o  191.062   1.6804 10612.10  180.325 10345.74  289.234 10781.47  230.637  189.046   2.6491  193.079   2.0683 -4.032776 3.360868 
1 1 1    9   30  -19 o   37.679   6.7766  502.888  151.055  614.349  173.421  152.437  307.506   45.728   6.5666   29.631   11.856 16.09634 13.55317 
1 1 1    9   31  -19 o  120.676   3.5964  4245.77  248.743  4343.50  377.547  4170.82  330.650  121.818   5.3663  119.535   4.7895 2.282761 7.192809 
1 1 1    9   32  -19 o   35.637   8.8456  345.593  226.765  225.574  297.760  511.325  349.900   30.953   11.875   40.321   13.113 -9.368282 17.69116 
1 1 1    9   33  -19 o   31.444   8.2691  244.937  193.214  348.128  327.748  189.972  239.199   34.828   12.634   28.060   10.673 6.767609 16.53823 
1 1 1    9   34  -19 o  115.413   3.4051  3882.54  226.971   0.0000   0.0000  3882.54  226.971  ?   ?   115.413   3.4051      ?      ? 
1 1 1    9   35  -19 o   20.635   6.5613 -104.6117  132.633  109.725  290.564 -161.0257  149.069   26.949   11.236   14.321   6.7796 12.62790 13.12257 
1 1 1    9   36  -19 o  179.597   2.1904  9429.15  220.994  9389.64  355.987  9453.92  281.889  179.050   3.4425  180.144   2.7094 -1.094025 4.380830 
1 1 1    9   37  -19 o   65.378   3.5417  1246.07  130.852  1439.12  213.059  1129.16  165.807   69.185   5.3321   61.570   4.6628 7.614880 7.083343 
1 1 1    9   38  -19 o   68.431   4.7998  1505.49  168.455  1335.53  309.015  1577.36  200.938   64.351   8.3145   72.510   4.7982 -8.159042 9.599672 
1 1 1    9   39  -19 o   49.379   4.3878  766.013  122.745  681.526  185.120  832.299  163.972   46.523   6.8898   52.236   5.4352 -5.713764 8.775524 
1 1 1    9   40  -19 o   43.321   5.3646  605.329  130.837  686.331  198.818  543.457  173.764   46.158   7.4580   40.484   7.7134 5.674046 10.72928 
1 1 1    9   41  -19 f   51.049   6.6734  922.181  162.219  883.764  327.446  934.676  186.745   47.339   11.970   54.759   5.9048 -7.420433 13.34682 
1 1 1    9   42  -19 o   38.582   5.3502  494.144  112.677  550.110  181.467  459.029  143.744   39.930   8.1448   37.234   6.9397 2.696114 10.70034 
1 1 1    9   43  -19 o   34.010   6.5225  422.288  137.300  269.081  184.658  611.707  205.326   26.995   9.5187   41.025   8.9200 -14.03003 13.04506 
1 1 1    9    0  -20 o  306.692   1.6504 27169.79  291.958 27269.65  423.656 27079.48  402.907  307.225   2.3880  306.158   2.2789 -0.000000 0.000000 
1 1 1    9    1  -20 o   64.615   4.5987  1280.94  133.093  1325.91  148.814  1101.19  297.508   67.708   3.8056   61.521   8.3732 6.187233 9.197432 
1 1 1    9    2  -20 o  306.150   1.4964 26992.51  258.047 26693.92  329.379 27467.03  415.218  303.980   1.8761  308.319   2.3318 -4.338440 2.992851 
1 1 1    9    3  -20 o  222.265   1.7501 14339.44  197.890 14411.37  230.857 14140.13  384.258  223.356   1.7896  221.173   3.0082 2.183136 3.500271 
1 1 1    9    4  -20 o  209.082   1.5292 12630.11  184.654 12580.74  260.320 12680.10  261.967  208.671   2.1600  209.493   2.1652 -0.8220978 3.058389 
1 1 1    9    5  -20 o   99.220   3.0263  2778.17  162.397  2656.06  195.664  3048.53  291.141   95.836   3.5351  102.604   4.9131 -6.767967 6.052682 
1 1 1    9    6  -20 o  142.715   1.4117  5884.29  114.465  5883.95  149.047  5884.78  178.719  142.716   1.8083  142.714   2.1683 0.2166748E-02 2.823370 
1 1 1    9    7  -20 o  151.349   1.7999  6636.39  155.917  6747.98  208.036  6493.37  235.511  152.813   2.3572  149.886   2.7206 2.927612 3.599720 
1 1 1    9    8  -20 o  277.195   2.0033 22175.25  300.071 22109.60  364.593 22313.08  528.294  276.610   2.2822  277.780   3.2930 -1.169891 4.006522 
1 1 1    9    9  -20 o  125.655   1.9329  4586.48  134.841  4647.15  169.424  4481.64  222.710  126.812   2.3133  124.498   3.0974 2.314011 3.865875 
1 1 1    9   10  -20 o   77.684   3.6858  1708.66  144.434  1833.24  289.881  1667.52  166.584   79.455   6.3170   75.914   3.7995 3.541428 7.371645 
1 1 1    9   11  -20 o  114.884   1.7649  3816.98  117.012  3881.45  163.169  3748.72  167.893  115.886   2.4379  113.882   2.5527 2.003593 3.529813 
1 1 1    9   12  -20 o  200.463   1.6834 11614.59  194.893 11610.73  274.622 11618.50  276.631  200.430   2.3724  200.496   2.3890 -0.6585693E-01 3.366814 
1 1 1    9   13  -20 f  118.470   2.7419  4031.91  175.344  4149.82  311.008  3976.97  212.302  119.680   4.4995  117.260   3.1349 2.419823 5.483867 
1 1 1    9   14  -20 o  229.305   1.8381 15067.29  204.402 15448.87  430.182 14956.02  232.300  231.093   3.2231  227.518   1.7679 3.575348 3.676144 
1 1 1    9   15  -20 o   75.720   3.2694  1671.40  140.910  1602.83  216.107  1722.11  185.851   74.334   5.0338   77.105   4.1735 -2.770325 6.538868 
1 1 1    9   16  -20 o  163.347   1.8105  7714.89  170.553  7705.67  247.880  7723.19  235.030  163.249   2.6291  163.445   2.4898 -0.1962738 3.620941 
1 1 1    9   17  -20 o   58.469   3.7264  1036.16  115.317  1114.42  140.873  877.223  200.765   62.031   3.9322   54.907   6.3310 7.123665 7.452758 
1 1 1    9   18  -20 o  102.718   2.3641  3054.24  139.795  3043.62  205.978  3063.31  190.346  102.544   3.4780  102.893   3.2031 -0.3494720 4.728231 
1 1 1    9   19  -20 o  201.373   1.7182 11726.54  199.641 11653.32  288.124 11794.15  276.883  200.763   2.4849  201.983   2.3735 -1.220154 3.436338 
1 1 1    9   20  -20 o  207.846   1.5967 12416.80  187.003 12806.10  301.494 12173.38  238.402  210.458   2.4804  205.236   2.0113 5.221848 3.193405 
1 1 1    9   21  -20 o  176.609   1.9876  8888.81  180.135  8736.71  210.064  9311.42  350.154  173.861   2.0920  179.358   3.3803 -5.497589 3.975277 
1 1 1    9   22  -20 o  146.731   2.4582  6263.72  202.550  6367.58  259.058  6100.36  324.892  148.349   3.0236  145.112   3.8766 3.237350 4.916326 
1 1 1    9   23  -20 o   69.313   4.1948  1495.51  135.084  1571.81  153.547  1234.22  284.134   73.669   3.6089   64.956   7.5738 8.712555 8.389701 
1 1 1    9   24  -20 o  183.545   1.6137  9780.78  168.036  9963.98  219.204  9519.71  261.676  185.661   2.0443  181.429   2.4973 4.231277 3.227328 
1 1 1    9   25  -20 o   81.319   3.0946  1921.59  143.860  1901.48  219.036  1936.84  190.777   80.914   4.6871   81.723   4.0420 -0.8087540 6.189253 
1 1 1    9   26  -20 o  171.920   1.7657  8530.25  173.289  8421.07  227.667  8680.62  267.186  170.637   2.3101  173.202   2.6710 -2.565094 3.531437 
1 1 1    9   27  -20 o   19.914   9.5535 -568.8400  139.436 -600.7282  155.262 -435.9051  317.007  ?   ?    19.914   9.5535      ?      ? 
1 1 1    9   28  -20 o   9.8762   4.9877 -450.4763  135.994 -450.4763  135.994   0.0000   0.0000   9.8762   4.9877  ?   ?       ?      ? 
1 1 1    9   29  -20 o   85.917   2.7103  2148.62  132.240  2121.39  206.033  2167.69  172.448   85.404   4.1771   86.429   3.4547 -1.024246 5.420603 
1 1 1    9   30  -20 o   45.317   5.0680  688.581  115.226  842.696  144.931  423.803  189.968   53.741   4.6695   36.894   8.9963 16.84683 10.13601 
1 1 1    9   31  -20 o   51.706   8.1038  849.852  234.887  945.029  351.487  773.049  315.741   54.313   11.560   49.098   11.360 5.214581 16.20764 
1 1 1    9   32  -20 o   41.744   6.4212  541.355  149.553  623.754  228.096  479.223  198.069   44.513   9.1774   38.975   8.9835 5.538643 12.84243 
1 1 1    9   33  -20 o   98.613   3.4878  3006.36  153.109  2635.03  345.291  3097.24  170.821   94.003   6.3600  103.223   2.8654 -9.220039 6.975675 
1 1 1    9   34  -20 o   34.391   8.1249  324.222  178.930  567.770  329.507  222.374  213.083   40.761   12.663   28.021   10.183 12.73974 16.24983 
1 1 1    9   35  -20 o  130.688   2.3246  4963.66  175.453   0.0000   0.0000  4963.66  175.453  ?   ?   130.688   2.3246      ?      ? 
1 1 1    9   36  -20 o   21.554   8.7010   90.607  167.223   0.0000   0.0000   90.607  167.223  ?   ?    21.554   8.7010      ?      ? 
1 1 1    9   37  -20 o   32.377   7.4611  234.581  139.245  675.754  315.821  128.127  155.137   42.476   12.219   22.279   8.5660 20.19687 14.92214 
1 1 1    9   38  -20 f   35.682   7.2253  466.059  143.874  390.866  317.039  485.561  161.456   32.852   12.334   38.511   7.5289 -5.659622 14.45053 
1 1 1    9   39  -20 o   31.326   7.0255  349.252  143.350  308.375  201.239  391.361  204.248   29.633   9.9561   33.018   9.9150 -3.385050 14.05105 
1 1 1    9   40  -20 o   75.037   3.8149  1678.86  165.325   0.0000   0.0000  1678.86  165.325  ?   ?    75.037   3.8149      ?      ? 
1 1 1    9   41  -20 f   24.868   7.3838  156.761  182.483  229.103  226.281   22.204  308.608   26.353   10.286   23.383   10.596 2.969969 14.76752 
1 1 1    9   42  -20 o   55.251   4.4508  994.636  133.099  927.628  225.477  1030.47  164.892   52.731   7.4038   57.771   4.9420 -5.040718 8.901629 
1 1 1    9    0  -21 o  153.760   2.2717  6784.25  187.637  6688.27  226.396  6994.83  335.340  152.089   2.5791  155.431   3.7405 -0.000000 0.000000 
1 1 1    9    1  -21 o  125.138   2.5094  4540.42  153.500  4550.10  175.464  4508.89  316.862  125.478   2.4212  124.799   4.3962 0.6787949 5.018830 
1 1 1    9    2  -21 o  200.351   1.6455 11599.81  190.406 11561.73  269.368 11637.84  269.181  200.023   2.3317  200.680   2.3225 -0.6578522 3.291053 
1 1 1    9    3  -21 o   44.895   6.2656  720.670  114.836  777.893  125.345  421.700  286.507   51.841   4.1865   37.950   11.811 13.89190 12.53118 
1 1 1    9    4  -21 o   80.666   3.4435  1819.04  131.625  1771.95  147.602  2001.94  290.878   78.277   3.2649   83.056   6.0639 -4.778557 6.887028 
1 1 1    9    5  -21 o  296.724   1.8913 25287.95  281.509 25124.73  325.036 25777.92  563.139  294.892   1.9085  298.556   3.2659 -3.663788 3.782640 
1 1 1    9    6  -21 o  291.628   1.4939 24610.35  245.356 24412.99  392.498 24736.94  314.344  290.646   2.3382  292.610   1.8601 -1.963745 2.987849 
1 1 1    9    7  -21 o  214.730   1.5921 13323.91  197.309 13350.53  284.614 13299.28  273.776  214.934   2.2928  214.527   2.2097 0.4071045 3.184277 
1 1 1    9    8  -21 o  121.363   2.3596  4348.50  149.951  4049.24  273.671  4476.89  179.254  118.272   4.0065  124.453   2.4939 -6.181290 4.719255 
1 1 1    9    9  -21 o  224.385   1.5379 14574.74  193.572 14654.47  246.376 14446.14  312.899  225.209   1.8942  223.562   2.4234 1.646622 3.075841 
1 1 1    9   10  -21 o  311.505   2.0542 28019.32  350.609 27932.45  431.904 28187.21  600.390  310.865   2.4056  312.145   3.3304 -1.279572 4.108336 
1 1 1    9   11  -21 o  139.127   1.6489  5590.47  132.431  5464.45  183.813  5726.49  190.963  137.499   2.3147  140.755   2.3491 -3.256256 3.297881 
1 1 1    9   12  -21 o  204.592   1.8766 12094.82  221.743 12094.82  221.743   0.0000   0.0000  204.592   1.8766  ?   ?       ?      ? 
1 1 1    9   13  -21 o   81.735   3.5272  1933.52  166.504   0.0000   0.0000  1933.52  166.504  ?   ?    81.735   3.5272      ?      ? 
1 1 1    9   14  -21 o   76.693   3.9784  1715.85  141.526  1696.06  313.458  1720.92  158.613   76.280   7.1152   77.107   3.5617 -0.8268967 7.956864 
1 1 1    9   15  -21 o   67.003   3.4960  1289.25  129.235  1346.74  219.974  1258.95  159.702   68.088   5.5939   65.917   4.1949 2.170975 6.992072 
1 1 1    9   16  -21 o   58.173   4.1260  974.698  134.031  1018.53  221.837  949.497  168.202   59.148   6.4939   57.198   5.0917 1.950329 8.252090 
1 1 1    9   17  -21 o  174.241   2.1093  8729.17  200.277  8623.75  244.771  8942.71  348.362  172.708   2.4539  175.774   3.4316 -3.065781 4.218688 
1 1 1    9   18  -21 o  123.919   2.5271  4467.04  155.672  4487.93  179.455  4403.54  312.918  124.588   2.4940  123.251   4.3960 1.337364 5.054172 
1 1 1    9   19  -21 o   56.936   4.0406  924.257  129.788  1024.78  211.403  863.447  164.423   59.342   6.1683   54.530   5.2209 4.811512 8.081177 
1 1 1    9   20  -21 o   28.804   6.5538  256.124  116.870  303.798  128.444   26.784  281.715   31.645   7.1912   25.964   10.959 5.680916 13.10754 
1 1 1    9   21  -21 o   34.217   8.0380  337.700  186.926  406.607  232.613  212.086  314.067   36.625   10.471   31.809   12.198 4.816433 16.07605 
1 1 1    9   22  -21 f   83.257   4.0494  2009.34  194.712  2009.34  194.712   0.0000   0.0000   83.257   4.0494  ?   ?       ?      ? 
1 1 1    9   23  -21 o   99.109   3.3640  2842.78  153.455  2868.80  345.207  2836.38  171.312   99.222   6.0240   98.996   2.9963 0.2265778 6.728015 
1 1 1    9   24  -21 o   61.955   4.1476  1117.84  147.988  1236.67  212.889  1006.73  205.861   65.159   5.6571   58.752   6.0669 6.406868 8.295186 
1 1 1    9   25  -21 o  125.036   2.8805  4544.24  177.442  4522.73  362.113  4551.04  203.555  124.680   5.0288  125.392   2.8108 -0.7116776 5.761012 
1 1 1    9   26  -21 f  142.133   2.3226  5856.28  190.578  5781.77  272.477  5927.64  266.653  141.239   3.3403  143.027   3.2281 -1.787857 4.645243 
1 1 1    9   27  -21 o   20.381   6.5450 -98.3228  157.551 -18.0418  182.725 -330.9557  311.047   19.902   8.6209   20.860   9.8504 -0.9581528 13.09008 
1 1 1    9   28  -21 o  145.735   2.2322  6146.91  163.033  6134.63  188.397  6183.52  325.328  145.598   2.2404  145.872   3.8616 -0.2738495 4.464461 
1 1 1    9   29  -21 f  169.138   2.5521  8269.56  226.161  8420.44  421.742  8208.67  267.945  169.990   4.2957  168.286   2.7569 1.704773 5.104263 
1 1 1    9   30  -21 o   41.162   6.7165  646.166  118.675  697.928  126.881  284.368  335.449   48.876   4.4948   33.447   12.659 15.42990 13.43298 
1 1 1    9   31  -21 o  119.303   2.5431  4052.57  158.958  3928.66  187.330  4371.25  300.415  116.329   2.7883  122.277   4.2539 -5.947922 5.086285 
1 1 1    9   32  -21 o   26.308   7.2838  140.121  161.618  224.178  243.206   73.646  216.280   29.025   10.821   23.590   9.7525 5.434950 14.56764 
1 1 1    9   33  -21 f  110.533   3.3242  3693.81  193.942  3374.26  346.082  3840.11  234.166  106.451   5.6292  114.614   3.5375 -8.163292 6.648429 
1 1 1    9   34  -21 o  106.887   2.7715  3355.62  170.681  3413.75  251.079  3305.67  232.724  107.689   4.0370  106.086   3.7984 1.602684 5.542982 
1 1 1    9   35  -21 o   30.247   6.9671  321.081  149.764   43.875  303.105  410.614  172.260   25.204   11.008   35.291   8.5432 -10.08678 13.93426 
1 1 1    9   36  -21 o  124.265   2.5820  4508.27  185.303   0.0000   0.0000  4508.27  185.303  ?   ?   124.265   2.5820      ?      ? 
1 1 1    9   37  -21 o   52.568   4.6933  830.757  142.490   0.0000   0.0000  830.757  142.490  ?   ?    52.568   4.6933      ?      ? 
1 1 1    9   38  -21 o   47.931   6.1839  753.797  128.135  806.263  300.979  742.183  141.609   46.389   11.331   49.473   4.9561 -3.084118 12.36783 
1 1 1    9   39  -21 o   59.542   5.2013  1173.81  172.412  978.577  264.057  1318.89  227.633   54.096   8.4518   64.989   6.0647 -10.89351 10.40261 
1 1 1    9   40  -21 f   23.313   7.4168   34.928  208.685 -89.0312  349.952  103.334  259.965   22.868   10.687   23.758   10.287 -0.8907356 14.83367 
1 1 1    9   41  -21 o   43.767   6.2843  687.972  155.045  747.360  210.074  616.918  229.783   47.132   7.7174   40.403   9.9202 6.729359 12.56856 
1 1 1    9    0  -22 o   22.545   8.9237  200.641  172.689  173.982  279.844  217.036  219.457   22.308   13.036   22.782   12.190 -0.000000 0.000000 
1 1 1    9    1  -22 o   10.939   5.5461 -578.5964  107.164 -539.8991  133.953 -647.3992  178.613  ?   ?    10.939   5.5461      ?      ? 
1 1 1    9    2  -22 o   81.666   2.3592  1939.37  110.678  2073.37  152.523  1790.33  160.853   84.670   3.1190   78.662   3.5406 6.008316 4.718489 
1 1 1    9    3  -22 o   49.251   5.2886  619.044  138.445  498.372  161.626  951.554  268.293   41.394   6.7606   57.107   8.1346 -15.71237 10.57718 
1 1 1    9    4  -22 o  119.850   2.6909  4296.37  145.389  3936.38  328.109  4384.32  162.180  116.533   4.8751  123.167   2.2799 -6.633972 5.381899 
1 1 1    9    5  -22 o   80.242   2.3823  1861.47  109.748  1874.57  164.697  1851.01  147.189   80.488   3.5430   79.996   3.1858 0.4916458 4.764679 
1 1 1    9    6  -22 o  115.657   2.6338  3865.74  168.424  3851.31  209.630  3892.02  282.881  115.391   3.1456  115.923   4.2252 -0.5319519 5.267550 
1 1 1    9    7  -22 o  138.858   2.2638  5510.31  161.137  5433.33  187.935  5723.98  313.111  137.103   2.3734  140.613   3.8556 -3.509567 4.527518 
1 1 1    9    8  -22 o  179.800   1.4748  9346.08  152.530  9382.82  206.853  9302.29  225.812  180.194   1.9876  179.407   2.1793 0.7873535 2.949606 
1 1 1    9    9  -22 o  358.668   1.7955 37190.28  371.924 37040.84  524.427 37341.51  527.549  357.944   2.5368  359.393   2.5416 -1.449066 3.590967 
1 1 1    9   10  -22 o   71.288   4.6933  1493.84  189.006  1556.49  246.172  1403.87  294.994   73.192   5.8236   69.384   7.3615 3.807800 9.386515 
1 1 1    9   11  -22 o  102.170   2.7502  2980.81  157.827  2851.41  199.139  3199.40  258.815   99.258   3.4738  105.081   4.2646 -5.822968 5.500378 
1 1 1    9   12  -22 f   99.624   3.0783  2825.33  149.625  2782.15  170.189  2972.33  314.004   98.071   3.0047  101.178   5.3736 -3.106750 6.156605 
1 1 1    9   13  -22 o  150.053   1.9112  6504.27  165.465  6655.78  240.475  6368.04  228.028  151.708   2.7446  148.398   2.6606 3.309113 3.822482 
1 1 1    9   14  -22 f  101.936   2.2727  2989.31  131.764  2910.77  170.987  3104.14  206.753  100.313   2.9513  103.559   3.4568 -3.245758 4.545346 
1 1 1    9   15  -22 o   99.977   3.1044  2755.51  145.794  3145.20  328.747  2660.11  162.665  104.057   5.4702   95.897   2.9370 8.160110 6.208832 
1 1 1    9   16  -22 f  177.775   1.7082  9137.92  175.145  9117.90  254.282  9155.99  241.589  177.584   2.4793  177.965   2.3505 -0.3816071 3.416373 
1 1 1    9   17  -22 o  110.837   2.1888  3571.24  134.302  3494.98  223.340  3614.43  168.088  109.874   3.5195  111.800   2.6032 -1.925613 4.377651 
1 1 1    9   18  -22 o  186.089   1.6852  9922.95  174.576  9687.78  218.192 10341.34  291.026  183.080   2.0635  189.098   2.6648 -6.018265 3.370340 
1 1 1    9   19  -22 o   42.491   5.6964  504.462  134.163  789.556  218.062  330.811  170.186   51.990   7.2623   32.991   8.7780 18.99889 11.39274 
1 1 1    9   20  -22 o  182.848   2.6272  9680.06  276.761  9759.53  406.552  9611.43  377.824  183.528   3.8355  182.168   3.5911 1.359970 5.254300 
1 1 1    9   21  -22 o   73.003   3.6635  1549.78  154.232  1562.57  212.901  1535.66  223.737   73.334   5.0267   72.672   5.3307 0.6621246 7.326985 
1 1 1    9   22  -22 o  208.784   1.8120 12598.67  218.496 12598.67  218.496   0.0000   0.0000  208.784   1.8120  ?   ?       ?      ? 
1 1 1    9   23  -22 o  143.790   2.1784  5978.70  179.210  6044.50  273.436  5929.15  237.277  144.458   3.2774  143.123   2.8705 1.334274 4.356741 
1 1 1    9   24  -22 o  155.636   2.5170  7001.03  206.826  7075.49  380.096  6969.71  246.517  156.099   4.2161  155.173   2.7507 0.9253235 5.034049 
1 1 1    9   25  -22 o   13.211   6.6369 -781.8428  164.935 -922.1915  243.467 -662.8021  224.225  ?   ?    13.211   6.6369      ?      ? 
1 1 1    9   26  -22 o  159.202   2.9768  7367.88  273.653  7294.68  382.461  7444.67  391.714  158.399   4.1807  160.004   4.2389 -1.604965 5.953691 
1 1 1    9   27  -22 o   78.905   3.0866  1826.30  137.975  1886.68  180.242  1740.84  214.434   80.562   3.8738   77.247   4.8064 3.314339 6.173211 
1 1 1    9   28  -22 o   79.277   3.1464  1759.23  137.313  1605.17  167.283  2077.43  240.412   74.265   3.9001   84.289   4.9385 -10.02399 6.292862 
1 1 1    9   29  -22 o   81.304   3.3731  1921.97  158.388  1921.97  158.388   0.0000   0.0000   81.304   3.3731  ?   ?       ?      ? 
1 1 1    9   30  -22 o  135.914   1.9784  5363.25  153.292  5359.47  201.274  5368.47  236.546  135.917   2.5641  135.911   3.0135 0.6179810E-02 3.956751 
1 1 1    9   31  -22 o   35.761   5.7896  447.650  121.993  587.043  152.223  197.403  203.959   44.436   5.9315   27.087   9.9446 17.34822 11.57922 
1 1 1    9   32  -22 o  142.678   2.1239  5937.59  174.822  5657.27  248.382  6212.79  246.104  139.301   3.0873  146.055   2.9175 -6.753494 4.247771 
1 1 1    9   33  -22 o   65.788   3.9742  1308.27  149.392  1200.30  221.858  1397.84  202.070   63.074   6.0904   68.503   5.1075 -5.429855 7.948489 
1 1 1    9   34  -22 o   33.729   7.7909  363.134  160.026  466.549  309.217  325.305  187.018   36.241   12.341   31.218   9.5132 5.023396 15.58175 
1 1 1    9   35  -22 o   65.131   4.9576  1254.46  178.929  1586.43  310.533  1089.46  218.925   70.811   7.5931   59.451   6.3760 11.36024 9.915100 
1 1 1    9   36  -22 o   72.924   4.3504  1589.83  183.225   0.0000   0.0000  1589.83  183.225  ?   ?    72.924   4.3504      ?      ? 
1 1 1    9   37  -22 o   14.892   5.1454 -313.7107  145.083 -421.9305  231.484 -243.6972  186.191   14.986   7.3966   14.798   7.1548 0.1879206 10.29079 
1 1 1    9   38  -22 o   53.096   6.3077  936.847  159.656  1012.24  325.517  912.966  183.205   51.972   11.177   54.221   5.8504 -2.249081 12.61536 
1 1 1    9   39  -22 o   22.376   6.4718  123.231  132.428   43.633  229.205  163.116  162.249   21.587   9.4965   23.165   8.7950 -1.578762 12.94352 
1 1 1    9   40  -22 o   25.423   8.4534  225.880  145.114   0.0000   0.0000  225.880  145.114  ?   ?    25.423   8.4534      ?      ? 
1 1 1    9   41  -22 o   47.271   6.5526  961.212  134.462  605.272  308.867  1044.44  149.357   36.173   12.334   58.369   4.4306 -22.19564 13.10520 
1 1 1    9    0  -23 o  142.078   2.0000  5839.30  163.936  5796.48  229.300  5884.08  234.469  141.546   2.8074  142.609   2.8493 -0.000000 0.000000 
1 1 1    9    1  -23 o  156.790   1.6464  7130.04  147.678  6918.13  222.957  7295.69  197.118  154.696   2.4955  158.883   2.1481 -4.187775 3.292727 
1 1 1    9    2  -23 o  203.395   1.3352 11949.06  156.655 12049.07  227.638 11859.09  215.915  204.200   1.9302  202.590   1.8454 1.610428 2.670400 
1 1 1    9    3  -23 o   72.010   2.7038  1492.87  109.408  1465.65  138.872  1537.41  177.642   71.170   3.3786   72.850   4.2221 -1.680038 5.407514 
1 1 1    9    4  -23 o  155.447   2.3064  7010.93  174.753  6954.18  362.088  7028.16  199.529  154.955   4.0460  155.938   2.2155 -0.9825134 4.612833 
1 1 1    9    5  -23 o   97.276   2.7712  2749.99  153.645  2677.30  235.569  2803.80  202.692   96.131   4.2430   98.422   3.5658 -2.291939 5.542368 
1 1 1    9    6  -23 o   68.242   3.0028  1349.26  118.326  1382.80  167.870  1316.14  166.812   69.087   4.2072   67.397   4.2855 1.689903 6.005512 
1 1 1    9    7  -23 o  220.537   1.4490 14077.33  174.237 13990.66  300.482 14121.23  213.863  219.996   2.3649  221.078   1.6750 -1.081558 2.897996 
1 1 1    9    8  -23 o  217.790   1.8916 13706.51  237.929 13706.51  237.929   0.0000   0.0000  217.790   1.8916  ?   ?       ?      ? 
1 1 1    9    9  -23 o  167.762   2.7341  8138.89  264.909  8138.89  264.909   0.0000   0.0000  167.762   2.7341  ?   ?       ?      ? 
1 1 1    9   10  -23 o   41.944   5.6787  558.749  127.571  648.015  161.289  409.592  208.489   47.212   5.9152   36.677   9.6954 10.53531 11.35739 
1 1 1    9   11  -23 o   92.897   2.2125  2523.07  115.037  2610.15  147.095  2385.95  184.589   95.006   2.6808   90.788   3.5204 4.217873 4.424906 
1 1 1    9   12  -23 f   75.285   3.5243  1640.47  152.492  1878.26  221.601  1426.58  210.166   80.470   4.7682   70.101   5.1910 10.36887 7.048585 
1 1 1    9   13  -23 o  133.404   2.4866  4999.32  162.814  5443.14  341.579  4868.84  185.207  137.040   4.3158  129.769   2.4712 7.270294 4.973191 
1 1 1    9   14  -23 o  112.221   2.6322  3645.27  170.527  3698.13  245.432  3595.94  237.107  113.004   3.7605  111.438   3.6840 1.565926 5.264382 
1 1 1    9   15  -23 o  186.060   1.6523 10031.40  170.696 10093.69  214.122  9922.79  282.736  186.884   1.9838  185.237   2.6428 1.646973 3.304559 
1 1 1    9   16  -23 o  134.285   2.1176  5221.55  163.236  5257.76  219.520  5176.76  244.138  134.821   2.8192  133.749   3.1605 1.071396 4.235211 
1 1 1    9   17  -23 o  177.812   1.7247  9145.17  172.165  9155.17  219.173  9129.05  278.208  177.967   2.1324  177.658   2.7114 0.3087463 3.449481 
1 1 1    9   18  -23 o   91.280   2.6947  2411.11  140.132  2432.30  217.209  2396.01  183.404   91.599   4.1058   90.962   3.4911 0.6371002 5.389428 
1 1 1    9   19  -23 o  204.106   1.5805 11998.99  180.105 11868.69  226.700 12221.97  296.560  202.640   1.9370  205.572   2.4978 -2.931778 3.160904 
1 1 1    9   20  -23 o  103.905   3.3231  3166.30  191.767  3253.57  242.094  3019.31  314.182  105.931   3.9571  101.878   5.3397 4.053406 6.646113 
1 1 1    9   21  -23 o   53.076   6.0660  861.793  167.224  895.580  203.853  792.282  292.394   55.377   6.3738   50.774   10.323 4.603092 12.13193 
1 1 1    9   22  -23 o   71.403   2.9089  1479.62  119.621  1482.26  175.965  1477.36  163.105   71.449   4.2643   71.357   3.9577 0.9120178E-01 5.817869 
1 1 1    9   23  -23 o  105.704   2.4065  3324.03  138.410  3516.95  172.207  2971.98  232.629  110.225   2.7051  101.183   3.9808 9.042015 4.812963 
1 1 1    9   24  -23 o  116.249   1.9248  3906.97  127.000  3880.48  164.738  3945.78  199.394  115.792   2.4634  116.705   2.9583 -0.9126129 3.849611 
1 1 1    9   25  -23 o  126.032   2.4856  4580.59  163.682  4540.88  193.488  4680.52  306.950  125.213   2.6756  126.852   4.1897 -1.638664 4.971171 
1 1 1    9   26  -23 o   61.501   5.1310  1108.07  172.088  1154.26  299.377  1085.27  210.305   62.211   8.3323   60.792   5.9899 1.419533 10.26191 
1 1 1    9   27  -23 o   45.521   6.9674  685.510  151.402  550.582  328.284  721.962  170.632   41.520   12.593   49.522   5.9659 -8.002560 13.93482 
1 1 1    9   28  -23 o   41.207   6.7061  532.109  158.307  702.925  232.186  383.722  216.406   47.530   8.7817   34.884   10.137 12.64644 13.41215 
1 1 1    9   29  -23 o  184.896   2.4861  9983.87  264.330 10213.32  360.012  9715.49  389.347  187.293   3.3282  182.498   3.6940 4.794693 4.972157 
1 1 1    9   30  -23 o   45.683   6.4504  725.508  147.333  509.004  278.953  809.269  173.507   39.182   11.545   52.183   5.7571 -13.00132 12.90076 
1 1 1    9   31  -23 o  110.526   2.1837  3548.66  134.420  3509.88  168.663  3616.19  222.542  109.842   2.6587  111.209   3.4649 -1.366837 4.367355 
1 1 1    9   32  -23 o  103.262   2.2743  3127.85  130.141  3151.44  162.990  3086.37  216.162  103.990   2.7138  102.534   3.6503 1.455826 4.548557 
1 1 1    9   33  -23 o   67.992   3.8171  1383.80  149.289  1482.34  223.672  1304.63  200.479   70.096   5.5250   65.888   5.2684 4.207726 7.634199 
1 1 1    9   34  -23 f   59.413   5.8745  1229.24  168.067  936.892  304.186  1357.70  201.640   51.768   10.532   67.057   5.2065 -15.28934 11.74901 
1 1 1    9   35  -23 o   80.604   3.0864  1909.70  143.679  1909.70  143.679   0.0000   0.0000   80.604   3.0864  ?   ?       ?      ? 
1 1 1    9   36  -23 o   70.251   4.2786  1389.73  147.105  1820.54  319.309  1273.65  165.741   75.368   7.3357   65.134   4.4059 10.23396 8.557100 
1 1 1    9   37  -23 o   39.682   5.8921  489.540  135.035   0.0000   0.0000  489.540  135.035  ?   ?    39.682   5.8921      ?      ? 
1 1 1    9   38  -23 o   28.102   7.6591  201.670  178.299   35.973  221.542  506.330  300.404   21.165   9.3229   35.039   12.154 -13.87421 15.31822 
1 1 1    9   39  -23 o   53.963   4.3044  917.243  123.267  946.399  222.936  904.404  147.939   53.584   7.2038   54.342   4.7137 -0.7581711 8.608879 
1 1 1    9   40  -23 o   44.541   6.8668  826.052  160.003  591.840  307.648  912.893  187.332   35.849   12.308   53.233   6.0932 -17.38379 13.73353 
1 1 1    9    0  -24 o   70.709   4.1853  1461.28  169.548  1461.28  169.548   0.0000   0.0000   70.709   4.1853   70.709   4.1853 -0.000000 0.000000 
1 1 1    9    1  -24 o   79.910   3.1774  1852.21  146.259  1683.05  205.148  2027.06  208.577   76.185   4.6624   83.634   4.3181 -7.448929 6.354885 
1 1 1    9    2  -24 o   45.113   4.9786  614.909  112.664  630.889  133.581  575.527  209.699   46.631   4.9600   43.595   8.6340 3.035862 9.957256 
1 1 1    9    3  -24 o   20.351   5.9231   33.408  111.343   5.2022  146.603   71.855  171.159   18.577   7.8768   22.125   8.8480 -3.547861 11.84613 
1 1 1    9    4  -24 o  186.225   2.0099 10095.07  207.061 10262.04  259.234  9800.81  344.140  188.409   2.3823  184.041   3.2377 4.367859 4.019724 
1 1 1    9    5  -24 o  224.108   1.6889 14519.34  218.599 14448.50  308.798 14590.49  309.495  223.560   2.3916  224.656   2.3853 -1.096436 3.377836 
1 1 1    9    6  -24 o  215.907   2.3878 13492.17  297.653 13452.74  426.137 13529.72  415.940  215.592   3.4224  216.221   3.3308 -0.6289520 4.775659 
1 1 1    9    7  -24 o  152.083   1.7301  6694.02  142.097  6707.12  172.768  6666.62  249.813  152.344   1.9636  151.820   2.8490 0.5238953 3.460172 
1 1 1    9    8  -24 o   59.187   5.3999  1007.43  169.047  984.579  200.967  1062.71  312.603   58.187   5.9802   60.187   8.9929 -2.000221 10.79979 
1 1 1    9    9  -24 o  107.599   2.6058  3386.10  141.184  3282.77  277.173  3422.30  164.064  106.407   4.5102  108.790   2.6112 -2.382820 5.211532 
1 1 1    9   10  -24 o  197.092   1.8478 11227.61  210.288 10940.85  293.904 11528.41  301.006  194.514   2.6162  199.670   2.6102 -5.155289 3.695635 
1 1 1    9   11  -24 o  146.730   2.5226  6225.60  200.475  6211.46  244.159  6254.85  351.209  146.539   2.8849  146.920   4.1391 -0.3804016 5.045246 
1 1 1    9   12  -24 o  172.777   2.3003  8624.00  214.762  8682.01  378.131  8596.38  260.931  173.139   3.7815  172.414   2.6204 0.7244568 4.600667 
1 1 1    9   13  -24 o   38.781   6.5205  453.685  142.704  417.131  187.676  503.786  219.717   36.974   8.8967   40.588   9.5350 -3.614174 13.04095 
1 1 1    9   14  -24 o  112.887   2.3669  3693.55  154.020  3602.04  223.165  3776.78  212.835  111.541   3.4642  114.234   3.2260 -2.693024 4.733713 
1 1 1    9   15  -24 o  191.616   2.2718 10703.23  230.331 10436.75  417.984 10819.44  276.020  189.801   3.8131  193.432   2.4707 -3.631088 4.543593 
1 1 1    9   16  -24 o  109.263   3.3783  3496.70  195.901  3386.82  352.838  3545.66  235.540  107.894   5.6623  110.632   3.6864 -2.738731 6.756568 
1 1 1    9   17  -24 f   88.414   4.3100  2341.12  197.668  2130.82  363.630  2429.33  235.503   85.331   7.3785   91.497   4.4566 -6.165855 8.619916 
1 1 1    9   18  -24 o  267.624   2.0603 20836.33  274.400 20942.53  316.517 20515.01  550.545  269.155   2.0361  266.093   3.5824 3.062012 4.120614 
1 1 1    9   19  -24 o  184.036   2.0499  9716.64  194.445  9612.92  227.704  9995.93  373.658  182.334   2.1623  185.739   3.4833 -3.404556 4.099844 
1 1 1    9   20  -24 o   61.058   3.8893  1086.81  137.033  1099.57  190.567  1073.14  197.191   61.442   5.3703   60.673   5.6273 0.7686691 7.778617 
1 1 1    9   21  -24 o  119.466   2.3728  4138.06  162.771  4151.06  218.952  4122.02  243.365  119.700   3.1672  119.232   3.5341 0.4670868 4.745612 
1 1 1    9   22  -24 o   56.171   4.5981  935.859  142.365  963.838  178.264  886.591  236.550   57.477   5.3702   54.864   7.4653 2.612358 9.196167 
1 1 1    9   23  -24 o   76.435   3.1531  1717.45  137.564  1846.87  185.661  1559.90  204.840   79.715   4.0327   73.156   4.8482 6.559143 6.306161 
1 1 1    9   24  -24 f   25.451   9.5584  150.446  190.425  150.446  190.425   0.0000   0.0000   25.451   9.5584  ?   ?       ?      ? 
1 1 1    9   25  -24 o  133.249   1.7789  5144.26  135.698  5147.10  180.404  5140.56  205.933  133.320   2.3430  133.178   2.6774 0.1417542 3.557774 
1 1 1    9   26  -24 o  149.622   2.6657  6626.96  208.250  6780.67  248.142  6260.82  382.979  152.881   2.8104  146.363   4.5306 6.517288 5.331473 
1 1 1    9   27  -24 o  109.250   2.4110  3505.46  149.988  3695.37  199.581  3259.01  227.353  112.763   3.0646  105.737   3.7230 7.026451 4.822026 
1 1 1    9   28  -24 o   21.015   6.5614 -14.8914  123.211 -25.1941  136.503   30.415  286.252   16.712   7.3409   25.317   10.877 -8.604561 13.12283 
1 1 1    9   29  -24 o   83.888   3.5545  2036.75  156.761  1977.21  185.383  2186.17  293.666   82.164   3.9067   85.612   5.9392 -3.448753 7.108909 
1 1 1    9   30  -24 o   30.065   7.4227  276.018  150.076  284.212  177.186  255.217  282.314   29.813   9.2900   30.316   11.579 -0.5037708 14.84542 
1 1 1    9   31  -24 o   92.011   2.8298  2457.27  145.826  2344.56  183.157  2652.42  241.013   89.375   3.5483   94.647   4.4091 -5.272049 5.659533 
1 1 1    9   32  -24 o   70.604   4.2658  1461.18  127.212  1434.41  138.488  1605.77  321.848   69.859   3.4325   71.348   7.8106 -1.489647 8.531512 
1 1 1    9   33  -24 o   52.435   5.4536  873.516  147.465  859.955  176.989  904.301  266.671   53.070   5.7745   51.801   9.2532 1.269245 10.90713 
1 1 1    9   34  -24 o   99.979   3.8178  3227.77  174.493  3369.21  197.523  2725.14  372.358  106.979   3.1969   92.979   6.9341 14.00024 7.635612 
1 1 1    9   35  -24 o   40.155   6.0089  505.092  128.548  413.934  155.264  703.754  229.208   35.152   7.8466   45.159   9.1027 -10.00713 12.01779 
1 1 1    9   36  -24 o   55.011   6.4455  902.463  155.805  1298.29  376.269  820.550  171.169   58.581   11.532   51.441   5.7614 7.139256 12.89105 
1 1 1    9   37  -24 o   39.286   6.9927  571.336  159.252  510.531  226.990  630.277  223.484   36.781   10.285   41.791   9.4774 -5.010471 13.98542 
1 1 1    9   38  -24 o   52.767   6.0543  872.125  152.566  1179.67  326.197  786.011  172.609   55.759   10.515   49.774   6.0045 5.985722 12.10853 
1 1 1    9   39  -24 o   40.826   6.2480  587.760  141.056  757.077  226.485  480.466  180.292   45.495   8.9385   36.157   8.7322 9.338417 12.49594 
1 1 1    9    0  -25 o  110.489   2.5357  3540.07  161.406  3478.01  226.371  3604.26  230.202  109.501   3.5882  111.477   3.5839 -0.000000 0.000000 
1 1 1    9    1  -25 o  202.113   1.5387 11810.98  175.738 11825.09  226.350 11789.57  278.844  202.285   1.9375  201.942   2.3908 0.3432465 3.077308 
1 1 1    9    2  -25 o  247.302   2.3730 17700.27  338.929 17674.05  479.862 17726.37  478.775  247.118   3.3622  247.485   3.3496 -0.3675842 4.746006 
1 1 1    9    3  -25 o  238.880   2.0981 16451.95  238.065 16410.16  268.652 16604.74  513.723  238.295   1.9520  239.466   3.7145 -1.171234 4.196187 
1 1 1    9    4  -25 o   14.222   4.9199 -324.7012  116.443 -193.0189  205.234 -387.2141  141.406   17.588   8.2078   10.856   5.4271 6.732285 9.839765 
1 1 1    9    5  -25 o   70.152   4.6918  1496.48  152.328  1542.53  171.908  1328.20  328.653   72.965   4.0794   67.339   8.4506 5.626144 9.383668 
1 1 1    9    6  -25 o  201.295   1.8061 11710.47  209.639 11616.13  287.889 11816.96  305.875  200.439   2.4869  202.150   2.6199 -1.711426 3.612273 
1 1 1    9    7  -25 o   66.257   4.0464  1271.94  154.842  1271.94  154.842   0.0000   0.0000   66.257   4.0464  ?   ?       ?      ? 
1 1 1    9    8  -25 o  159.616   1.8771  7362.45  173.042  7362.45  173.042   0.0000   0.0000  159.616   1.8771  ?   ?       ?      ? 
1 1 1    9    9  -25 o  225.310   1.5187 14665.79  194.590 14629.32  253.761 14717.84  303.165  224.989   1.9529  225.631   2.3265 -0.6419220 3.037472 
1 1 1    9   10  -25 o   64.469   4.1947  1214.18  155.405  1273.03  212.844  1146.97  227.432   66.177   5.5689   62.760   6.2746 3.417599 8.389437 
1 1 1    9   11  -25 f  113.234   2.3967  3711.02  156.345  3699.60  213.525  3724.22  229.553  113.056   3.2702  113.412   3.5046 -0.3559265 4.793373 
1 1 1    9   12  -25 o   86.464   2.9442  2184.41  136.627  2120.52  241.341  2214.55  165.744   85.463   4.8895   87.466   3.2811 -2.002975 5.888370 
1 1 1    9   13  -25 o   89.112   2.8711  2300.75  147.694  2337.88  212.854  2266.28  205.104   89.802   4.1040   88.423   4.0163 1.378586 5.742269 
1 1 1    9   14  -25 o   29.988   6.7638  256.783  139.371  362.154  186.565  123.723  209.649   34.462   9.2008   25.514   9.9166 8.948553 13.52757 
1 1 1    9   15  -25 o  153.949   1.8949  6865.12  165.497  6903.16  215.117  6809.95  259.056  154.499   2.4108  153.400   2.9240 1.099808 3.789728 
1 1 1    9   16  -25 o  133.195   3.2502  5137.54  250.027  5137.54  250.027   0.0000   0.0000  133.195   3.2502  ?   ?       ?      ? 
1 1 1    9   17  -25 f  145.217   2.3511  6120.36  192.660  6164.05  247.874  6053.69  306.201  145.923   2.9412  144.512   3.6687 1.410614 4.702157 
1 1 1    9   18  -25 o  219.867   1.8750 13942.95  211.543 14091.00  407.630 13888.38  247.477  220.556   3.2001  219.178   1.9550 1.378113 3.750037 
1 1 1    9   19  -25 o   40.160   7.2165  497.642  166.848  518.985  251.408  480.842  223.046   40.891   10.569   39.430   9.8291 1.461685 14.43294 
1 1 1    9   20  -25 o  235.596   1.5871 16072.87  206.831 16003.28  346.112 16111.52  257.957  235.138   2.5486  236.055   1.8921 -0.9167328 3.174222 
1 1 1    9   21  -25 o  103.490   3.3541  3166.89  169.638  3209.61  194.557  3031.43  346.455  105.214   3.2017  101.765   5.8947 3.449318 6.708113 
1 1 1    9   22  -25 o   39.268   6.2500  512.467  131.137  350.078  243.734  578.629  155.575   34.130   10.930   44.407   6.0660 -10.27727 12.50009 
1 1 1    9   23  -25 o   71.870   3.2561  1517.94  128.915  1544.23  160.698  1470.47  215.925   72.866   3.8186   70.875   5.2751 1.991028 6.512125 
1 1 1    9   24  -25 o  187.401   2.1745 10182.11  221.879 10155.83  271.640 10234.80  384.605  187.203   2.5124  187.600   3.5497 -0.3971100 4.348913 
1 1 1    9   25  -25 o  ?   ?  -827.0693  136.611 -991.8636  208.858 -703.8502  180.601  ?   ?   ?   ?       ?      ? 
1 1 1    9   26  -25 o   86.163   3.7469  2196.01  185.557  2094.56  272.134  2284.16  253.671   84.196   5.5964   88.131   4.9838 -3.935066 7.493835 
1 1 1    9   27  -25 o  117.857   2.2848  4054.94  148.985  4074.80  186.053  4019.43  248.734  118.413   2.7205  117.302   3.6715 1.111290 4.569593 
1 1 1    9   28  -25 o   87.661   3.4342  2277.97  161.810  2289.70  196.334  2253.13  285.701   88.392   3.8459   86.930   5.6906 1.461617 6.868308 
1 1 1    9   29  -25 o   71.737   3.5932  1387.99  114.051  1314.63  124.567  1768.23  283.612   67.064   3.2161   76.411   6.4267 -9.346832 7.186460 
1 1 1    9   30  -25 o   45.541   4.8857  601.548  124.147  501.793  153.229  792.146  211.803   40.506   6.5500   50.576   7.2511 -10.06989 9.771414 
1 1 1    9   31  -25 o   89.212   3.1254  2354.62  160.533  2593.55  237.949  2155.01  217.485   93.344   4.4138   85.080   4.4260 8.263847 6.250729 
1 1 1    9   32  -25 o   45.957   6.1816  699.060  157.132  635.183  208.455  783.118  239.125   43.609   8.5821   48.305   8.8992 -4.695705 12.36318 
1 1 1    9   33  -25 o   19.693   6.3847 -83.5262  165.689  -5.5153  212.035 -205.8625  265.527   20.327   9.0286   19.058   9.0300 1.268631 12.76932 
1 1 1    9   34  -25 o   48.468   4.3472  736.203  120.142  766.640  160.306  697.201  181.467   49.942   5.5578   46.995   6.6860 2.947090 8.694325 
1 1 1    9   35  -25 o   93.741   3.7501  2609.09  122.936  2586.17  129.777  2809.50  383.704   94.031   2.3897   93.452   7.1092 0.5792007 7.500131 
1 1 1    9   36  -25 o   21.300   6.3645   86.901  130.010   95.871  159.593   69.205  224.166   20.637   8.4372   21.963   9.5311 -1.326345 12.72901 
1 1 1    9   37  -25 o   45.032   4.7768  679.236   99.393  694.863  114.053  629.902  202.648   47.939   4.1194   42.126   8.6198 5.812881 9.553512 
1 1 1    9   38  -25 o   23.547   7.4076  110.533  202.139   37.571  328.337  155.067  256.514   23.159   10.658   23.936   10.291 -0.7766895 14.81528 
1 1 1    9    0  -26 o  138.704   2.9867  5566.11  237.489  5725.58  356.772  5439.22  318.242  140.460   4.4078  136.949   4.0315 -0.000000 0.000000 
1 1 1    9    1  -26 o   71.027   3.4879  1516.73  134.707  1295.41  223.402  1643.17  168.858   66.741   5.7957   75.314   3.8820 -8.572807 6.975729 
1 1 1    9    2  -26 o   83.739   2.6420  2031.48  127.663  1925.54  179.865  2139.04  181.227   81.532   3.8197   85.945   3.6511 -4.412758 5.283980 
1 1 1    9    3  -26 o  160.941   2.1436  7462.40  179.474  7421.02  211.667  7568.25  338.539  160.219   2.2875  161.664   3.6258 -1.445663 4.287107 
1 1 1    9    4  -26 o   81.678   3.2370  1960.88  150.428  2136.78  202.292  1743.28  224.989   85.868   4.0791   77.488   5.0274 8.379761 6.474064 
1 1 1    9    5  -26 o  167.846   2.3045  8177.12  205.375  8095.24  371.885  8213.05  246.349  167.164   3.8520  168.529   2.5310 -1.365158 4.609071 
1 1 1    9    6  -26 o   54.459   6.7481  955.953  188.773  1081.30  232.321  712.367  323.860   60.902   6.6050   48.017   11.770 12.88496 13.49623 
1 1 1    9    7  -26 o  156.307   2.0966  7069.74  189.252  7174.11  267.260  6964.77  268.027  157.467   2.9387  155.147   2.9912 2.319809 4.193282 
1 1 1    9    8  -26 o   89.338   3.6162  2363.74  181.287  2100.96  283.162  2546.27  235.994   84.976   5.7697   93.700   4.3609 -8.723953 7.232344 
1 1 1    9    9  -26 o   50.273   5.2288  732.672  151.156  661.309  203.126  821.231  226.279   47.554   7.3960   52.993   7.3934 -5.439068 10.45766 
1 1 1    9   10  -26 o  191.312   1.8361 10598.67  202.536 10329.46  292.703 10845.99  280.543  188.968   2.6820  193.656   2.5083 -4.687927 3.672144 
1 1 1    9   11  -26 o   25.099   7.5074   8.1091  167.045 -32.5021  194.242  123.435  327.330   20.267   8.8331   29.931   12.142 -9.664331 15.01476 
1 1 1    9   12  -26 o  182.892   2.2671  9674.11  224.072  9714.68  394.175  9654.74  272.358  183.090   3.7277  182.693   2.5813 0.3970947 4.534149 
1 1 1    9   13  -26 o  130.760   2.1998  4995.33  161.610  5157.19  207.784  4747.49  257.121  133.508   2.6948  128.013   3.4778 5.495316 4.399598 
1 1 1    9   14  -26 o  107.429   3.2796  3199.30  168.330  3630.62  370.174  3086.86  189.002  111.612   5.7426  103.245   3.1696 8.367149 6.559281 
1 1 1    9   15  -26 o  182.732   2.0165  9609.59  190.700  9792.10  363.182  9540.12  224.076  183.826   3.4208  181.637   2.1360 2.188828 4.032944 
1 1 1    9   16  -26 o  100.327   2.6475  2917.34  151.425  2932.86  233.945  2906.15  198.652  100.521   4.0297  100.132   3.4351 0.3888397 5.295098 
1 1 1    9   17  -26 o  262.058   1.8716 19728.33  258.187 19517.37  306.586 20242.78  478.772  259.792   2.0433  264.323   3.1362 -4.530853 3.743156 
1 1 1    9   18  -26 o  128.180   3.0030  4841.98  179.058  4663.81  392.377  4888.85  201.232  126.417   5.3742  129.943   2.6814 -3.526382 6.005972 
1 1 1    9   19  -26 f  103.363   2.6146  3090.04  152.123  3049.19  193.887  3155.46  245.358  102.538   3.2740  104.187   4.0776 -1.649132 5.229283 
1 1 1    9   20  -26 o  158.232   2.4658  7439.39  189.350  7591.15  216.863  6952.51  388.423  161.943   2.3187  154.521   4.3524 7.422058 4.931525 
1 1 1    9   21  -26 o   58.666   4.5099  1023.06  151.282  1113.93  206.561  917.922  222.181   61.601   5.8060   55.732   6.9027 5.869129 9.019828 
1 1 1    9   22  -26 o   89.815   3.5642  2423.04  138.395  2455.81  152.426  2269.20  330.241   92.010   2.8684   87.620   6.5259 4.389412 7.128477 
1 1 1    9   23  -26 o  106.310   2.7737  3289.32  165.147  3271.66  209.200  3318.54  269.034  106.054   3.4155  106.565   4.3713 -0.5111847 5.547369 
1 1 1    9   24  -26 o  105.797   2.2991  3253.98  139.433  3235.32  185.940  3277.95  210.758  105.498   3.0517  106.096   3.4395 -0.5982590 4.598204 
1 1 1    9   25  -26 f  100.960   2.3843  2954.73  138.271  3119.12  208.738  2826.19  184.572  103.414   3.4949   98.506   3.2443 4.908386 4.768624 
1 1 1    9   26  -26 o   63.421   5.7637  1375.27  138.718  1059.54  344.501  1436.37  151.546   56.778   10.902   70.064   3.7451 -13.28675 11.52745 
1 1 1    9   27  -26 o   40.955   6.6073  586.023  146.122  656.946  173.579  413.513  270.713   46.645   6.4432   35.265   11.537 11.38050 13.21461 
1 1 1    9   28  -26 o   94.533   3.1457  2666.46  146.653  2686.63  168.798  2604.39  296.178   95.887   3.0481   93.178   5.5037 2.708496 6.291346 
1 1 1    9   29  -26 o   28.596   6.7044  261.355  128.488  226.285  170.777  307.104  195.053   26.804   9.1708   30.387   9.7823 -3.582235 13.40884 
1 1 1    9   30  -26 o   46.316   5.6523  707.074  144.108  809.774  194.774  582.857  214.209   51.139   6.5946   41.494   9.1817 9.645672 11.30454 
1 1 1    9   31  -26 o   74.532   2.7776  1635.47  119.048  1479.95  159.945  1828.65  178.259   70.597   3.9228   78.468   3.9334 -7.871475 5.555225 
1 1 1    9   32  -26 o   38.444   5.8979  493.918  118.105  494.998  139.316  491.159  222.669   39.977   6.0340   36.911   10.136 3.065540 11.79576 
1 1 1    9   33  -26 o   59.745   5.8490  1220.06  180.583  1302.14  223.598  1066.12  306.228   64.732   5.9808   54.758   10.053 9.973900 11.69797 
1 1 1    9   34  -26 o   39.956   8.2178  611.793  189.976  685.615  352.311  581.528  225.582   39.935   13.166   39.977   9.8372 -0.4193497E-01 16.43553 
1 1 1    9   35  -26 o   36.206   7.1729  495.893  157.471  572.572  224.214  421.254  221.211   39.246   9.8945   33.165   10.388 6.080524 14.34586 
1 1 1    9   36  -26 o   39.609   6.5247  611.799  152.829  401.683  241.808  751.562  197.213   31.552   10.907   47.665   7.1639 -16.11342 13.04936 
1 1 1    9    0  -27 o   54.376   7.5613  977.994  188.385  899.672  339.959  1012.70  226.309   50.941   13.374   57.810   7.0595 -0.000000 0.000000 
1 1 1    9    1  -27 o  155.410   2.4866  6902.62  205.940  6760.35  246.251  7233.63  375.620  152.865   2.7892  157.956   4.1174 -5.090103 4.973244 
1 1 1    9    2  -27 o  318.081   1.7720 29256.92  325.510 29605.22  463.223 28917.16  457.513  319.951   2.5068  316.212   2.5052 3.739594 3.544015 
1 1 1    9    3  -27 o   23.379   6.7329   61.496  132.194   43.043  157.305  105.853  243.888   20.399   8.3625   26.358   10.554 -5.958942 13.46579 
1 1 1    9    4  -27 o  196.995   2.0434 11266.71  185.802 11292.01  207.808 11165.88  414.868  197.667   1.8203  196.322   3.6589 1.345001 4.086724 
1 1 1    9    5  -27 o  113.812   2.8940  3805.67  184.787  3986.96  238.132  3531.28  292.964  117.325   3.5143  110.298   4.5990 7.026199 5.788000 
1 1 1    9    6  -27 o  142.303   2.4039  5828.92  188.660  5746.54  233.519  5983.75  320.131  140.923   2.8692  143.684   3.8578 -2.760651 4.807747 
1 1 1    9    7  -27 o   85.925   3.0212  2151.67  138.659  2116.11  247.909  2167.86  167.269   85.330   5.0304   86.521   3.3474 -1.191177 6.042395 
1 1 1    9    8  -27 o   69.801   3.4567  1354.18  132.417  1232.33  160.681  1612.10  233.766   65.171   4.2690   74.431   5.4381 -9.259453 6.913500 
1 1 1    9    9  -27 o  156.053   1.9936  7045.33  179.182  7074.18  263.634  7020.56  244.274  156.338   2.9198  155.768   2.7153 0.5696716 3.987213 
1 1 1    9   10  -27 o   72.653   4.8879  1582.95  189.072  1650.76  229.867  1441.13  332.449   75.316   5.2845   69.990   8.2244 5.326431 9.775852 
1 1 1    9   11  -27 o  164.797   2.0151  7867.35  191.615  8063.65  267.556  7660.66  274.549  166.919   2.7754  162.675   2.9222 4.244019 4.030160 
1 1 1    9   12  -27 o  185.249   2.7369  9932.27  292.818   0.0000   0.0000  9932.27  292.818  ?   ?   185.249   2.7369      ?      ? 
1 1 1    9   13  -27 o   23.411   7.4561 -181.7738  182.642   76.266  369.146 -265.4164  210.169   30.180   12.630   16.643   7.9279 13.53688 14.91229 
1 1 1    9   14  -27 o  220.868   2.4909 14149.44  316.443 14107.10  468.783 14184.87  428.908  220.523   3.6807  221.214   3.3571 -0.6914063 4.981757 
1 1 1    9   15  -27 o   99.220   2.7420  2854.33  154.497  2837.03  200.689  2879.50  242.066   98.900   3.5135   99.541   4.2106 -0.6417923 5.483997 
1 1 1    9   16  -27 o  168.378   1.8582  8207.91  176.601  8213.22  281.336  8204.46  226.865  168.376   2.8931  168.381   2.3329 -0.4989624E-02 3.716480 
1 1 1    9   17  -27 o   31.445   8.1335  201.146  167.243  141.639  189.734  408.450  354.132   25.144   9.5192   37.746   13.191 -12.60265 16.26700 
1 1 1    9   18  -27 o  153.326   1.8554  6879.50  155.654  7034.55  192.764  6588.97  263.872  155.914   2.1407  150.738   3.0310 5.176895 3.710737 
1 1 1    9   19  -27 o   49.875   6.6665  793.128  177.749  664.743  295.460  865.948  222.520   45.678   11.269   54.071   7.1255 -8.393024 13.33297 
1 1 1    9   20  -27 o  286.906   2.0009 24078.94  265.797 24217.36  297.894 23538.44  588.653  289.333   1.7827  284.479   3.5828 4.853882 4.001812 
1 1 1    9   21  -27 o   23.732   6.8054 -29.1511  143.132  274.894  266.144 -152.8739  169.775   31.523   11.392   15.941   7.4479 15.58172 13.61074 
1 1 1    9   22  -27 o   40.958   5.4038  488.647  123.031  666.208  198.662  378.181  156.695   47.150   7.2954   34.767   7.9736 12.38324 10.80750 
1 1 1    9   23  -27 o  107.438   2.1032  3311.83  122.931  3491.10  215.855  3225.77  149.554  109.440   3.4151  105.436   2.4560 4.004402 4.206485 
1 1 1    9   24  -27 o   61.222   3.5643  1107.24  125.978  1150.22  179.809  1065.80  176.556   62.402   4.9891   60.041   5.0916 2.361481 7.128503 
1 1 1    9   25  -27 o   28.794   6.8985  255.004  138.230  201.120  204.303  300.496  187.720   26.948   9.9437   30.639   9.5646 -3.690287 13.79706 
1 1 1    9   26  -27 o   50.981   5.6958  818.837  149.396  817.737  269.201  819.327  179.589   49.812   9.7063   52.149   5.9628 -2.336861 11.39150 
1 1 1    9   27  -27 o   20.742   5.9882   58.026  119.421  145.250  159.202 -54.2063  180.587   23.295   8.7415   18.189   8.1865 5.105467 11.97635 
1 1 1    9   28  -27 o   88.815   3.0578  2341.83  156.738  2450.75  226.549  2241.83  217.075   90.796   4.3203   86.835   4.3284 3.961060 6.115565 
1 1 1    9   29  -27 o   76.413   4.0829  1793.70  166.172  1757.60  296.103  1810.30  200.768   75.001   6.8358   77.826   4.4667 -2.824890 8.165769 
1 1 1    9   30  -27 o   37.983   5.4891  480.418  118.014  593.514  164.337  359.990  169.581   43.592   6.5274   32.374   8.8269 11.21847 10.97823 
1 1 1    9   31  -27 o   52.954   3.9374  885.145  116.212  1075.50  159.017  666.933  170.254   59.741   4.6088   46.167   6.3853 13.57396 7.874784 
1 1 1    9   32  -27 o   25.362   6.2190  220.162  117.463  282.719  137.825   54.121  224.542   28.810   7.9991   21.914   9.5245 6.896067 12.43793 
1 1 1    9   33  -27 o   35.660   7.1594  480.973  139.649  492.518  155.424  432.603  318.136   38.527   7.2511   32.793   12.347 5.733856 14.31882 
1 1 1    9   34  -27 o   51.922   6.9844  1077.65  181.685  1222.79  218.192  749.454  328.097   62.135   6.0802   41.709   12.576 20.42590 13.96871 
1 1 1    9   35  -27 o   16.922   5.6663 -233.4848  154.623 -481.4654  216.646   23.984  220.751   13.421   6.7109   20.422   9.1318 -7.000846 11.33253 
1 1 1    9    0  -28 o   74.648   4.9514  1664.63  208.636  1723.40  289.431  1601.05  301.022   76.158   6.6995   73.138   7.2927 -0.000000 0.000000 
1 1 1    9    1  -28 o  107.881   2.6187  3381.80  162.068  3297.09  242.002  3450.68  218.234  106.627   3.9297  109.134   3.4624 -2.506836 5.237471 
1 1 1    9    2  -28 o   18.635   5.7032 -51.0122  118.521   60.601  167.255 -163.5888  167.975   21.481   8.6912   15.789   7.3872 5.691654 11.40645 
1 1 1    9    3  -28 o  149.210   2.5642  6478.28  213.104  6354.34  349.540  6551.60  268.848  147.995   4.0894  150.424   3.0946 -2.428879 5.128362 
1 1 1    9    4  -28 o   49.717   5.0905  737.543  138.623  534.917  190.841  963.871  201.695   41.960   8.1689   57.475   6.0762 -15.51521 10.18091 
1 1 1    9    5  -28 f  105.791   2.1761  3240.30  132.941  3219.24  186.439  3262.09  189.617  105.442   3.0615  106.139   3.0933 -0.6966324 4.352144 
1 1 1    9    6  -28 o  146.715   2.4088  6350.48  176.150  6011.51  348.930  6466.41  204.061  143.911   4.1982  149.520   2.3631 -5.608658 4.817530 
1 1 1    9    7  -28 o  158.787   2.0187  7296.46  185.056  7220.92  257.586  7377.05  266.034  157.942   2.8238  159.632   2.8856 -1.689941 4.037401 
1 1 1    9    8  -28 o  120.443   3.1160  4184.60  195.208  4283.08  368.946  4146.31  230.046  121.266   5.2679  119.621   3.3298 1.644913 6.232070 
1 1 1    9    9  -28 o   48.473   5.3071  666.895  141.495  768.966  247.115  617.106  172.587   51.030   8.3847   45.916   6.5082 5.113564 10.61414 
1 1 1    9   10  -28 o   76.364   3.1470  1702.93  138.137  1551.97  198.564  1844.51  192.298   73.040   4.7071   79.689   4.1782 -6.649040 6.294001 
1 1 1    9   11  -28 o  210.995   1.7922 12882.81  218.306 12951.22  313.634 12818.51  304.051  211.532   2.5672  210.458   2.5015 1.074341 3.584402 
1 1 1    9   12  -28 o   25.150   7.0127   89.116  155.301 -19.5657  214.385  209.122  225.277   21.545   9.3353   28.754   10.467 -7.208950 14.02544 
1 1 1    9   13  -28 o  205.765   1.6231 12233.08  187.581 12330.76  303.431 12172.67  238.646  206.380   2.5457  205.150   2.0142 1.230179 3.246154 
1 1 1    9   14  -28 o   97.690   2.7129  2758.10  152.648  2993.33  226.000  2560.74  207.004  101.497   3.8554   93.883   3.8178 7.614464 5.425802 
1 1 1    9   15  -28 o  138.066   2.2897  5542.62  181.402  5419.48  270.752  5642.92  244.357  136.632   3.4311  139.501   3.0329 -2.868668 4.579430 
1 1 1    9   16  -28 o   25.972   7.3000   71.449  176.793  255.979  247.566 -120.5923  252.555   30.746   11.002   21.197   9.5974 9.549778 14.59991 
1 1 1    9   17  -28 o  124.392   2.4780  4502.69  177.500  4567.75  242.902  4428.14  260.016  125.392   3.3541  123.393   3.6486 1.998741 4.956025 
1 1 1    9   18  -28 o   98.622   2.5983  2813.43  145.699  2929.34  228.955  2734.55  188.879  100.257   3.9541   96.987   3.3720 3.269821 5.196675 
1 1 1    9   19  -28 f  184.666   1.7069  9929.77  179.634 10178.44  237.277  9595.89  274.946  187.449   2.1917  181.884   2.6174 5.564514 3.413860 
1 1 1    9   20  -28 o  101.281   3.4659  3115.83  174.879  2806.91  340.978  3226.09  203.712   97.295   6.0681  105.267   3.3507 -7.972229 6.931737 
1 1 1    9   21  -28 o  165.822   1.7158  7923.67  151.346  8119.54  275.403  7838.92  181.151  167.128   2.8532  164.516   1.9066 2.612732 3.431575 
1 1 1    9   22  -28 o   50.454   4.2226  760.804  120.514  767.306  156.037  751.192  189.724   50.890   5.3090   50.018   6.5677 0.8723373 8.445127 
1 1 1    9   23  -28 o   50.920   5.0871  755.967  144.594  922.578  245.439  667.404  178.943   54.823   7.7516   47.017   6.5898 7.806374 10.17416 
1 1 1    9   24  -28 o   35.917   6.4928  426.182  133.871  437.433  173.503  409.629  210.446   36.777   8.3583   35.058   9.9380 1.718700 12.98554 
1 1 1    9   25  -28 o   56.645   6.5593  1202.05  143.567  1283.74  157.890  812.084  344.974   65.908   4.1480   47.382   12.446 18.52529 13.11868 
1 1 1    9   26  -28 o  109.673   3.3273  3656.59  190.317  3753.37  227.212  3429.02  348.403  112.964   3.4826  106.383   5.6705 6.580307 6.654593 
1 1 1    9   27  -28 o   66.864   5.4313  1467.57  186.357  1542.67  222.981  1293.61  339.383   71.336   5.4122   62.393   9.4183 8.943615 10.86260 
1 1 1    9   28  -28 o   11.473   4.0461 -376.1444  107.976 -482.0645  153.890 -273.4362  151.539   10.474   5.2917   12.472   6.1221 -1.997887 8.092113 
1 1 1    9   29  -28 o   32.119   6.8494  353.293  132.806  412.320  225.737  322.047  164.237   33.667   10.485   30.571   8.8162 3.096382 13.69889 
1 1 1    9   30  -28 o   53.233   4.8908  898.631  149.535  925.521  224.545  877.202  200.448   53.714   7.2382   52.752   6.5792 0.9614258 9.781522 
1 1 1    9   31  -28 o   12.928   4.5981 -465.1147  135.675 -472.8620  167.257 -450.2090  232.000   11.220   5.6495   14.635   7.2562 -3.414627 9.196122 
1 1 1    9   32  -28 o   41.756   6.3333  577.516  145.870  845.944  241.439  423.209  183.057   49.227   8.8159   34.286   9.0951 14.94133 12.66654 
1 1 1    9   33  -28 o   30.802   5.9529  370.997  127.855  526.445  160.100   97.315  212.432   39.541   7.2788   22.062   9.4217 17.47910 11.90587 
1 1 1    9   34  -28 o   28.064   7.4746  177.135  140.857   67.204  157.017  630.230  318.774   19.235   8.1535   36.892   12.530 -17.65683 14.94927 
1 1 1    9    0  -29 o  160.565   2.6479  7489.31  244.587  7724.73  337.224  7228.00  355.280  163.264   3.5803  157.866   3.9021 -0.000000 0.000000 
1 1 1    9    1  -29 o   71.646   4.4318  1451.95  175.855  1675.70  302.476  1337.71  216.137   75.574   6.9300   67.718   5.5263 7.855942 8.863691 
1 1 1    9    2  -29 o  167.068   1.9357  8063.19  184.734  8194.87  284.021  7966.63  243.208  168.218   2.9234  165.917   2.5381 2.300735 3.871458 
1 1 1    9    3  -29 o   17.741   6.0107 -264.7440  156.373 -364.5201  297.071 -226.5026  183.914   19.811   9.4336   15.672   7.4513 4.138912 12.02146 
1 1 1    9    4  -29 o  112.751   2.3825  3679.76  154.529  3624.22  208.693  3747.17  229.919  111.828   3.2313  113.674   3.5021 -1.845581 4.765063 
1 1 1    9    5  -29 o   74.175   4.0346  1476.33  138.017  1397.73  152.499  1832.17  324.483   69.396   3.8049   78.955   7.1158 -9.559227 8.069251 
1 1 1    9    6  -29 o  118.943   2.8232  3988.50  162.122  3893.58  183.248  4330.45  347.800  115.961   2.7362  121.924   4.9392 -5.963203 5.646406 
1 1 1    9    7  -29 f   36.987   6.1962  423.095  130.320  445.798  179.533  397.810  189.467   38.088   8.3883   35.887   9.1219 2.201061 12.39242 
1 1 1    9    8  -29 o  128.927   2.8057  4840.02  183.523  4852.16  213.713  4805.92  358.151  129.422   2.8592  128.432   4.8284 0.9898224 5.611461 
1 1 1    9    9  -29 o   97.397   2.9123  2757.24  163.460  2747.45  223.686  2768.45  239.454   97.233   3.9833   97.561   4.2497 -0.3283463 5.824635 
1 1 1    9   10  -29 f  251.581   2.1699 18305.46  300.530 18204.60  372.003 18494.99  509.927  250.734   2.5689  252.429   3.4977 -1.694809 4.339729 
1 1 1    9   11  -29 o   58.081   4.0087  1013.57  130.905  814.396  194.801  1177.57  176.767   52.630   6.4087   63.533   4.8174 -10.90305 8.017462 
1 1 1    9   12  -29 o  279.373   2.1240 22773.53  295.073 22910.94  340.362 22357.81  592.026  281.383   2.0944  277.363   3.6958 4.019135 4.247975 
1 1 1    9   13  -29 o  108.079   3.3964  3462.69  196.365  3274.79  346.145  3551.85  238.446  105.640   5.6734  110.518   3.7357 -4.877579 6.792864 
1 1 1    9   14  -29 o  199.362   2.4712 11659.17  264.271 11846.76  320.698 11262.25  466.481  202.133   2.7471  196.590   4.1085 5.543198 4.942324 
1 1 1    9   15  -29 o   37.261   6.4242  465.324  144.420  234.126  238.774  598.693  181.353   29.628   10.778   44.894   6.9945 -15.26538 12.84842 
1 1 1    9   16  -29 o  151.245   1.8210  6595.42  153.092  6495.13  191.342  6773.82  255.208  149.740   2.2125  152.750   2.8929 -3.009918 3.641961 
1 1 1    9   17  -29 o   78.253   3.2575  1777.19  143.383  1720.47  181.828  1870.46  233.160   76.736   4.1027   79.770   5.0609 -3.033096 6.515031 
1 1 1    9   18  -29 f  173.321   1.7456  8736.57  171.738  8832.71  223.857  8599.04  267.740  174.560   2.2204  172.082   2.6940 2.478195 3.491115 
1 1 1    9   19  -29 o   86.523   2.7679  2185.53  137.776  2240.70  205.136  2140.19  185.962   87.473   4.0605   85.572   3.7627 1.900154 5.535899 
1 1 1    9   20  -29 f   31.322   8.2196  280.644  186.999  232.290  356.636  298.979  219.609   31.647   12.731   30.997   10.401 0.6507359 16.43927 
1 1 1    9   21  -29 o   53.833   3.9432  873.257  121.287  969.021  166.866  765.998  176.598   57.148   5.0557   50.519   6.0527 6.629921 7.886387 
1 1 1    9   22  -29 o   43.233   8.1405  634.239  199.644  601.224  246.352  697.409  340.763   42.300   10.202   44.166   12.688 -1.866173 16.28100 
1 1 1    9   23  -29 o   29.995   6.5129  305.050  136.481  422.951  171.297  100.103  225.846   35.950   8.4013   24.041   9.9545 11.90931 13.02589 
1 1 1    9   24  -29 o   68.471   3.0258  1404.55  117.822  1481.28  156.476  1304.08  179.045   70.838   3.8247   66.105   4.6897 4.732841 6.051571 
1 1 1    9   25  -29 o   67.275   3.7454  1381.53  143.224  1278.29  217.414  1460.69  190.367   64.722   5.8164   69.829   4.7203 -5.106781 7.490779 
1 1 1    9   26  -29 o   41.007   6.5992  576.347  153.926  452.061  211.359  716.710  224.615   35.810   9.8921   46.203   8.7376 -10.39269 13.19843 
1 1 1    9   27  -29 o   72.975   3.2580  1588.59  135.902  1692.82  210.134  1513.65  178.182   74.851   4.8609   71.099   4.3392 3.751610 6.515899 
1 1 1    9   28  -29 o   52.591   4.5030  890.271  130.295  760.671  208.183  973.729  167.060   48.627   7.4128   56.554   5.1147 -7.927090 9.006099 
1 1 1    9   29  -29 f   39.862   6.0376  517.045  127.992  643.876  227.120  458.020  154.938   42.614   9.4737   37.110   7.4873 5.503700 12.07515 
1 1 1    9   30  -29 o   20.470   6.4738   28.274  140.950   88.244  154.068 -279.6009  349.084   20.261   8.2874   20.680   9.9478 -0.4188404 12.94761 
1 1 1    9   31  -29 o   41.101   5.9986  567.038  140.869  359.964  184.412  857.163  218.282   31.242   9.4302   50.961   7.4164 -19.71973 11.99717 
1 1 1    9   32  -29 o   59.501   6.3147  1381.67  138.208  1451.22  151.139  1026.56  341.494   69.489   3.7660   49.513   12.055 19.97524 12.62943 
1 1 1    9    0  -30 o  117.941   3.2535  4008.92  200.164  3949.92  236.695  4157.05  375.039  116.645   3.5207  119.237   5.4723 -0.000000 0.000000 
1 1 1    9    1  -30 o  167.552   1.9842  8049.41  174.085  8333.79  326.404  7936.35  205.799  169.485   3.3346  165.619   2.1515 3.865723 3.968422 
1 1 1    9    2  -30 o   74.574   4.1251  1669.07  147.164  1556.41  307.195  1702.63  167.654   72.594   7.3270   76.553   3.7920 -3.959122 8.250105 
1 1 1    9    3  -30 o  212.812   1.7577 13112.49  215.805 13121.60  312.618 13104.18  298.277  212.870   2.5428  212.755   2.4275 0.1152191 3.515471 
1 1 1    9    4  -30 o  124.232   3.1451  4442.91  209.127  4357.97  251.112  4635.16  377.783  122.511   3.5490  125.954   5.1933 -3.443565 6.290148 
1 1 1    9    5  -30 o  129.648   3.2329  4905.13  241.498  4995.86  332.153  4803.38  351.748  130.968   4.3913  128.328   4.7460 2.639801 6.465869 
1 1 1    9    6  -30 o  117.082   2.4071  3931.97  154.018  3835.92  188.287  4126.21  267.751  115.042   2.8339  119.122   3.8918 -4.079590 4.814269 
1 1 1    9    7  -30 o  174.146   2.3453  8974.67  203.496  8462.06  402.760  9150.39  235.808  170.506   4.0900  177.786   2.2966 -7.280457 4.690650 
1 1 1    9    8  -30 o  103.082   3.1393  3097.65  186.834  3126.20  268.262  3070.76  260.362  103.532   4.4864  102.631   4.3925 0.9010544 6.278692 
1 1 1    9    9  -30 o  216.648   2.5694 13600.50  321.494 13600.50  321.494   0.0000   0.0000  216.648   2.5694  ?   ?       ?      ? 
1 1 1    9   10  -30 o   93.840   4.2115  2672.21  189.935  2742.35  217.220  2444.42  391.442   97.053   3.8753   90.628   7.4786 6.424179 8.423010 
1 1 1    9   11  -30 o  223.364   2.2008 14474.68  271.991 14441.09  338.997 14535.38  455.701  223.179   2.6300  223.549   3.5296 -0.3699951 4.401685 
1 1 1    9   12  -30 o   53.315   4.5166  809.295  132.250  946.086  232.195  743.611  160.899   56.360   7.1335   50.271   5.5418 6.088909 9.033170 
1 1 1    9   13  -30 o  122.423   3.2194  4406.22  198.305  4347.96  390.751  4426.43  230.145  121.464   5.5701  123.383   3.2297 -1.918373 6.438742 
1 1 1    9   14  -30 o   13.968   4.8975 -447.7599  143.169 -431.9667  225.949 -458.3543  185.061   15.221   7.4723   12.714   6.3329 2.507264 9.794928 
1 1 1    9   15  -30 o  110.961   2.8094  3597.06  179.181  3617.66  267.036  3580.18  241.661  111.186   4.1585  110.736   3.7786 0.4498825 5.618787 
1 1 1    9   16  -30 o   33.518   6.8513  364.555  147.486  483.705  197.208  213.336  222.169   38.931   8.9571   28.105   10.370 10.82597 13.70252 
1 1 1    9   17  -30 o  135.779   2.1200  5393.99  159.484  5275.02  264.496  5461.96  199.915  134.434   3.4066  137.125   2.5243 -2.690918 4.239958 
1 1 1    9   18  -30 o   30.944   6.3932  277.770  121.280  442.764  201.132  183.504  152.028   36.838   9.4174   25.050   8.6490 11.78831 12.78645 
1 1 1    9   19  -30 o   22.604   6.4563   88.169  134.320 -33.5893  219.566  160.988  169.800   20.751   9.2034   24.457   9.0571 -3.706490 12.91258 
1 1 1    9   20  -30 o   16.691   5.6083 -198.3731  141.045 -240.6122  235.412 -174.7195  176.165   17.748   8.4361   15.635   7.3921 2.113472 11.21660 
1 1 1    9   21  -30 o   23.477   6.6338  125.534  128.583   61.183  247.256  149.388  150.540   23.748   10.154   23.207   8.5401 0.5410290 13.26769 
1 1 1    9   22  -30 o   12.943   4.5815 -431.9010  128.735 -450.8069  160.062 -397.2684  216.636   11.151   5.6028   14.736   7.2505 -3.585116 9.162979 
1 1 1    9   23  -30 o   45.921   5.6558  652.818  132.027  756.665  251.970  613.516  155.011   47.089   9.5908   44.753   5.9973 2.336021 11.31154 
1 1 1    9   24  -30 o   62.763   4.7367  1228.18  171.377  1272.92  251.634  1189.46  234.048   63.727   6.8369   61.798   6.5576 1.929699 9.473427 
1 1 1    9   25  -30 o   47.927   5.9953  747.969  149.750  808.248  269.667  721.094  180.065   47.818   10.082   48.036   6.4905 -0.2177505 11.99061 
1 1 1    9   26  -30 o   63.542   4.4430  1267.25  161.929  1140.58  233.186  1385.22  225.035   60.118   6.7160   66.966   5.8185 -6.847775 8.885959 
1 1 1    9   27  -30 o  109.360   2.4760  3524.97  143.743  3599.42  261.541  3492.75  172.060  109.625   4.1309  109.095   2.7308 0.5298004 4.951941 
1 1 1    9   28  -30 o   37.281   5.6908  481.529  122.707  636.073  171.271  318.537  175.890   44.694   6.6351   29.868   9.2475 14.82611 11.38161 
1 1 1    9   29  -30 o   59.301   3.9904  1070.42  130.148  1187.44  224.778  1011.40  159.628   61.072   6.3727   57.530   4.8043 3.542736 7.980782 
1 1 1    9   30  -30 o   41.225   6.6680  644.640  142.178  669.779  164.270  569.575  283.857   45.780   6.2129   36.670   11.800 9.110485 13.33603 
1 1 1    9   31  -30 o   28.356   6.6341  302.304  125.355  325.429  192.798  285.369  164.991   29.019   9.7451   27.692   9.0045 1.326857 13.26826 
1 1 1    9    0  -31 o   26.328   8.9054  293.981  153.102  368.558  245.248  246.357  195.983   29.020   13.346   23.637   11.795 -0.000000 0.000000 
1 1 1    9    1  -31 o   34.041   6.4766  362.641  130.517  395.827  182.557  327.943  186.669   35.574   8.9059   32.508   9.4060 3.066227 12.95329 
1 1 1    9    2  -31 o   16.708   5.4821 -163.3396  130.419 -52.8269  164.564 -349.9668  213.854   17.834   7.9359   15.582   7.5653 2.251981 10.96413 
1 1 1    9    3  -31 o   25.907   7.3925   19.171  143.132  322.433  325.142 -53.7237  159.408   34.320   12.563   17.494   7.7959 16.82537 14.78500 
1 1 1    9    4  -31 o   52.586   4.4128  881.664  120.304  1002.64  148.160  647.533  206.117   58.601   4.3776   46.571   7.6633 12.03032 8.825542 
1 1 1    9    5  -31 o   53.889   4.8104  859.598  145.874  870.477  234.645  852.744  186.237   54.006   7.5230   53.772   5.9969 0.2339287 9.620708 
1 1 1    9    6  -31 o   15.884   5.2785 -291.4940  128.711 -23.0022  193.677 -503.8654  172.251   20.179   8.8067   11.589   5.8215 8.589880 10.55691 
1 1 1    9    7  -31 f   93.615   3.0304  2517.86  159.187  2735.67  262.249  2390.78  200.312   96.659   4.6977   90.571   3.8294 6.088943 6.060761 
1 1 1    9    8  -31 o   67.238   3.9032  1326.73  147.366  1310.38  187.204  1353.38  238.957   66.846   4.8490   67.629   6.1179 -0.7829132 7.806476 
1 1 1    9    9  -31 o   30.336   6.6741  196.624  159.949  538.913  233.144 -107.7304  219.846   41.056   9.9390   19.615   8.9102 21.44076 13.34822 
1 1 1    9   10  -31 o  102.145   2.6012  3016.17  152.086  3234.85  234.143  2856.56  200.029  105.272   3.8511   99.018   3.4978 6.253914 5.202426 
1 1 1    9   11  -31 o   43.624   5.5495  595.354  132.632  637.402  172.003  533.680  208.308   46.246   6.4398   41.002   9.0398 5.244099 11.09904 
1 1 1    9   12  -31 o  ?   ?  -998.6955  149.265 -1262.9310  235.366 -820.9260  193.053  ?   ?   ?   ?       ?      ? 
1 1 1    9   13  -31 o   20.836   6.1088   52.452  116.732   52.529  194.398   52.408  145.981   21.992   9.1813   19.681   8.0606 2.310316 12.21758 
1 1 1    9   14  -31 o   91.609   2.8945  2461.35  150.204  2457.79  194.365  2466.62  236.668   91.668   3.6713   91.550   4.4761 0.1180573 5.789083 
1 1 1    9   15  -31 f   25.570   6.9418  169.248  133.266   9.1774  300.004  208.599  148.747   25.010   10.937   26.131   8.5523 -1.121067 13.88355 
1 1 1    9   16  -31 o   28.324   7.9944  109.266  191.132 -22.8400  230.723  398.219  341.226   21.490   9.4875   35.159   12.870 -13.66900 15.98877 
1 1 1    9   17  -31 o   43.758   5.1259  601.539  124.313  560.467  189.197  632.740  164.905   41.801   8.1296   45.716   6.2457 -3.915333 10.25178 
1 1 1    9   18  -31 o  100.246   2.9955  2881.42  159.601  2746.77  189.551  3209.42  295.839   96.775   3.3914  103.718   4.9388 -6.942307 5.991056 
1 1 1    9   19  -31 o   50.372   5.6021  857.093  145.282  973.561  182.325  654.519  240.455   56.777   5.5602   43.966   9.7272 12.81030 11.20419 
1 1 1    9   20  -31 o   47.420   6.7758  882.296  152.535  523.131  316.762  990.723  174.042   37.530   12.490   57.311   5.2581 -19.78117 13.55160 
1 1 1    9   21  -31 o   46.490   4.4158  672.006  117.236  722.411  158.991  611.942  173.558   48.683   5.6547   44.297   6.7839 4.385605 8.831623 
1 1 1    9   22  -31 o   56.793   4.4244  999.813  144.986  976.364  207.707  1022.09  202.475   56.043   6.4172   57.542   6.0925 -1.499485 8.848708 
1 1 1    9   23  -31 o   60.525   3.6606  1113.62  127.957  1112.34  181.062  1114.89  180.857   60.486   5.1830   60.563   5.1706 -0.7631302E-01 7.321149 
1 1 1    9   24  -31 o   58.196   4.5519  1057.04  150.851  1033.47  196.939  1090.50  234.653   57.781   5.9015   58.612   6.9320 -0.8305321 9.103841 
1 1 1    9   25  -31 o   44.238   6.7794  579.835  147.532  973.749  313.940  468.186  167.137   51.258   10.938   37.218   8.0126 14.03991 13.55880 
1 1 1    9   26  -31 o   72.818   3.2452  1618.45  129.808  1561.18  217.555  1650.11  161.757   71.256   5.2864   74.380   3.7655 -3.124512 6.490405 
1 1 1    9   27  -31 o   17.341   6.0837 -288.5124  150.385 -316.7298  166.041 -159.6891  354.776   12.625   6.2374   22.057   10.447 -9.432155 12.16733 
1 1 1    9   28  -31 o   17.825   6.1034 -264.2512  183.695 -301.1935  232.067 -202.2667  300.603   15.956   7.7771   19.694   9.4087 -3.737572 12.20680 
1 1 1    9   29  -31 o   23.757   6.2402  190.933  114.181  196.878  160.777  184.884  162.185   23.988   8.8260   23.525   8.8240 0.4631844 12.48040 
1 1 1    9    0  -32 o   17.687   8.0287   18.917  183.732 -31.6022  240.702   89.445  284.403   15.733   10.365   19.642   12.264 -0.000000 0.000000 
1 1 1    9    1  -32 o   57.921   4.8326  1002.62  161.631  981.552  228.591  1023.70  228.572   57.291   6.9086   58.551   6.7594 -1.259960 9.665276 
1 1 1    9    2  -32 o   82.821   3.5631  2019.84  170.225  2047.23  236.005  1990.14  245.760   83.449   4.8968   82.192   5.1772 1.257584 7.126192 
1 1 1    9    3  -32 o   59.302   4.9923  1179.43  143.925  1376.37  176.390  787.138  248.951   68.521   4.4572   50.082   8.9346 18.43935 9.984673 
1 1 1    9    4  -32 o   68.069   5.0486  1366.71  176.553  1338.00  206.278  1445.34  341.402   67.337   5.3041   68.801   8.5918 -1.463898 10.09720 
1 1 1    9    5  -32 o   87.567   3.2087  2254.63  161.810  2189.67  235.880  2312.37  222.384   86.312   4.7319   88.822   4.3351 -2.510597 6.417449 
1 1 1    9    6  -32 o   14.708   7.3849 -708.2891  149.163 -769.5165  275.526 -682.9040  177.411   14.708   7.3849  ?   ?       ?      ? 
1 1 1    9    7  -32 o  144.577   2.0797  6066.34  165.662  6128.16  280.500  6033.23  205.289  144.984   3.3499  144.170   2.4655 0.8140564 4.159356 
1 1 1    9    8  -32 o   35.394   7.1687  398.507  162.214  233.876  227.269  569.475  231.601   28.862   10.512   41.926   9.7493 -13.06348 14.33735 
1 1 1    9    9  -32 o   69.790   3.3925  1434.47  136.241  1462.91  202.303  1410.88  184.300   70.366   4.9780   69.215   4.6104 1.151115 6.785037 
1 1 1    9   10  -32 o   95.759   3.1242  2689.52  172.233  2812.04  255.996  2588.20  232.802   97.695   4.5371   93.822   4.2963 3.872337 6.248461 
1 1 1    9   11  -32 o   26.152   6.9943  178.260  143.789  156.843  225.036  193.037  186.924   26.061   10.233   26.244   9.5376 -0.1828098 13.98862 
1 1 1    9   12  -32 o   60.785   3.6456  1108.72  126.703  984.495  185.049  1218.36  173.846   57.399   5.5821   64.171   4.6907 -6.772484 7.291277 
1 1 1    9   13  -32 o   69.762   4.7466  1499.53  174.488  1431.17  314.535  1529.92  209.717   67.829   8.0291   71.694   5.0648 -3.865456 9.493124 
1 1 1    9   14  -32 o   63.050   3.4411  1188.86  123.104  1149.11  190.901  1217.16  161.067   61.955   5.3352   64.146   4.3477 -2.190636 6.882298 
1 1 1    9   15  -32 f   17.970   5.9787 -184.4004  157.194 -167.4477  240.644 -197.0182  207.609   19.011   8.8773   16.930   8.0107 2.081816 11.95732 
1 1 1    9   16  -32 o   22.987   6.5258  104.967  132.195  170.371  200.642   54.796  175.730   25.255   9.7331   20.720   8.6955 4.534666 13.05162 
1 1 1    9   17  -32 o   26.699   6.7628  220.893  138.852   88.732  228.257  298.526  174.944   23.543   9.8968   29.855   9.2192 -6.312006 13.52551 
1 1 1    9   18  -32 o   63.457   5.7809  1338.33  150.115  1361.46  165.686  1232.36  354.681   67.633   4.2418   59.281   10.756 8.351456 11.56175 
1 1 1    9   19  -32 o   75.553   3.3170  1714.97  142.693  1719.30  187.151  1708.96  220.529   75.916   4.2685   75.189   5.0784 0.7269516 6.633980 
1 1 1    9   20  -32 o   84.082   3.3044  2136.58  156.888  2176.92  203.117  2076.93  247.016   85.449   4.1158   82.715   5.1708 2.734261 6.608868 
1 1 1    9   21  -32 o   30.033   7.1983  323.385  145.206  355.082  167.889  229.282  289.277   32.060   8.8000   28.005   11.394 4.055136 14.39666 
1 1 1    9   22  -32 o   18.944   6.1425 -89.3324  156.142 -230.6691  242.648   10.553  203.986   17.650   8.4382   20.238   8.9285 -2.587578 12.28506 
1 1 1    9   23  -32 o   71.483   3.0947  1543.49  126.972  1477.93  187.699  1598.80  172.405   69.892   4.6500   73.075   4.0851 -3.182678 6.189495 
1 1 1    9   24  -32 o   36.976   7.8793  526.697  179.563  505.397  230.558  559.536  286.271   36.661   10.405   37.291   11.835 -0.6297379 15.75858 
1 1 1    9   25  -32 o   46.870   6.8329  779.315  162.343  817.156  313.459  765.444  189.779   44.949   11.891   48.790   6.7350 -3.840145 13.66578 
1 1 1    9   26  -32 o   72.089   4.0102  1631.70  166.823  1618.21  240.080  1644.31  231.975   71.668   5.8002   72.510   5.5393 -0.8420181 8.020381 
1 1 1    9   27  -32 o   17.275   5.6048 -51.1571  127.112 -110.1797  198.950 -10.4434  165.236   17.020   7.9874   17.529   7.8649 -0.5086460 11.20960 
1 1 1    9    0  -33 o   42.300   7.6644  637.977  160.635  675.058  213.906  590.020  243.259   45.010   9.3257   39.591   12.166 -0.000000 0.000000 
1 1 1    9    1  -33 o   39.083   6.6145  447.938  147.492  282.955  183.448  749.552  248.039   29.901   9.4722   48.264   9.2349 -18.36211 13.22900 
1 1 1    9    2  -33 o   47.177   7.5394  683.976  180.159  870.262  360.149  621.803  208.062   50.149   12.484   44.206   8.4576 5.943371 15.07880 
1 1 1    9    3  -33 o   21.073   6.8662 -107.9979  174.626 -74.0682  203.749 -201.8903  338.939   19.198   8.6629   22.948   10.655 -3.750517 13.73242 
1 1 1    9    4  -33 o  124.613   2.2027  4521.20  155.534  4578.00  245.539  4483.14  201.002  125.145   3.3972  124.081   2.8049 1.063889 4.405480 
1 1 1    9    5  -33 o   74.331   3.3880  1636.58  145.331  1587.88  207.401  1683.56  203.708   73.200   4.9058   75.462   4.6740 -2.261971 6.775959 
1 1 1    9    6  -33 o  121.701   2.2503  4316.15  156.340  4263.60  205.501  4388.35  240.886  120.923   2.9425  122.479   3.4054 -1.556129 4.500572 
1 1 1    9    7  -33 o   22.400   6.6588   58.317  144.833   65.039  221.611   53.306  191.353   23.178   9.7479   21.622   9.0738 1.556463 13.31754 
1 1 1    9    8  -33 o  105.183   2.6977  3328.50  156.260  3542.11  197.528  2971.24  255.448  110.109   3.1061  100.257   4.4117 9.851768 5.395439 
1 1 1    9    9  -33 o   88.371   3.3428  2321.71  169.575  2296.36  253.213  2342.31  228.340   87.791   4.9940   88.950   4.4448 -1.159088 6.685512 
1 1 1    9   10  -33 o   24.841   7.8743 -29.3536  232.753 -56.9370  350.634  -7.6244  311.208   25.066   11.333   24.616   10.936 0.4505901 15.74859 
1 1 1    9   11  -33 o   23.239   6.8889   49.275  154.908 -38.4424  198.314  186.562  248.100   19.424   8.6726   27.054   10.706 -7.629814 13.77780 
1 1 1    9   12  -33 o   35.231   7.0084  412.660  145.782  491.665  234.845  363.131  185.945   37.628   10.440   32.833   9.3535 4.795300 14.01689 
1 1 1    9   13  -33 o   42.471   5.7887  585.275  134.940  613.482  211.379  565.873  175.310   42.971   8.8131   41.972   7.5077 0.9989891 11.57735 
1 1 1    9   14  -33 o   38.438   6.7825  621.891  147.069  152.712  366.752  711.794  160.542   28.532   12.286   48.345   5.7498 -19.81301 13.56509 
1 1 1    9   15  -33 f   49.182   5.7405  786.754  159.240  744.705  227.001  827.495  223.441   47.325   8.6230   51.039   7.5801 -3.714497 11.48103 
1 1 1    9   16  -33 o   68.166   5.6094  1587.89  183.349  1290.11  357.165  1694.44  213.649   61.383   10.075   74.949   4.9357 -13.56593 11.21882 
1 1 1    9   17  -33 o   84.577   3.7676  2121.80  184.036   0.0000   0.0000  2121.80  184.036  ?   ?    84.577   3.7676      ?      ? 
1 1 1    9   18  -33 o   74.899   4.3196  1791.18  163.765  1858.83  193.260  1618.88  308.418   78.826   4.2451   70.971   7.5244 7.854721 8.639283 
1 1 1    9   19  -33 o   43.689   5.4646  624.478  134.882  579.712  186.970  673.057  194.772   41.604   8.0725   45.774   7.3675 -4.169998 10.92910 
1 1 1    9   20  -33 o   14.394   4.9909 -269.1676  128.829 -391.9290  238.549 -218.6209  153.071   15.548   7.6418   13.240   6.4218 2.308316 9.981772 
1 1 1    9   21  -33 o   54.746   6.5146  950.382  156.048  897.286  172.418  1190.83  366.913   53.900   5.5388   55.592   11.793 -1.692009 13.02919 
1 1 1    9   22  -33 o   63.868   5.4041  1464.44  159.241  1620.38  188.182  1071.15  298.846   73.190   4.4519   54.546   9.8487 18.64341 10.80820 
1 1 1    9   23  -33 o   17.625   5.6031 -69.3167  131.752 -376.9662  230.347   80.270  160.620   15.143   7.4556   20.108   8.3661 -4.965349 11.20612 
1 1 1    9   24  -33 o   75.197   5.2840  1866.93  210.038  1915.10  379.225  1845.61  252.265   73.799   8.8973   76.594   5.7027 -2.794571 10.56802 
1 1 1    9   25  -33 o   20.213   6.4288   46.384  129.509 -114.0148  337.166   74.146  140.270   21.530   10.194   18.897   7.8365 2.632921 12.85764 
1 1 1    9    0  -34 o   16.669   7.4987   42.891  161.282  104.412  216.115 -34.4394  242.299   17.917   10.959   15.422   10.239 -0.000000 0.000000 
1 1 1    9    1  -34 f   16.992   5.6667 -182.6602  141.578 -214.2663  184.650 -137.5740  220.539   15.423   7.3701   18.561   8.6098 -3.137096 11.33345 
1 1 1    9    2  -34 o   80.311   3.2255  1963.11  132.354  1811.70  249.460  2022.42  156.143   77.546   5.5700   83.075   3.2544 -5.529282 6.451051 
1 1 1    9    3  -34 o   97.299   2.6881  2810.98  148.851  2933.89  197.247  2648.40  226.860   99.976   3.4161   94.622   4.1513 5.353752 5.376128 
1 1 1    9    4  -34 o   61.665   4.1288  1124.40  133.978  1085.94  158.570  1220.34  250.475   60.434   4.5431   62.895   6.8954 -2.461208 8.257534 
1 1 1    9    5  -34 o   88.783   3.0267  2324.25  154.495  2472.26  232.119  2206.53  207.010   91.238   4.4050   86.329   4.1519 4.909294 6.053345 
1 1 1    9    6  -34 o   71.760   3.6286  1550.95  149.834  1649.31  208.260  1445.42  215.731   74.270   4.8552   69.251   5.3939 5.018906 7.257215 
1 1 1    9    7  -34 o   64.954   3.3873  1290.09  122.894  1125.56  192.322  1403.63  159.766   61.044   5.4551   68.865   4.0170 -7.821419 6.774535 
1 1 1    9    8  -34 o   81.703   4.2846  2046.75  187.783  2059.54  228.003  2019.80  331.085   82.967   4.7583   80.439   7.1267 2.528389 8.569219 
1 1 1    9    9  -34 o   55.047   4.2245  938.742  131.734  1011.76  175.206  843.772  199.810   57.896   5.2398   52.198   6.6280 5.698357 8.449024 
1 1 1    9   10  -34 o   36.879   6.2517  454.620  135.740  646.166  199.800  290.427  184.985   44.401   8.0895   29.357   9.5339 15.04336 12.50342 
1 1 1    9   11  -34 o   55.668   4.8274  961.274  153.518  919.573  201.186  1019.40  237.526   54.495   6.3923   56.840   7.2355 -2.345325 9.654757 
1 1 1    9   12  -34 o   28.748   7.0273  261.980  134.696  342.434  238.002  224.068  163.379   31.247   10.820   26.249   8.9701 4.997057 14.05454 
1 1 1    9   13  -34 o   82.625   4.2698  1978.50  174.631  1862.01  198.673  2374.33  366.226   78.888   4.3606   86.363   7.3424 -7.474899 8.539625 
1 1 1    9   14  -34 f   20.899   6.2819   24.998  133.157  161.344  210.754 -65.5909  171.788   24.654   9.8320   17.143   7.8216 7.510866 12.56371 
1 1 1    9   15  -34 o   93.037   3.8740  2520.55  174.318  2414.63  196.936  2903.85  374.635   90.144   3.7827   95.930   6.7619 -5.785950 7.748067 
1 1 1    9   16  -34 o   57.847   4.1410  1043.80  135.352  987.558  210.458  1083.47  176.756   56.058   6.5004   59.635   5.1320 -3.577106 8.282044 
1 1 1    9   17  -34 o   86.341   4.2741  2249.39  198.574  2534.10  359.087  2123.97  238.332   89.097   6.9783   83.585   4.9371 5.512390 8.548194 
1 1 1    9   18  -34 o   45.950   6.0486  836.711  132.985  478.605  252.738  973.817  156.384   35.273   11.112   56.628   4.7816 -21.35531 12.09727 
1 1 1    9   19  -34 f   70.233   4.7402  1550.12  185.952  1474.98  233.096  1681.65  308.385   68.716   5.8734   71.750   7.4419 -3.034103 9.480452 
1 1 1    9   20  -34 o   73.608   3.8540  1680.80  163.836  1661.46  231.320  1700.26  232.081   73.161   5.4746   74.055   5.4262 -0.8945618 7.708088 
1 1 1    9   21  -34 o   23.459   6.6605   70.512  145.525  352.886  238.752 -96.4119  183.566   30.188   10.804   16.729   7.7921 13.45833 13.32100 
1 1 1    9   22  -34 o   12.830   4.5416 -496.8347  143.263 -305.5745  194.375 -724.3053  211.978   14.118   6.9305   11.543   5.8713 2.574597 9.083110 
1 1 1    9   23  -34 o   23.648   6.3457  177.868  118.707  255.154  185.456  124.226  154.506   26.270   9.5073   21.027   8.4074 5.243107 12.69140 
1 1 1    9    0  -35 o   50.426   8.0213  857.226  188.556  793.760  224.374  1009.78  347.871   48.962   8.7728   51.890   13.432 -0.000000 0.000000 
1 1 1    9    1  -35 o   26.979   6.7512  234.911  136.188  300.246  173.671  130.577  219.466   29.743   9.1857   24.215   9.8963 5.528330 13.50242 
1 1 1    9    2  -35 o   65.548   4.0278  1308.90  151.733  1281.31  203.930  1343.11  227.101   64.934   5.4378   66.162   5.9433 -1.228043 8.055543 
1 1 1    9    3  -35 o   32.500   7.8057  256.264  147.206  161.132  163.385  666.489  339.282   23.688   8.8622   41.313   12.852 -17.62435 15.61148 
1 1 1    9    4  -35 o   14.942   5.1020 -249.9753  132.836 -204.9820  190.213 -292.8078  185.589   15.675   7.4877   14.209   6.9322 1.465864 10.20393 
1 1 1    9    5  -35 o   32.150   6.3347  354.848  122.297  329.291  176.542  378.428  169.577   30.956   9.2005   33.345   8.7102 -2.388393 12.66948 
1 1 1    9    6  -35 o   30.062   7.4679  308.848  158.468  321.250  251.989  300.734  203.814   30.520   11.077   29.604   10.019 0.9167023 14.93572 
1 1 1    9    7  -35 o   12.331   4.3561 -434.5103  126.601 -396.5833  184.718 -468.1082  173.857   12.961   6.4343   11.701   5.8738 1.259488 8.712192 
1 1 1    9    8  -35 o   32.076   8.6590  352.007  164.151  352.007  164.151   0.0000   0.0000   32.076   8.6590  ?   ?       ?      ? 
1 1 1    9    9  -35 o   61.848   3.8417  1173.47  135.945  1209.87  182.359  1127.93  203.959   63.194   4.9965   60.502   5.8369 2.691799 7.683414 
1 1 1    9   10  -35 o   66.556   3.8624  1354.13  148.059  1224.77  205.691  1493.22  213.288   63.136   5.6410   69.975   5.2776 -6.839470 7.724854 
1 1 1    9   11  -35 f   81.957   4.1589  2065.52  195.027  2165.35  299.280  1991.84  257.115   83.349   6.2171   80.565   5.5258 2.784660 8.317894 
1 1 1    9   12  -35 o   18.247   5.8352 -61.6649  131.546   33.513  199.868 -134.4013  174.724   20.623   8.9747   15.872   7.4602 4.751248 11.67046 
1 1 1    9   13  -35 o   45.294   5.4521  667.768  138.969  766.367  208.095  588.397  186.704   48.721   7.3955   41.868   8.0132 6.852829 10.90429 
1 1 1    9   14  -35 o   27.216   6.5985  242.259  141.285  392.186  187.122   43.446  215.480   33.112   9.3657   21.320   9.2975 11.79198 13.19698 
1 1 1    9   15  -35 o   25.725   6.4954  220.201  121.172  231.737  183.998  211.366  161.019   26.237   9.4737   25.214   8.8888 1.022057 12.99087 
1 1 1    9   16  -35 o   32.891   7.7824  383.033  148.885  477.248  352.763  362.613  164.229   33.734   12.930   32.048   8.6651 1.686234 15.56473 
1 1 1    9   17  -35 o   39.691   6.7361  727.067  160.507  187.125  374.831  848.305  177.615   27.429   12.102   51.953   5.9195 -24.52353 13.47223 
1 1 1    9   18  -35 o   52.956   5.7173  951.557  173.684  937.294  258.510  963.292  234.495   52.086   8.5936   53.827   7.5431 -1.741413 11.43451 
1 1 1    9   19  -35 o   16.660   5.5591 -134.2239  140.124 -194.9214  211.149 -86.4547  187.317   16.322   7.8215   16.998   7.9019 -0.6756725 11.11827 
1 1 1    9   20  -35 o   40.884   7.7394  682.880  183.915  686.522  232.311  676.765  301.037   42.624   9.6601   39.144   12.095 3.480251 15.47884 
1 1 1    9    0  -36 o   50.039   7.0696  798.101  192.561   0.0000   0.0000  798.101  192.561   50.039   7.0696   50.039   7.0696 -0.000000 0.000000 
1 1 1    9    1  -36 o   48.922   5.1026  776.134  130.189  753.226  226.527  787.432  159.087   47.138   8.6391   50.705   5.4325 -3.566502 10.20519 
1 1 1    9    2  -36 o   40.361   7.2492  613.958  151.465  638.985  168.383  507.852  346.711   45.141   6.4586   35.580   12.980 9.561356 14.49847 
1 1 1    9    3  -36 o   48.689   4.9926  749.275  139.645  653.819  189.306  863.224  206.832   45.186   7.2539   52.191   6.8618 -7.004532 9.985168 
1 1 1    9    4  -36 o   40.433   6.7080  551.010  147.154  493.091  179.676  669.000  256.452   38.061   8.3989   42.806   10.462 -4.744576 13.41606 
1 1 1    9    5  -36 o   41.389   7.5852  494.128  146.034  926.553  362.493  410.351  159.554   47.970   12.833   34.808   8.0905 13.16224 15.17046 
1 1 1    9    6  -36 o   67.684   4.4505  1443.50  172.060  1350.95  256.993  1518.69  231.637   65.246   6.8199   70.121   5.7197 -4.874756 8.900915 
1 1 1    9    7  -36 o   42.776   6.1851  696.756  138.816  815.630  167.940  440.350  246.647   51.399   5.6574   34.152   11.001 17.24713 12.37028 
1 1 1    9    8  -36 o   32.416   7.2822  346.429  152.103  565.808  256.035  226.779  189.086   38.609   10.968   26.223   9.5830 12.38665 14.56442 
1 1 1    9    9  -36 o   40.244   6.2951  542.622  133.156  506.249  158.973  628.130  243.746   39.159   7.2977   41.329   10.259 -2.169792 12.59018 
1 1 1    9   10  -36 o   21.381   6.5513   56.698  148.316 -92.6245  272.675  119.439  176.749   20.668   9.5824   22.095   8.9362 -1.427023 13.10260 
1 1 1    9   11  -36 o   53.201   4.8661  925.493  145.512  788.355  219.578  1032.88  194.303   48.874   7.7791   57.528   5.8481 -8.654247 9.732105 
1 1 1    9   12  -36 o   49.451   4.9315  789.696  136.919  787.868  219.294  790.864  175.282   48.757   7.7876   50.144   6.0525 -1.386757 9.862985 
1 1 1    9   13  -36 o   12.969   6.5108 -537.6245  213.816   0.0000   0.0000 -537.6245  213.816  ?   ?    12.969   6.5108      ?      ? 
1 1 1    9   14  -36 o   34.157   7.0751  466.137  156.611  306.854  258.191  558.856  196.989   28.727   11.049   39.586   8.8396 -10.85924 14.15021 
1 1 1    9   15  -36 o   27.267   7.8159  172.465  140.188  520.479  376.670  116.509  151.038   33.640   13.230   20.895   8.3264 12.74486 15.63170 
1 1 1    9   16  -36 o   27.241   6.9192  258.946  123.566  298.574  268.061  248.253  139.242   28.062   11.121   26.421   8.2358 1.641163 13.83833 
1 1 1    9   17  -36 o   22.267   6.9162   83.893  169.354  137.633  260.656   44.634  222.784   23.736   10.289   20.798   9.2453 2.937872 13.83244 
1 1 1    9    0  -37 o   13.309   6.4039 -79.8788  149.973 -118.6553  206.920 -36.9661  217.676   12.442   8.5869   14.175   9.5029 -0.000000 0.000000 
1 1 1    9    1  -37 o   34.849   8.4527  495.528  204.330  520.357  251.024  446.774  351.754   36.641   10.989   33.058   12.846 3.583145 16.90534 
1 1 1    9    2  -37 o   53.517   7.1981  1067.44  181.511  967.277  370.516  1099.07  208.206   47.905   13.041   59.129   6.0968 -11.22407 14.39621 
1 1 1    9    3  -37 o   24.627   6.7019  188.045  131.831  193.944  165.088  177.663  219.012   24.453   8.9516   24.801   9.9766 -0.3481102 13.40386 
1 1 1    9    4  -37 o   39.583   5.3813  525.668  118.472  561.064  171.674  493.485  163.699   40.933   7.5396   38.232   7.6803 2.701160 10.76255 
1 1 1    9    5  -37 o   15.491   5.3055 -233.3051  138.555 -228.4251  230.623 -236.0612  173.321   16.931   8.1294   14.051   6.8194 2.880447 10.61094 
1 1 1    9    6  -37 o   29.439   6.3695  320.081  126.113  188.269  198.421  409.417  163.352   24.653   9.6293   34.226   8.3403 -9.572554 12.73907 
1 1 1    9    7  -37 o   14.643   5.0261 -249.2809  133.100 -225.3532  191.510 -271.6378  185.117   15.110   7.2935   14.175   6.9173 0.9343262 10.05213 
1 1 1    9    8  -37 o   26.150   6.1950  244.694  112.574  166.037  192.193  285.775  138.895   23.698   9.4085   28.602   8.0617 -4.903784 12.38997 
1 1 1    9    9  -37 o   18.244   6.2806 -342.7862  184.424 -488.5011  223.699 -33.5962  325.856   13.770   6.8752   22.719   10.513 -8.949001 12.56128 
1 1 1    9   10  -37 o   36.636   5.5739  457.385  120.818  714.152  179.858  246.251  163.094   46.975   6.6294   26.298   8.9624 20.67727 11.14780 
1 1 1    9   11  -37 o   15.230   5.1963 -215.5185  137.122 -257.1084  204.144 -181.3295  185.092   15.167   7.3705   15.293   7.3267 -0.1250916 10.39250 
1 1 1    9   12  -37 o   28.088   6.3194  293.502  119.463  361.960  161.502  210.789  177.523   31.487   8.6262   24.688   9.2374 6.798338 12.63884 
1 1 1    9   13  -37 o   15.600   5.3387 -237.5692  146.701 -153.9555  214.940 -310.4865  200.721   16.926   8.0499   14.275   7.0147 2.651055 10.67738 
1 1 1    9    0  -38 o   49.177   9.3590  936.791  227.639  776.706  293.021  1180.48  361.526   43.017   13.446   55.336   13.022 -0.000000 0.000000 
1 1 1    9    1  -38 o   20.387   6.3286   22.377  148.216  141.775  209.803 -96.5812  209.416   23.034   9.5706   17.741   8.2832 5.292593 12.65729 
1 1 1    9    2  -38 o   24.219   6.9266  182.013  150.028  198.056  199.227  160.998  228.019   24.535   9.6301   23.903   9.9585 0.6313229 13.85319 
1 1 1    9    3  -38 o   23.140   6.7948  144.533  144.473  156.991  244.958  137.889  178.902   24.082   10.195   22.197   8.9860 1.885019 13.58966 
1 1 1    9    4  -38 o   27.229   7.1526  273.698  147.656  303.534  234.441  254.082  190.097   28.083   10.594   26.376   9.6132 1.707073 14.30523 
1 1 1    9    5  -38 o   24.927   7.2651  130.063  150.997  407.975  300.513   36.201  174.644   30.804   11.901   19.050   8.3371 11.75414 14.53028 
1 1 1    9    6  -38 o   26.894   7.7874  131.649  147.534  616.879  371.465   40.773  160.757   35.184   13.320   18.604   8.0723 16.57984 15.57489 
1 1 1    9    7  -38 o   52.523   5.6993  945.618  171.185  1054.17  265.393  868.276  224.016   54.684   8.4032   50.363   7.7017 4.321156 11.39870 
1 1 1   10    0    0 o  423.086   2.6631 51706.48  650.590 52426.79  921.362 50990.18  918.789  426.026   3.7453  420.146   3.7871 -0.000000 0.000000 
1 1 1   10    1    0 o  256.375   1.6903 18951.45  235.295 18884.39  287.191 19088.39  410.373  255.699   1.9450  257.050   2.7650 -0.000000 0.000000 
1 1 1   10    2    0 o  221.511   1.5639 14138.58  190.554 14290.08  323.891 14058.38  235.652  222.405   2.5223  220.617   1.8498 -0.000000 0.000000 
1 1 1   10    3    0 o  413.346   2.5802 49346.65  615.901 49346.65  615.901   0.0000   0.0000  413.346   2.5802  413.346   2.5802 -0.000000 0.000000 
1 1 1   10    4    0 o  439.892   2.7471 55897.96  697.776 56376.25  988.646 55423.23  984.972  441.767   3.8756  438.016   3.8943 -0.000000 0.000000 
1 1 1   10    5    0 o  141.762   1.9281  5786.94  141.634  5757.74  166.729  5862.62  268.440  141.158   2.0461  142.366   3.2687 -0.000000 0.000000 
1 1 1   10    6    0 o  379.255   2.6648 41550.45  583.506 40837.10  822.142 42274.53  828.297  375.974   3.7871  382.537   3.7499 -0.000000 0.000000 
1 1 1   10    7    0 o  100.406   2.5264  2916.92  146.295  2916.92  146.295   0.0000   0.0000  100.406   2.5264  100.406   2.5264 -0.000000 0.000000 
1 1 1   10    8    0 o  444.215   2.8803 57006.86  738.760 57890.66  1045.96 56127.10  1043.57  447.653   4.0464  440.777   4.1002 -0.000000 0.000000 
1 1 1   10    9    0 o  627.146   4.0565 113641.60  1469.00 113955.40  2077.21 113327.70  2077.75  628.013   5.7281  626.279   5.7454 -0.000000 0.000000 
1 1 1   10   10    0 o  112.827   2.3216  3686.25  150.969  3615.74  213.677  3756.52  213.329  111.744   3.3175  113.910   3.2486 -0.000000 0.000000 
1 1 1   10   11    0 o  117.616   3.1020  4009.04  209.933  3834.62  292.679  4193.88  301.289  114.968   4.4227  120.265   4.3506 -0.000000 0.000000 
1 1 1   10   12    0 o  292.743   2.1669 24761.06  366.230 24371.89  518.849 25147.47  517.011  290.449   3.0938  295.038   3.0349 -0.000000 0.000000 
1 1 1   10   13    0 o  306.947   2.1433 27220.18  379.838 26895.07  538.075 27543.12  536.274  305.118   3.0541  308.776   3.0078 -0.000000 0.000000 
1 1 1   10   14    0 o  179.657   1.8209  9335.66  188.541  8700.92  266.139  9975.18  267.138  173.513   2.6572  185.801   2.4904 -0.000000 0.000000 
1 1 1   10   15    0 o  217.648   1.8801 13649.38  235.899 12732.38  324.590 14675.92  343.429  209.917   2.6783  225.379   2.6392 -0.000000 0.000000 
1 1 1   10   16    0 o   44.419   6.5698  799.694  133.423  1172.66  174.856  279.876  206.428   63.158   4.8598   25.679   12.208 -0.000000 0.000000 
1 1 1   10   17    0 o  131.061   3.0590  4969.22  231.264  4969.22  231.264   0.0000   0.0000  131.061   3.0590  131.061   3.0590 -0.000000 0.000000 
1 1 1   10   18    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   19    0 o  202.606   2.2205 11861.00  259.640 11546.66  363.584 12188.13  370.899  199.865   3.1516  205.347   3.1290 -0.000000 0.000000 
1 1 1   10   20    0 o  160.180   2.3889  7470.83  219.246  8029.39  300.785  6837.63  320.253  166.638   3.1278  153.723   3.6117 -0.000000 0.000000 
1 1 1   10   21    0 o  241.176   2.0348 16775.53  282.983 16171.22  388.591 17457.85  412.912  236.561   2.8452  245.792   2.9097 -0.000000 0.000000 
1 1 1   10   22    0 o   75.738   3.2964  1724.23  134.484  1525.65  224.618  1835.19  167.905   72.030   5.4720   79.445   3.6774 -0.000000 0.000000 
1 1 1   10   23    0 o  163.202   1.9628  7696.05  184.944  7696.05  184.944   0.0000   0.0000  163.202   1.9628  163.202   1.9628 -0.000000 0.000000 
1 1 1   10   24    0 o  256.940   1.9824 19078.32  294.091 19207.17  416.428 18950.12  415.387  257.806   2.7975  256.074   2.8094 -0.000000 0.000000 
1 1 1   10   25    0 o  159.226   1.8748  7342.08  171.863  7141.67  250.142  7521.27  236.532  157.155   2.7579  161.297   2.5405 -0.000000 0.000000 
1 1 1   10   26    0 o  100.285   2.5186  2930.92  140.145  2866.95  230.073  2968.66  176.713   99.344   4.0250  101.226   3.0288 -0.000000 0.000000 
1 1 1   10   27    0 o   57.296   3.9426  962.466  129.048   0.0000   0.0000  962.466  129.048   57.296   3.9426   57.296   3.9426 -0.000000 0.000000 
1 1 1   10   28    0 o  200.545   1.8819 11628.71  217.598 11592.06  315.727 11661.86  300.311  200.238   2.7312  200.852   2.5898 -0.000000 0.000000 
1 1 1   10   29    0 o  100.549   2.9659  2929.42  171.897   0.0000   0.0000  2929.42  171.897  100.549   2.9659  100.549   2.9659 -0.000000 0.000000 
1 1 1   10   30    0 o   87.773   2.8438  2233.43  143.818   0.0000   0.0000  2233.43  143.818   87.773   2.8438   87.773   2.8438 -0.000000 0.000000 
1 1 1   10   31    0 o   75.795   3.8460  1440.37  150.084  875.789  179.025  2775.54  275.309   54.035   5.9172   97.555   4.9148 -0.000000 0.000000 
1 1 1   10   32    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   33    0 f   15.636   10.194 -20.1308  223.923   0.0000   0.0000 -20.1308  223.923   15.636   10.194   15.636   10.194 -0.000000 0.000000 
1 1 1   10   34    0 o  182.446   2.9353  9629.31  309.116   0.0000   0.0000  9629.31  309.116  182.446   2.9353  182.446   2.9353 -0.000000 0.000000 
1 1 1   10   35    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   36    0 o   26.168   12.375  295.506  211.836  295.506  211.836   0.0000   0.0000   26.168   12.375   26.168   12.375 -0.000000 0.000000 
1 1 1   10   37    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   38    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   39    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   40    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   41    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   42    0 o   42.491   13.266  688.162  285.489   0.0000   0.0000  688.162  285.489   42.491   13.266   42.491   13.266 -0.000000 0.000000 
1 1 1   10   43    0 o   28.936   14.183  398.499  281.316   0.0000   0.0000  398.499  281.316   28.936   14.183   28.936   14.183 -0.000000 0.000000 
1 1 1   10   44    0 o   13.395   9.4065 -255.6074  279.166   0.0000   0.0000 -255.6074  279.166   13.395   9.4065   13.395   9.4065 -0.000000 0.000000 
1 1 1   10   45    0 o   40.567   13.580  674.730  283.856   0.0000   0.0000  674.730  283.856   40.567   13.580   40.567   13.580 -0.000000 0.000000 
1 1 1   10   46    0 o   16.568   11.013 -14.4031  281.690   0.0000   0.0000 -14.4031  281.690   16.568   11.013   16.568   11.013 -0.000000 0.000000 
1 1 1   10   47    0 o   45.038   8.2326  677.484  192.984   0.0000   0.0000  677.484  192.984   45.038   8.2326   45.038   8.2326 -0.000000 0.000000 
1 1 1   10   48    0 o   63.014   8.3705  1298.92  289.610   0.0000   0.0000  1298.92  289.610   63.014   8.3705   63.014   8.3705 -0.000000 0.000000 
1 1 1   10   49    0 o   39.983   13.743  705.654  285.423   0.0000   0.0000  705.654  285.423   39.983   13.743   39.983   13.743 -0.000000 0.000000 
1 1 1   10    0   -1 o  1013.93   5.7085 297088.50  3342.37 297047.09  4726.37 297129.81  4727.28  1013.86   8.0728  1014.01   8.0732 -0.000000 0.000000 
1 1 1   10    1   -1 o  638.852   2.6613 117883.80  981.939 117670.00  1387.09 118098.60  1390.26  638.272   3.7628  639.433   3.7646 -1.161255 5.322670 
1 1 1   10    2   -1 o  695.668   2.3654 139777.59  950.349 141051.20  1345.64 138510.30  1342.36  698.830   3.3340  692.506   3.3563 6.323792 4.730810 
1 1 1   10    3   -1 o  453.684   1.7175 59735.68  423.624 60320.53  519.336 58572.79  732.317  457.026   1.9675  450.342   2.8156 6.684479 3.434938 
1 1 1   10    4   -1 o  180.978   1.1717  9478.48  119.405  9549.23  153.040  9368.41  190.893  181.844   1.4572  180.112   1.8351 1.731705 2.343299 
1 1 1   10    5   -1 o  288.007   1.5725 23955.41  261.559 23760.01  369.871 24150.87  369.929  286.832   2.2327  289.182   2.2149 -2.349823 3.145008 
1 1 1   10    6   -1 o  430.050   2.0615 53417.33  511.964 54278.37  724.120 52556.73  723.934  433.516   2.8921  426.584   2.9384 6.931641 4.122941 
1 1 1   10    7   -1 o  187.862   1.4523 10200.20  157.387  9996.67  226.731 10389.47  218.646  186.051   2.1100  189.672   1.9960 -3.620865 2.904508 
1 1 1   10    8   -1 o  568.572   2.7805 93158.66  863.968 92701.95  1060.83 94058.36  1488.92  566.533   3.2422  570.612   4.5180 -4.078430 5.560927 
1 1 1   10    9   -1 o  205.569   1.9746 12203.99  234.439   0.0000   0.0000 12203.99  234.439  ?   ?   205.569   1.9746      ?      ? 
1 1 1   10   10   -1 o  258.364   1.7255 19263.61  247.833 19332.73  410.853 19224.07  310.732  258.724   2.7496  258.004   2.0853 0.7197876 3.450905 
1 1 1   10   11   -1 o  335.252   2.1776 32592.75  397.380 32855.75  487.527 32072.13  685.932  337.286   2.5027  333.217   3.5643 4.069397 4.355177 
1 1 1   10   12   -1 o  301.154   1.5793 26192.72  274.682 26166.59  387.120 26219.21  389.812  301.003   2.2268  301.306   2.2401 -0.3022766 3.158599 
1 1 1   10   13   -1 o  220.255   1.3428 14008.70  170.767 14072.81  244.735 13947.87  238.391  220.746   1.9196  219.764   1.8782 0.9816895 2.685649 
1 1 1   10   14   -1 o  119.261   2.3237  4112.04  159.837  4361.42  226.136  3863.07  225.952  122.879   3.1865  115.644   3.3831 7.235153 4.647430 
1 1 1   10   15   -1 o  569.854   3.3385 93837.98  1098.70 94848.91  1554.51 92828.88  1553.10  572.923   4.6980  566.785   4.7445 6.137451 6.676965 
1 1 1   10   16   -1 o  176.509   1.8652  8984.96  189.762  8792.72  259.096  9207.38  278.703  174.476   2.5712  178.541   2.7028 -4.064621 3.730479 
1 1 1   10   17   -1 o  225.341   1.8692 14600.76  242.555 13168.34  331.699 16247.02  355.596  213.515   2.6899  237.167   2.5961 -23.65182 3.738314 
1 1 1   10   18   -1 o   46.697   5.2682  712.330  126.344  324.981  184.719  1052.85  173.193   33.044   9.2910   60.350   4.9690 -27.30544 10.53632 
1 1 1   10   19   -1 o  223.451   1.6198 14399.50  200.296 14343.34  249.529 14501.24  335.848  222.847   1.9388  224.054   2.5954 -1.206970 3.239593 
1 1 1   10   20   -1 o  104.201   2.3671  3139.72  142.193  3096.79  206.698  3178.29  195.918  103.522   3.4572  104.880   3.2344 -1.357651 4.734289 
1 1 1   10   21   -1 f  103.706   2.1141  3118.89  123.125  3058.21  197.869  3157.23  157.286  102.873   3.3304  104.539   2.6051 -1.666801 4.228226 
1 1 1   10   22   -1 o  282.464   2.1847 23055.95  356.397 22833.07  502.877 23280.86  505.175  281.092   3.0976  283.836   3.0817 -2.743988 4.369441 
1 1 1   10   23   -1 o   82.328   1.7247  1955.39   81.933  2024.89  119.010  1892.76  112.968   83.716   2.4614   80.939   2.4166 2.776840 3.449462 
1 1 1   10   24   -1 o   38.650   3.4904  425.321   77.224  489.232  119.201  379.096  101.374   41.109   5.0206   36.190   4.8501 4.918804 6.980718 
1 1 1   10   25   -1 o  195.518   1.2943 11039.89  146.125 10792.64  204.739 11296.61  208.619  193.287   1.8341  197.749   1.8266 -4.461700 2.588516 
1 1 1   10   26   -1 o   59.121   2.9949  1036.35   97.164  1099.00  122.055  927.959  160.547   61.643   3.4283   56.598   4.9115 5.045429 5.989706 
1 1 1   10   27   -1 f  328.588   1.9478 31300.89  345.830 31461.61  421.013 30967.51  606.382  329.955   2.2093  327.222   3.2086 2.733307 3.895679 
1 1 1   10   28   -1 o  209.990   1.3843 12736.19  167.770 12596.81  232.477 12887.67  242.355  208.794   1.9279  211.187   1.9870 -2.392685 2.768549 
1 1 1   10   29   -1 o   67.204   3.4138  1306.96  132.501  1306.96  132.501   0.0000   0.0000   67.204   3.4138  ?   ?       ?      ? 
1 1 1   10   30   -1 o  129.581   2.6808  4855.49  200.630  4855.49  200.630   0.0000   0.0000  129.581   2.6808  ?   ?       ?      ? 
1 1 1   10   31   -1 o  151.222   1.4390  6609.47  125.420  6615.80  171.998  6602.29  183.282  151.303   1.9683  151.141   2.0997 0.1624908 2.877988 
1 1 1   10   32   -1 o  103.298   3.1048  3081.30  183.270  3174.52  282.190  3013.31  241.018  104.618   4.6704  101.979   4.0922 2.638855 6.209537 
1 1 1   10   33   -1 o   79.364   4.5165  1826.83  207.019   0.0000   0.0000  1826.83  207.019  ?   ?    79.364   4.5165      ?      ? 
1 1 1   10   34   -1 o   87.786   2.5285  2242.75  115.291  2256.77  136.243  2207.40  216.368   88.329   2.6707   87.243   4.2942 1.086479 5.056931 
1 1 1   10   35   -1 o  131.015   3.3919  4971.62  256.656  4971.62  256.656   0.0000   0.0000  131.015   3.3919  ?   ?       ?      ? 
1 1 1   10   36   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   37   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   38   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   39   -1 o  139.203   4.2089  5645.59  338.378   0.0000   0.0000  5645.59  338.378  ?   ?   139.203   4.2089      ?      ? 
1 1 1   10   40   -1 o  119.979   4.6314  4212.59  320.923   0.0000   0.0000  4212.59  320.923  ?   ?   119.979   4.6314      ?      ? 
1 1 1   10   41   -1 o  133.707   4.2129  5234.36  325.323   0.0000   0.0000  5234.36  325.323  ?   ?   133.707   4.2129      ?      ? 
1 1 1   10   42   -1 o   72.739   4.3192  1556.14  181.448   0.0000   0.0000  1556.14  181.448  ?   ?    72.739   4.3192      ?      ? 
1 1 1   10   43   -1 o   47.556   9.4494  744.555  250.387   0.0000   0.0000  744.555  250.387  ?   ?    47.556   9.4494      ?      ? 
1 1 1   10   44   -1 o   29.640   7.9129  271.596  184.203  289.281  276.504  257.484  246.991   30.333   11.490   28.947   10.883 1.386917 15.82581 
1 1 1   10   45   -1 o   62.138   5.5799  1244.72  198.771  1404.18  281.498  1086.16  280.714   66.559   7.3229   57.717   8.4212 8.842163 11.15986 
1 1 1   10   46   -1 f   71.767   4.2920  1617.61  166.624  1536.46  285.557  1659.50  205.173   69.443   7.1200   74.091   4.7948 -4.648163 8.583984 
1 1 1   10   47   -1 o   62.204   4.8262  1173.27  166.525  1466.73  287.798  1025.57  204.175   67.226   7.4125   57.181   6.1825 10.04485 9.652390 
1 1 1   10   48   -1 o   60.500   5.8030  1148.35  202.762   0.0000   0.0000  1148.35  202.762  ?   ?    60.500   5.8030      ?      ? 
1 1 1   10   49   -1 f   64.852   5.4524  1322.95  204.219   0.0000   0.0000  1322.95  204.219  ?   ?    64.852   5.4524      ?      ? 
1 1 1   10    0   -2 o  634.016   3.2265 115874.60  1114.12 116845.20  1932.36 115391.30  1363.58  635.967   5.2618  632.065   3.7357 -0.000000 0.000000 
1 1 1   10    1   -2 o  477.562   2.3642 66066.75  563.414 65481.90  1128.14 66261.10  650.323  476.128   4.1026  478.996   2.3508 -2.868286 4.728330 
1 1 1   10    2   -2 o  625.947   2.3619 113083.00  836.997 113573.20  1322.94 112755.80  1080.81  627.066   3.6529  624.828   2.9951 2.238281 4.723804 
1 1 1   10    3   -2 o  374.384   1.3085 40514.55  279.749 40228.69  428.232 40727.38  369.486  373.230   1.9866  375.539   1.7036 -2.309418 2.617025 
1 1 1   10    4   -2 o  653.776   2.0928 123328.60  782.036 124254.20  1197.25 122639.90  1032.81  655.907   3.1605  651.645   2.7443 4.261353 4.185665 
1 1 1   10    5   -2 o  146.702   1.3507  6273.98  107.711  6039.04  185.353  6393.77  132.352  144.607   2.2194  148.796   1.5401 -4.189682 2.701386 
1 1 1   10    6   -2 o  269.083   1.4455 20912.78  224.622 20633.14  318.550 21189.32  316.784  267.294   2.0635  270.873   2.0249 -3.579010 2.891087 
1 1 1   10    7   -2 o   39.000   4.9736  449.023  107.702  456.267  140.807  438.808  167.197   39.736   6.1355   38.265   7.8295 1.471691 9.947122 
1 1 1   10    8   -2 o  187.296   1.4163 10140.75  151.887 10054.28  229.923 10207.71  202.316  186.586   2.1336  188.006   1.8633 -1.420120 2.832677 
1 1 1   10    9   -2 o  177.917   1.9347  9141.60  198.801   0.0000   0.0000  9141.60  198.801  ?   ?   177.917   1.9347      ?      ? 
1 1 1   10   10   -2 o  252.411   1.7581 18313.74  243.554 18125.68  300.033 18677.11  417.050  250.525   2.0736  254.297   2.8396 -3.772476 3.516174 
1 1 1   10   11   -2 o  279.045   1.8396 22630.10  277.662 22083.63  484.210 22897.82  338.922  276.512   3.0320  281.578   2.0841 -5.066010 3.679216 
1 1 1   10   12   -2 o  455.677   2.9915 59973.45  787.281 59973.45  787.281   0.0000   0.0000  455.677   2.9915  ?   ?       ?      ? 
1 1 1   10   13   -2 o  163.149   1.9339  7685.59  182.193  7860.53  260.098  7517.05  255.288  164.971   2.7299  161.326   2.7399 3.644714 3.867750 
1 1 1   10   14   -2 o  195.612   1.6364 11041.21  174.244 11081.12  302.269 11021.35  213.239  195.872   2.6720  195.352   1.8900 0.5194092 3.272875 
1 1 1   10   15   -2 o  331.498   2.2832 31742.18  437.097 31277.56  616.207 32212.71  620.108  329.056   3.2424  333.940   3.2152 -4.883759 4.566314 
1 1 1   10   16   -2 o  278.446   1.7396 22324.21  262.796 22192.33  320.246 22596.13  459.841  277.201   2.0003  279.692   2.8467 -2.491058 3.479239 
1 1 1   10   17   -2 o  107.782   1.9949  3326.13  117.757  3264.59  144.451  3448.05  203.318  106.314   2.3526  109.250   3.2223 -2.936325 3.989725 
1 1 1   10   18   -2 f  272.809   2.0120 21497.71  316.988 21655.11  451.106 21344.17  445.523  273.795   2.8528  271.823   2.8379 1.972290 4.023939 
1 1 1   10   19   -2 o   58.370   4.2584  1040.45  119.870  885.819  242.027  1090.70  137.982   55.306   7.5771   61.435   3.8889 -6.128120 8.516792 
1 1 1   10   20   -2 o  270.913   1.7265 21201.87  255.710 21199.80  439.319 21202.93  314.471  270.888   2.8080  270.938   2.0097 -0.4977417E-01 3.453099 
1 1 1   10   21   -2 o  242.009   1.7179 16931.92  226.999 16881.33  390.717 16957.69  278.897  241.721   2.7987  242.298   1.9930 -0.5768433 3.435853 
1 1 1   10   22   -2 o  163.904   1.9747  7813.96  164.114  7871.07  191.222  7654.26  319.754  165.072   2.0058  162.736   3.4021 2.335922 3.949350 
1 1 1   10   23   -2 o  358.079   2.3433 37069.45  484.392 37333.08  676.450 36791.99  693.954  359.391   3.2590  356.766   3.3679 2.625153 4.686564 
1 1 1   10   24   -2 o  183.231   1.4964  9613.75  142.292  9894.76  270.513  9506.25  167.307  185.048   2.5312  181.414   1.5968 3.633911 2.992759 
1 1 1   10   25   -2 o   49.055   5.0920  696.999  144.264  696.999  144.264   0.0000   0.0000   49.055   5.0920  ?   ?       ?      ? 
1 1 1   10   26   -2 o  181.085   1.9195  9474.04  200.755  9474.04  200.755   0.0000   0.0000  181.085   1.9195  ?   ?       ?      ? 
1 1 1   10   27   -2 o  234.242   1.9947 15864.97  269.826 16049.98  380.835 15678.49  382.353  235.615   2.7987  232.868   2.8430 2.747055 3.989343 
1 1 1   10   28   -2 o  201.754   1.6111 11606.29  157.485 11476.55  178.744 12056.47  332.953  199.315   1.5528  204.194   2.8233 -4.878510 3.222119 
1 1 1   10   29   -2 o   80.491   2.1930  1860.16   96.559  1917.55  166.891  1831.28  118.385   81.395   3.5502   79.586   2.5756 1.808838 4.386030 
1 1 1   10   30   -2 o   73.118   3.4947  1547.46  147.578   0.0000   0.0000  1547.46  147.578  ?   ?    73.118   3.4947      ?      ? 
1 1 1   10   31   -2 o   65.785   3.0450  1234.63  114.512  1391.76  178.132  1123.96  149.496   69.288   4.4514   62.282   4.1561 7.006374 6.089976 
1 1 1   10   32   -2 f  142.750   2.4163  5872.17  196.231  6047.63  307.121  5751.11  255.091  144.517   3.6796  140.983   3.1329 3.534225 4.832666 
1 1 1   10   33   -2 o   65.318   3.4901  1186.17  118.157  1124.93  137.631  1357.83  230.415   62.316   3.8241   68.321   5.8395 -6.004578 6.980193 
1 1 1   10   34   -2 o   92.384   2.7917  2483.33  145.834  2522.69  188.793  2425.10  229.633   93.332   3.5025   91.437   4.3484 1.894241 5.583496 
1 1 1   10   35   -2 o   86.894   3.2063  2186.30  160.911   0.0000   0.0000  2186.30  160.911  ?   ?    86.894   3.2063      ?      ? 
1 1 1   10   36   -2 o  104.913   2.9124  3186.52  176.468   0.0000   0.0000  3186.52  176.468  ?   ?   104.913   2.9124      ?      ? 
1 1 1   10   37   -2 o  120.191   2.8426  4310.10  167.089  4417.79  192.247  3977.52  337.847  123.531   2.6946  116.852   5.0061 6.678627 5.685241 
1 1 1   10   38   -2 o   77.147   7.1574  1755.36  318.901   0.0000   0.0000  1755.36  318.901  ?   ?    77.147   7.1574      ?      ? 
1 1 1   10   39   -2 o  118.127   4.2966  4067.51  293.127   0.0000   0.0000  4067.51  293.127  ?   ?   118.127   4.2966      ?      ? 
1 1 1   10   40   -2 o  124.419   4.0755  4517.30  292.853   0.0000   0.0000  4517.30  292.853  ?   ?   124.419   4.0755      ?      ? 
1 1 1   10   41   -2 o  174.160   3.3665  8837.91  338.624   0.0000   0.0000  8837.91  338.624  ?   ?   174.160   3.3665      ?      ? 
1 1 1   10   42   -2 o   88.513   5.2437  2324.94  268.059   0.0000   0.0000  2324.94  268.059  ?   ?    88.513   5.2437      ?      ? 
1 1 1   10   43   -2 o   29.135   9.6436  271.635  188.934   0.0000   0.0000  271.635  188.934  ?   ?    29.135   9.6436      ?      ? 
1 1 1   10   44   -2 o   30.837   9.1902  319.482  175.967   0.0000   0.0000  319.482  175.967  ?   ?    30.837   9.1902      ?      ? 
1 1 1   10   45   -2 f   73.290   4.5800  1610.78  193.864   0.0000   0.0000  1610.78  193.864  ?   ?    73.290   4.5800      ?      ? 
1 1 1   10   46   -2 o   69.763   4.9008  1474.55  197.458   0.0000   0.0000  1474.55  197.458  ?   ?    69.763   4.9008      ?      ? 
1 1 1   10   47   -2 f   17.862   6.0389 -216.9409  164.081 -111.9398  276.215 -274.1980  203.969   20.521   9.5581   15.204   7.3834 5.316648 12.07777 
1 1 1   10   48   -2 o   53.642   6.8744  1052.49  202.454  660.664  280.096  1481.15  292.962   40.475   11.462   66.809   7.5926 -26.33433 13.74884 
1 1 1   10   49   -2 o   38.710   8.4308  654.887  206.954  620.270  285.978  692.949  299.871   37.714   11.811   39.707   12.034 -1.993000 16.86151 
1 1 1   10    0   -3 o  989.577   4.1196 282887.50  2354.10 278722.91  3321.32 287091.81  3337.14  982.256   5.8551  996.899   5.7966 -0.000000 0.000000 
1 1 1   10    1   -3 o  458.319   1.9756 60665.68  522.935 60478.80  738.503 60853.64  740.584  457.611   2.7943  459.027   2.7935 -1.415894 3.951173 
1 1 1   10    2   -3 o  546.385   1.7847 86188.39  557.627 86428.15  850.968 86007.96  738.205  547.046   2.6934  545.723   2.3422 1.323486 3.569355 
1 1 1   10    3   -3 o  622.784   2.6179 112029.30  941.598 111776.60  1332.81 112281.00  1330.43  622.083   3.7097  623.485   3.6947 -1.402527 5.235704 
1 1 1   10    4   -3 o  479.892   2.7618 66511.63  765.468 66511.63  765.468   0.0000   0.0000  479.892   2.7618  ?   ?       ?      ? 
1 1 1   10    5   -3 o  481.393   2.3284 66966.53  614.289 67041.00  757.651 66823.66  1049.44  481.798   2.7228  480.988   3.7778 0.8097839 4.656754 
1 1 1   10    6   -3 o  449.891   2.6935 58612.20  659.918 58013.00  1139.76 58914.38  809.389  448.138   4.4037  451.644   3.1030 -3.506653 5.387094 
1 1 1   10    7   -3 o  169.204   1.9349  8269.62  189.059  8201.02  268.963  8336.62  265.806  168.510   2.7636  169.898   2.7089 -1.387848 3.869852 
1 1 1   10    8   -3 o  407.521   2.4526 48085.06  544.432 47615.45  939.963 48322.15  667.867  406.004   4.0086  409.037   2.8271 -3.032990 4.905257 
1 1 1   10    9   -3 o   92.634   2.7454  2478.32  146.880   0.0000   0.0000  2478.32  146.880  ?   ?    92.634   2.7454      ?      ? 
1 1 1   10   10   -3 o  237.104   1.9675 16231.64  269.363 16018.88  375.858 16456.29  386.227  235.507   2.7633  238.700   2.8016 -3.193176 3.935094 
1 1 1   10   11   -3 o  438.134   2.1108 55444.95  534.111 55713.07  754.748 55176.00  755.947  439.196   2.9755  437.073   2.9947 2.122589 4.221578 
1 1 1   10   12   -3 o  344.876   1.6791 34349.73  334.444 34102.44  471.284 34600.61  474.685  343.626   2.3747  346.127   2.3746 -2.500732 3.358256 
1 1 1   10   13   -3 o  443.563   2.4158 56877.52  584.460 56969.67  717.344 56695.58  1008.03  444.120   2.7967  443.006   3.9398 1.113647 4.831532 
1 1 1   10   14   -3 o  553.060   3.4248 88382.19  1093.90 87652.64  1540.46 89124.27  1553.65  550.758   4.8429  555.362   4.8438 -4.604065 6.849561 
1 1 1   10   15   -3 o  425.068   2.3801 52110.20  550.197 51945.03  672.486 52444.60  956.866  424.076   2.7457  426.060   3.8886 -1.983978 4.760283 
1 1 1   10   16   -3 o  295.424   2.2297 25211.18  380.276 25200.17  530.079 25222.86  545.851  295.359   3.1075  295.490   3.1985 -0.1299744 4.459449 
1 1 1   10   17   -3 o  187.088   2.1969 10116.05  236.234 10158.72  319.161 10064.34  351.321  187.529   2.9468  186.648   3.2591 0.8803558 4.393796 
1 1 1   10   18   -3 o  233.467   1.9756 15742.86  266.380   0.0000   0.0000 15742.86  266.380  ?   ?   233.467   1.9756      ?      ? 
1 1 1   10   19   -3 o  148.351   1.8067  6355.45  152.307  6368.66  237.773  6346.26  198.338  148.478   2.7728  148.225   2.3169 0.2525330 3.613336 
1 1 1   10   20   -3 o   90.540   2.0084  2368.95  104.856  2357.24  152.397  2379.48  144.496   90.327   2.9213   90.754   2.7568 -0.4275055 4.016701 
1 1 1   10   21   -3 o  343.895   1.9953 34371.97  372.597 34772.59  456.460 33572.04  645.009  346.948   2.2780  340.842   3.2766 6.105957 3.990683 
1 1 1   10   22   -3 o  317.403   1.9148 29070.62  334.681 28982.46  414.600 29235.53  567.040  316.740   2.2664  318.065   3.0868 -1.325439 3.829509 
1 1 1   10   23   -3 o  156.228   1.9772  6941.14  162.910  6784.64  193.159  7326.78  303.209  153.247   2.1824  159.209   3.2975 -5.961349 3.954326 
1 1 1   10   24   -3 o  283.015   1.5004 23139.50  245.109 23175.49  352.701 23105.88  340.874  283.225   2.1562  282.804   2.0870 0.4213867 3.000797 
1 1 1   10   25   -3 o  364.731   2.1610 38297.95  430.982 38951.80  743.198 37966.66  529.016  367.003   3.5063  362.459   2.5271 4.543579 4.322094 
1 1 1   10   26   -3 o  154.281   2.0157  6877.31  179.603  6877.31  179.603   0.0000   0.0000  154.281   2.0157  ?   ?       ?      ? 
1 1 1   10   27   -3 f  179.974   1.6468  9341.21  163.494  9293.74  202.840  9429.23  276.227  179.345   1.9583  180.604   2.6482 -1.258469 3.293635 
1 1 1   10   28   -3 o   99.585   1.8758  2865.00  107.463  2842.62  145.419  2891.93  159.507   99.162   2.5392  100.008   2.7616 -0.8463058 3.751510 
1 1 1   10   29   -3 o  197.988   1.9598 11338.76  224.036 11119.63  318.415 11553.58  315.277  196.089   2.8116  199.887   2.7310 -3.797821 3.919643 
1 1 1   10   30   -3 o  194.926   1.7212 10991.80  180.639 10965.05  319.562 11004.35  218.982  194.711   2.8417  195.140   1.9430 -0.4292755 3.442470 
1 1 1   10   31   -3 o  140.633   2.1172  5707.06  171.562  5524.45  233.409  5921.66  253.028  138.198   2.9244  143.068   3.0623 -4.870377 4.234300 
1 1 1   10   32   -3 o   89.259   2.8629  2323.64  146.502  2477.14  199.917  2145.59  215.307   92.486   3.7427   86.033   4.3332 6.453407 5.725797 
1 1 1   10   33   -3 o  134.348   1.8576  5222.45  140.928  5208.10  224.036  5231.85  181.289  134.174   2.8911  134.522   2.3334 -0.3481293 3.715294 
1 1 1   10   34   -3 o   93.496   2.3901  2529.92  127.550  2539.24  196.110  2523.08  167.919   93.626   3.6268   93.366   3.1141 0.2601242 4.780249 
1 1 1   10   35   -3 o  139.387   2.0727  5632.38  166.486  5785.34  229.876  5463.64  241.444  141.393   2.8150  137.381   3.0430 4.011810 4.145379 
1 1 1   10   36   -3 o  145.227   1.6410  6150.91  126.295  5972.78  228.346  6229.42  151.591  143.651   2.7523  146.803   1.7879 -3.151474 3.282074 
1 1 1   10   37   -3 f   78.954   3.7828  1809.31  172.496   0.0000   0.0000  1809.31  172.496  ?   ?    78.954   3.7828      ?      ? 
1 1 1   10   38   -3 o   20.447   6.3977 -31.2335  137.361   12.349  159.525 -156.2090  270.136   19.415   8.2234   21.479   9.8030 -2.063236 12.79543 
1 1 1   10   39   -3 o  106.733   3.3741  3309.24  207.987   0.0000   0.0000  3309.24  207.987  ?   ?   106.733   3.3741      ?      ? 
1 1 1   10   40   -3 o   54.971   8.3850  912.512  266.209   0.0000   0.0000  912.512  266.209  ?   ?    54.971   8.3850      ?      ? 
1 1 1   10   41   -3 o  122.787   4.1365  4414.33  293.338   0.0000   0.0000  4414.33  293.338  ?   ?   122.787   4.1365      ?      ? 
1 1 1   10   42   -3 o   90.994   5.2184  2458.10  274.242   0.0000   0.0000  2458.10  274.242  ?   ?    90.994   5.2184      ?      ? 
1 1 1   10   43   -3 o   59.289   5.8118  1059.82  199.008   0.0000   0.0000  1059.82  199.008  ?   ?    59.289   5.8118      ?      ? 
1 1 1   10   44   -3 o   20.931   9.1352   13.799  208.398   0.0000   0.0000   13.799  208.398  ?   ?    20.931   9.1352      ?      ? 
1 1 1   10   45   -3 o   60.516   5.5785  1118.62  194.971   0.0000   0.0000  1118.62  194.971  ?   ?    60.516   5.5785      ?      ? 
1 1 1   10   46   -3 o   53.758   6.8402  915.083  212.375   0.0000   0.0000  915.083  212.375  ?   ?    53.758   6.8402      ?      ? 
1 1 1   10   47   -3 o   49.061   6.8566  769.966  194.279   0.0000   0.0000  769.966  194.279  ?   ?    49.061   6.8566      ?      ? 
1 1 1   10   48   -3 o   42.227   8.9542  636.183  211.601   0.0000   0.0000  636.183  211.601  ?   ?    42.227   8.9542      ?      ? 
1 1 1   10   49   -3 o   72.878   5.2532  1816.66  216.280  2051.34  294.488  1541.84  318.673   79.399   6.4219   66.356   8.3153 13.04279 10.50646 
1 1 1   10    0   -4 o  321.260   2.2195 29809.04  411.764 29809.04  411.764   0.0000   0.0000  321.260   2.2195  321.260   2.2195 -0.000000 0.000000 
1 1 1   10    1   -4 o  793.370   3.4989 181837.41  1603.22 181576.70  2264.40 182099.30  2270.19  792.800   4.9454  793.940   4.9510 -1.139771 6.997806 
1 1 1   10    2   -4 o  410.399   2.3204 48641.46  549.992   0.0000   0.0000 48641.46  549.992  ?   ?   410.399   2.3204      ?      ? 
1 1 1   10    3   -4 o  165.225   1.8202  7794.73  146.374  7719.56  166.505  8050.41  307.096  163.496   1.7633  166.953   3.1849 -3.456818 3.640455 
1 1 1   10    4   -4 o  624.430   3.5678 112204.20  1217.43 114003.00  2101.59 111295.70  1493.55  628.138   5.7931  620.721   4.1662 7.416992 7.135585 
1 1 1   10    5   -4 o  130.697   1.3074  4945.89   97.733  4836.97  148.038  5030.04  130.120  129.418   1.9806  131.977   1.7071 -2.558884 2.614758 
1 1 1   10    6   -4 o  121.067   1.7278  4239.39  120.609  4380.39  167.669  4088.20  173.620  123.156   2.3573  118.977   2.5267 4.179398 3.455563 
1 1 1   10    7   -4 f  249.930   1.7372 18067.00  237.530 18124.36  292.563 17956.06  406.863  250.517   2.0221  249.342   2.8253 1.174927 3.474368 
1 1 1   10    8   -4 o  321.167   2.0906 29796.15  364.126 29805.21  444.237 29777.59  635.652  321.251   2.3943  321.083   3.4278 0.1677551 4.181233 
1 1 1   10    9   -4 o  402.018   2.4315 46853.98  531.501 47196.52  651.250 46170.76  919.750  404.243   2.7895  399.793   3.9834 4.450134 4.862941 
1 1 1   10   10   -4 o  234.240   2.1278 15847.53  287.789 15844.85  402.433 15850.33  411.715  234.220   2.9750  234.260   3.0431 -0.3941345E-01 4.255682 
1 1 1   10   11   -4 o  522.314   2.9903 78963.49  847.562 79254.70  1035.57 78372.65  1475.09  523.813   3.4231  520.816   4.9040 2.997131 5.980532 
1 1 1   10   12   -4 o  211.270   1.8473 12890.48  225.408 12890.48  225.408   0.0000   0.0000  211.270   1.8473  ?   ?       ?      ? 
1 1 1   10   13   -4 o  345.258   2.2904 34431.03  456.693 33957.35  643.907 34910.52  647.834  342.868   3.2517  347.648   3.2266 -4.779541 4.580847 
1 1 1   10   14   -4 o  270.078   1.7771 21142.97  260.468 21289.74  318.515 20846.68  452.544  271.507   2.0312  268.650   2.9167 2.857300 3.554296 
1 1 1   10   15   -4 o  427.171   2.4389 52877.25  565.984 53198.45  692.695 52232.13  981.704  429.157   2.7947  425.185   3.9978 3.972076 4.877769 
1 1 1   10   16   -4 o  159.110   2.0477  7311.68  188.166  7311.68  188.166   0.0000   0.0000  159.110   2.0477  ?   ?       ?      ? 
1 1 1   10   17   -4 o  256.556   2.1057 19034.58  311.658 19651.54  435.561 18387.31  446.131  260.823   2.8915  252.288   3.0618 8.534424 4.211333 
1 1 1   10   18   -4 o  184.592   1.5652  9831.53  162.038  9885.61  262.996  9798.43  205.723  184.996   2.4615  184.189   1.9339 0.8075104 3.130335 
1 1 1   10   19   -4 o  240.284   1.9857 16678.72  275.553 16941.39  391.149 16419.93  388.248  242.162   2.7967  238.405   2.8197 3.756836 3.971478 
1 1 1   10   20   -4 o   33.784   5.5664  331.465  103.912  290.994  130.471  401.666  171.835   31.072   7.3800   36.496   8.3353 -5.423325 11.13289 
1 1 1   10   21   -4 o  108.417   1.8717  3438.34  102.301  3484.05  119.015  3309.04  200.192  109.827   1.8763  107.007   3.2393 2.820229 3.743459 
1 1 1   10   22   -4 o  225.964   1.6845 14767.92  208.323 14803.20  256.646 14699.78  356.685  226.377   1.9630  225.552   2.7381 0.8253784 3.369070 
1 1 1   10   23   -4 f  135.308   1.7993  5288.50  140.611  5288.50  140.611   0.0000   0.0000  135.308   1.7993  ?   ?       ?      ? 
1 1 1   10   24   -4 o  197.382   1.5597 11266.93  169.242 11221.71  287.096 11291.02  209.517  197.063   2.5225  197.702   1.8349 -0.6391907 3.119327 
1 1 1   10   25   -4 o  211.969   1.6612 12933.66  193.777 12820.88  239.527 13147.27  329.660  210.658   1.9688  213.280   2.6763 -2.621613 3.322423 
1 1 1   10   26   -4 o   96.706   1.9435  2713.92   95.569  2681.28  185.783  2725.67  111.446   96.284   3.3409   97.127   1.9867 -0.8426895 3.887013 
1 1 1   10   27   -4 o  168.160   1.7541  8186.30  167.560  8244.17  218.486  8103.66  261.097  168.898   2.2398  167.422   2.7002 1.475525 3.508296 
1 1 1   10   28   -4 o  135.884   1.7732  5334.94  139.156  5334.94  139.156   0.0000   0.0000  135.884   1.7732  ?   ?       ?      ? 
1 1 1   10   29   -4 o   53.522   4.8666  844.118  147.630  778.109  226.667  892.748  194.554   51.633   7.6011   55.412   6.0793 -3.778927 9.733175 
1 1 1   10   30   -4 o   85.393   3.4094  2112.94  168.038  2055.08  232.565  2176.14  243.065   84.174   4.7839   86.611   4.8592 -2.437706 6.818887 
1 1 1   10   31   -4 o   91.769   2.0939  2436.40  110.933  2425.98  158.940  2446.29  154.904   91.575   3.0052   91.962   2.9165 -0.3871460 4.187751 
1 1 1   10   32   -4 o  196.261   2.1783 11147.99  242.610 11161.99  315.201 11127.64  380.022  196.448   2.7781  196.074   3.3559 0.3741150 4.356595 
1 1 1   10   33   -4 o  134.171   1.9580  5202.82  151.727   0.0000   0.0000  5202.82  151.727  ?   ?   134.171   1.9580      ?      ? 
1 1 1   10   34   -4 o   35.639   6.7641  386.228  144.357  294.588  203.164  479.669  205.152   31.690   9.9597   39.588   9.1552 -7.898470 13.52825 
1 1 1   10   35   -4 o  104.432   3.7658  3194.95  224.638  3340.40  300.598  3010.98  338.065  107.209   4.8548  101.654   5.7582 5.555153 7.531674 
1 1 1   10   36   -4 o   65.327   4.5324  1240.26  171.003   0.0000   0.0000  1240.26  171.003  ?   ?    65.327   4.5324      ?      ? 
1 1 1   10   37   -4 o  106.674   3.1158  3471.01  171.484  3703.22  205.373  2936.35  311.639  113.039   3.1458  100.309   5.3793 12.72993 6.231628 
1 1 1   10   38   -4 o   37.486   6.2003  412.640  134.236   0.0000   0.0000  412.640  134.236  ?   ?    37.486   6.2003      ?      ? 
1 1 1   10   39   -4 o  105.729   2.3284  3237.49  142.182   0.0000   0.0000  3237.49  142.182  ?   ?   105.729   2.3284      ?      ? 
1 1 1   10   40   -4 o   73.911   3.6100  1591.33  154.101   0.0000   0.0000  1591.33  154.101  ?   ?    73.911   3.6100      ?      ? 
1 1 1   10   41   -4 o   80.053   4.5204  1882.38  208.995   0.0000   0.0000  1882.38  208.995  ?   ?    80.053   4.5204      ?      ? 
1 1 1   10   42   -4 o   69.042   5.5571  1421.83  221.585   0.0000   0.0000  1421.83  221.585  ?   ?    69.042   5.5571      ?      ? 
1 1 1   10   43   -4 o   76.669   4.6383  1746.52  205.382   0.0000   0.0000  1746.52  205.382  ?   ?    76.669   4.6383      ?      ? 
1 1 1   10   44   -4 o   61.916   6.0920  1174.04  217.844   0.0000   0.0000  1174.04  217.844  ?   ?    61.916   6.0920      ?      ? 
1 1 1   10   45   -4 o   42.731   8.4319  611.649  200.699   0.0000   0.0000  611.649  200.699  ?   ?    42.731   8.4319      ?      ? 
1 1 1   10   46   -4 f   19.842   8.7956  -0.4380  200.266   0.0000   0.0000  -0.4380  200.266  ?   ?    19.842   8.7956      ?      ? 
1 1 1   10   47   -4 o   60.970   5.5478  1150.40  195.351   0.0000   0.0000  1150.40  195.351  ?   ?    60.970   5.5478      ?      ? 
1 1 1   10   48   -4 o   38.534   8.7937  530.690  191.388   0.0000   0.0000  530.690  191.388  ?   ?    38.534   8.7937      ?      ? 
1 1 1   10   49   -4 o   21.653   9.0909  116.249  192.203   0.0000   0.0000  116.249  192.203  ?   ?    21.653   9.0909      ?      ? 
1 1 1   10    0   -5 o  247.411   2.0130 17716.80  285.165 17426.80  430.096 17944.29  380.934  245.592   3.0333  249.229   2.6471 -0.000000 0.000000 
1 1 1   10    1   -5 o  317.061   1.7504 29135.70  282.057 29250.51  328.762 28815.54  549.012  318.256   1.7886  315.865   3.0095 2.391113 3.500898 
1 1 1   10    2   -5 o  415.584   2.2857 49731.53  519.210 49418.09  637.397 50349.66  895.107  413.655   2.6680  417.512   3.7121 -3.856567 4.571432 
1 1 1   10    3   -5 o  523.496   2.6474 79513.54  755.334 78073.52  1299.82 80247.72  928.123  519.880   4.3291  527.112   3.0487 -7.232727 5.294874 
1 1 1   10    4   -5 o  371.238   2.3313 39801.85  499.846   0.0000   0.0000 39801.85  499.846  ?   ?   371.238   2.3313      ?      ? 
1 1 1   10    5   -5 o   91.022   2.1057  2439.89  105.638  2563.56  132.940  2228.01  174.006   94.215   2.4431   87.828   3.4304 6.386826 4.211477 
1 1 1   10    6   -5 o  438.853   2.0666 55624.98  523.765 55717.58  737.618 55530.82  743.851  439.222   2.9078  438.484   2.9373 0.7374878 4.133143 
1 1 1   10    7   -5 o  133.419   2.0255  5093.19  149.943  4973.29  186.571  5311.88  251.977  131.226   2.4617  135.613   3.2172 -4.387848 4.050951 
1 1 1   10    8   -5 o  329.852   2.0380 31528.88  364.246 31728.61  444.689 31121.65  634.965  331.454   2.3230  328.250   3.3493 3.205048 4.076078 
1 1 1   10    9   -5 o  314.455   1.6173 28556.90  293.720 28436.61  414.033 28678.77  416.747  313.789   2.2846  315.122   2.2899 -1.333160 3.234642 
1 1 1   10   10   -5 o   88.667   2.4935  2215.60  117.980  2131.67  140.672  2414.63  216.630   85.910   2.8352   91.425   4.1027 -5.515213 4.987009 
1 1 1   10   11   -5 o  178.126   1.6689  9148.39  158.899  9123.57  191.255  9203.72  285.513  177.740   1.8631  178.510   2.7693 -0.7699280 3.337740 
1 1 1   10   12   -5 o  296.225   1.4838 25342.38  253.858 25319.73  358.447 25365.17  359.574  296.092   2.0961  296.358   2.1008 -0.2654724 2.967668 
1 1 1   10   13   -5 o   90.227   2.6546  2351.31  138.331   0.0000   0.0000  2351.31  138.331  ?   ?    90.227   2.6546      ?      ? 
1 1 1   10   14   -5 o  531.163   2.9105 81166.23  842.905 80467.42  1031.57 82570.15  1462.15  527.783   3.3842  534.543   4.7361 -6.760498 5.820987 
1 1 1   10   15   -5 o  152.981   1.7973  6773.27  149.928  6801.12  184.075  6718.39  258.417  153.455   2.0770  152.507   2.9339 0.9475403 3.594659 
1 1 1   10   16   -5 o  265.755   2.1578 20402.20  331.189 20540.11  468.535 20264.47  468.209  266.653   3.0424  264.857   3.0609 1.795776 4.315647 
1 1 1   10   17   -5 o  195.962   1.7019 10993.97  177.837 11346.22  322.953 10840.67  213.047  198.186   2.8215  193.739   1.9040 4.447250 3.403857 
1 1 1   10   18   -5 o  292.879   2.1736 24745.25  367.016 25365.14  537.939 24205.42  502.000  296.302   3.1435  289.455   3.0029 6.846680 4.347277 
1 1 1   10   19   -5 o   39.523   6.3971  419.132  133.255  625.932  250.859  337.842  157.279   45.567   9.8216   33.479   8.1994 12.08849 12.79428 
1 1 1   10   20   -5 o  208.560   2.1119 12552.70  254.011 12839.93  370.973 12299.17  348.528  210.801   3.0471  206.319   2.9249 4.481949 4.223712 
1 1 1   10   21   -5 o   73.904   2.0472  1565.46   85.688  1641.71  136.595  1515.98  110.031   75.372   3.1379   72.437   2.6301 2.935692 4.094352 
1 1 1   10   22   -5 o   27.705   5.0246  231.288   80.840  242.449  112.906  219.546  115.800   28.357   6.9484   27.054   7.2600 1.303043 10.04926 
1 1 1   10   23   -5 o  263.806   2.0584 20102.28  311.678 20211.91  468.091 20014.97  417.750  264.440   3.0649  263.172   2.7485 1.267853 4.116770 
1 1 1   10   24   -5 o   75.171   3.0371  1639.96  125.117  1650.59  154.542  1619.73  213.153   75.550   3.5418   74.792   4.9346 0.7587891 6.074116 
1 1 1   10   25   -5 o   85.614   2.5874  2118.46  127.939   0.0000   0.0000  2118.46  127.939  ?   ?    85.614   2.5874      ?      ? 
1 1 1   10   26   -5 o  193.253   1.9084 10803.65  211.428 10859.55  282.727 10732.73  318.461  193.833   2.5255  192.673   2.8619 1.160416 3.816897 
1 1 1   10   27   -5 o  121.345   2.4085  4285.64  167.185  4051.04  250.439  4474.23  224.545  118.313   3.6651  124.376   3.1259 -6.063210 4.817087 
1 1 1   10   28   -5 o  168.086   2.0133  8168.33  195.130  8135.63  268.205  8205.11  284.421  167.735   2.7686  168.436   2.9238 -0.7015533 4.026584 
1 1 1   10   29   -5 o  106.916   2.0769  3271.66  123.149  3428.91  207.374  3186.00  153.060  108.857   3.2985  104.975   2.5246 3.882225 4.153735 
1 1 1   10   30   -5 o   91.598   2.7735  2426.48  146.721   0.0000   0.0000  2426.48  146.721  ?   ?    91.598   2.7735      ?      ? 
1 1 1   10   31   -5 o  152.862   1.8193  6688.88  138.001  6889.27  281.241  6625.33  158.379  154.304   3.1558  151.420   1.8110 2.883957 3.638569 
1 1 1   10   32   -5 o  141.656   1.9788  5796.49  159.958  5853.62  246.515  5754.94  210.224  142.241   3.0008  141.072   2.5802 1.169418 3.957549 
1 1 1   10   33   -5 o  124.515   2.4222  4467.69  173.468  4269.50  233.031  4714.01  259.786  121.443   3.3224  127.588   3.5255 -6.145370 4.844350 
1 1 1   10   34   -5 o  175.795   2.1322  8934.29  216.477   0.0000   0.0000  8934.29  216.477  ?   ?   175.795   2.1322      ?      ? 
1 1 1   10   35   -5 o   88.392   3.5760  2292.65  157.885  2231.50  313.808  2313.38  182.693   87.435   6.2143   89.348   3.5404 -1.913033 7.152066 
1 1 1   10   36   -5 o   52.054   3.8726  798.878  115.001  713.950  170.459  869.826  155.799   49.440   5.9698   54.669   4.9345 -5.229259 7.745144 
1 1 1   10   37   -5 o   78.322   2.8580  1747.63  126.147  1937.51  206.134  1633.95  159.502   81.616   4.3731   75.029   3.6809 6.587006 5.716019 
1 1 1   10   38   -5 o   21.419   6.7061 -58.1859  147.239 -85.7583  173.190   13.697  279.640   17.635   7.9696   25.203   10.788 -7.567665 13.41213 
1 1 1   10   39   -5 o   44.502   4.0859  538.106   97.083  702.605  183.724  474.379  114.352   48.746   6.5260   40.258   4.9182 8.487831 8.171747 
1 1 1   10   40   -5 o   47.296   6.9192  664.458  165.544  623.112  191.574  786.349  328.932   45.614   7.2719   48.978   11.774 -3.363785 13.83848 
1 1 1   10   41   -5 o  100.195   2.5506  2915.60  147.597   0.0000   0.0000  2915.60  147.597  ?   ?   100.195   2.5506      ?      ? 
1 1 1   10   42   -5 o   95.096   3.1725  2606.30  163.541  2491.53  197.635  2855.58  291.266   92.183   3.7122   98.008   5.1457 -5.825394 6.344923 
1 1 1   10   43   -5 o   54.776   6.5147  917.718  206.096   0.0000   0.0000  917.718  206.096  ?   ?    54.776   6.5147      ?      ? 
1 1 1   10   44   -5 o   62.819   5.3256  1193.83  193.217   0.0000   0.0000  1193.83  193.217  ?   ?    62.819   5.3256      ?      ? 
1 1 1   10   45   -5 o   28.918   10.052  285.356  205.523   0.0000   0.0000  285.356  205.523  ?   ?    28.918   10.052      ?      ? 
1 1 1   10   46   -5 o   21.691   9.2398   71.039  203.373   0.0000   0.0000   71.039  203.373  ?   ?    21.691   9.2398      ?      ? 
1 1 1   10   47   -5 o   90.991   4.4176  2501.78  232.151   0.0000   0.0000  2501.78  232.151  ?   ?    90.991   4.4176      ?      ? 
1 1 1   10   48   -5 o   15.978   7.5289 -126.3052  179.944   0.0000   0.0000 -126.3052  179.944  ?   ?    15.978   7.5289      ?      ? 
1 1 1   10    0   -6 o  496.827   3.2825 71311.33  941.646 70261.75  1328.81 72370.06  1334.59  493.152   4.6664  500.501   4.6179 -0.000000 0.000000 
1 1 1   10    1   -6 o  409.463   2.2388 48365.24  502.275 48611.00  860.100 48238.05  618.738  410.240   3.6302  408.687   2.6214 1.553558 4.477691 
1 1 1   10    2   -6 o  591.989   2.4632 101222.60  842.165 101188.80  1189.41 101256.50  1192.60  591.890   3.4794  592.088   3.4876 -0.1978760 4.926403 
1 1 1   10    3   -6 o  127.172   2.2956  4724.47  152.429  4545.89  282.083  4798.12  181.155  125.450   3.8933  128.895   2.4335 -3.444267 4.591283 
1 1 1   10    4   -6 o  390.651   2.2893 44041.60  483.653 44180.79  849.659 43974.88  588.259  391.094   3.7616  390.209   2.6103 0.8856506 4.578592 
1 1 1   10    5   -6 o   68.453   2.5417  1347.27   98.550  1384.75  156.384  1322.58  126.925   69.238   3.9108   67.669   3.2477 1.569160 5.083455 
1 1 1   10    6   -6 o  322.874   1.9207 30139.45  337.675 30202.15  413.776 30014.45  584.277  323.385   2.2154  322.363   3.1383 1.022247 3.841460 
1 1 1   10    7   -6 o  309.451   1.8893 27580.47  315.962 27441.47  383.718 27873.18  556.834  308.252   2.1554  310.651   3.1036 -2.399261 3.778629 
1 1 1   10    8   -6 o  291.547   2.2488 24563.94  378.343 23395.17  534.875 25734.31  535.242  284.601   3.2541  298.492   3.1048 -13.89185 4.497650 
1 1 1   10    9   -6 o  118.992   2.6584  4044.96  171.150  3963.98  207.339  4218.14  303.214  117.150   3.0645  120.834   4.3448 -3.684303 5.316811 
1 1 1   10   10   -6 o  267.901   2.0854 20732.46  322.553 21432.41  457.202 20038.87  455.122  272.404   2.9061  263.398   2.9918 9.006348 4.170867 
1 1 1   10   11   -6 o  144.581   2.5306  6040.59  211.204  6126.94  295.482  5950.39  302.002  145.638   3.5129  143.523   3.6434 2.115417 5.061108 
1 1 1   10   12   -6 f  102.346   1.8837  3025.46  111.318  3021.01  158.993  3029.74  155.908  102.272   2.6918  102.420   2.6357 -0.1479340 3.767322 
1 1 1   10   13   -6 o  240.612   2.0686 16720.38  287.466 16720.38  287.466   0.0000   0.0000  240.612   2.0686  ?   ?       ?      ? 
1 1 1   10   14   -6 o  303.217   2.1903 26554.13  383.560 26554.13  383.560   0.0000   0.0000  303.217   2.1903  ?   ?       ?      ? 
1 1 1   10   15   -6 o  367.085   2.4916 38936.88  528.151 39434.01  743.200 38429.68  750.692  369.454   3.4831  364.715   3.5639 4.738953 4.983255 
1 1 1   10   16   -6 o  310.773   2.2122 27900.52  397.046 27812.56  560.093 27989.38  562.933  310.281   3.1255  311.265   3.1314 -0.9845581 4.424311 
1 1 1   10   17   -6 o  210.057   1.8936 12668.53  218.091 12991.25  374.733 12503.24  268.190  212.057   3.0597  208.057   2.2319 3.999847 3.787258 
1 1 1   10   18   -6 o  130.038   2.6557  4877.54  144.113  4900.00  367.159  4873.45  156.687  130.181   4.8834  129.894   2.0886 0.2864227 5.311303 
1 1 1   10   19   -6 f  726.482   4.1376 152677.30  1734.89 151562.09  2406.18 153884.80  2503.72  723.744   5.7565  729.220   5.9449 -5.476257 8.275191 
1 1 1   10   20   -6 o  174.795   2.0822  8784.05  207.361  8569.27  270.329  9091.07  323.211  172.220   2.7178  177.370   3.1552 -5.150208 4.164324 
1 1 1   10   21   -6 o  278.252   1.7863 22363.60  287.067 22363.60  287.067   0.0000   0.0000  278.252   1.7863  ?   ?       ?      ? 
1 1 1   10   22   -6 o  281.201   1.8455 22893.08  282.195 22715.76  489.134 22981.55  345.490  280.354   3.0209  282.049   2.1209 -1.694275 3.691087 
1 1 1   10   23   -6 o   57.905   5.1509  1059.26  101.222  898.055  299.363  1080.07  107.557   54.683   9.8409   61.128   3.0466 -6.445450 10.30172 
1 1 1   10   24   -6 o  167.019   2.1913  8016.00  208.811  8367.66  324.344  7767.07  272.886  170.116   3.3012  163.923   2.8824 6.193710 4.382512 
1 1 1   10   25   -6 o  209.026   2.1320 12644.09  256.578 12477.35  376.732 12788.35  350.408  207.729   3.1402  210.323   2.8847 -2.594574 4.264042 
1 1 1   10   26   -6 o  108.718   2.5027  3322.20  120.696  3573.53  289.605  3269.37  132.777  111.071   4.5146  106.366   2.1614 4.705849 5.005310 
1 1 1   10   27   -6 o   66.311   3.5408  1252.88  133.497  1157.55  171.747  1398.41  212.188   63.195   4.7056   69.426   5.2919 -6.230392 7.081500 
1 1 1   10   28   -6 o  155.858   2.4476  7087.93  218.334  7618.80  297.112  6464.69  321.921  162.282   3.1700  149.434   3.7301 12.84807 4.895142 
1 1 1   10   29   -6 o  110.156   2.7978  3513.67  177.959  3619.95  253.698  3410.72  249.695  111.798   3.9291  108.515   3.9842 3.283524 5.595676 
1 1 1   10   30   -6 o  123.368   1.9765  4401.81  140.764  4583.36  200.077  4223.87  198.078  125.890   2.7518  120.847   2.8380 5.043602 3.953093 
1 1 1   10   31   -6 o  117.676   2.8464  4017.17  188.372  3988.60  302.503  4035.26  240.745  117.290   4.4656  118.063   3.5307 -0.7728500 5.692788 
1 1 1   10   32   -6 o   72.847   3.5121  1482.34  131.653  1669.33  258.872  1417.11  152.902   75.749   5.9173   69.946   3.7850 5.803238 7.024294 
1 1 1   10   33   -6 o  213.168   1.9306 13096.47  224.942 13293.31  387.988 12996.80  276.077  214.312   3.1346  212.024   2.2545 2.287643 3.861202 
1 1 1   10   34   -6 f  207.849   1.8818 12585.03  200.031 12310.06  384.351 12687.17  234.255  206.193   3.2275  209.506   1.9360 -3.313004 3.763649 
1 1 1   10   35   -6 f   78.307   4.5574  1795.90  203.547  1766.82  312.047  1817.44  268.544   77.677   6.9557   78.937   5.8905 -1.259613 9.114824 
1 1 1   10   36   -6 o  125.069   2.5079  4599.07  142.304  4434.17  322.594  4638.91  158.565  123.493   4.5230  126.645   2.1679 -3.151749 5.015707 
1 1 1   10   37   -6 o   25.313   7.3265   67.769  157.551  153.771  290.217   31.833  187.602   29.109   11.560   21.516   9.0043 7.592686 14.65299 
1 1 1   10   38   -6 o   62.177   6.3580  1211.51  205.495  1288.87  253.298  1062.55  351.477   66.114   6.6337   58.239   10.849 7.874313 12.71607 
1 1 1   10   39   -6 o   61.434   5.8838  1103.53  205.772  946.926  265.386  1339.61  325.842   56.159   8.1822   66.709   8.4574 -10.55002 11.76756 
1 1 1   10   40   -6 o   83.028   3.1790  1948.83  135.568  2179.03  266.610  1868.55  157.441   85.956   5.3705   80.099   3.4033 5.857567 6.358050 
1 1 1   10   41   -6 o   20.296   5.7977   66.962  105.105   58.782  150.792   74.691  146.580   20.115   8.2099   20.477   8.1885 -0.3625851 11.59542 
1 1 1   10   42   -6 o  120.270   2.7344  4213.71  189.933   0.0000   0.0000  4213.71  189.933  ?   ?   120.270   2.7344      ?      ? 
1 1 1   10   43   -6 o   29.400   9.6103  283.713  187.847   0.0000   0.0000  283.713  187.847  ?   ?    29.400   9.6103      ?      ? 
1 1 1   10   44   -6 o   44.985   8.3016  667.902  207.740   0.0000   0.0000  667.902  207.740  ?   ?    44.985   8.3016      ?      ? 
1 1 1   10   45   -6 o   39.396   6.9114  501.939  128.722  479.269  141.268  612.834  312.447   39.267   6.2291   39.526   12.340 -0.2586861 13.82275 
1 1 1   10   46   -6 o   70.056   4.9287  1491.85  199.417   0.0000   0.0000  1491.85  199.417  ?   ?    70.056   4.9287      ?      ? 
1 1 1   10   47   -6 o   67.300   4.4795  1486.50  133.573  1523.68  149.339  1337.78  298.681   71.508   3.6160   63.093   8.1968 8.415398 8.958940 
1 1 1   10   48   -6 o   29.566   9.2184  324.223  174.437   0.0000   0.0000  324.223  174.437  ?   ?    29.566   9.2184      ?      ? 
1 1 1   10    0   -7 o  105.498   3.2101  3226.93  194.588  3411.30  281.581  3058.40  269.213  108.396   4.5157  102.599   4.5638 -0.000000 0.000000 
1 1 1   10    1   -7 o  160.796   1.5039  7481.82  135.274  7527.33  171.470  7406.81  220.133  161.447   1.8390  160.145   2.3801 1.301254 3.007729 
1 1 1   10    2   -7 o  288.272   1.9800 23926.31  305.210 23804.74  367.247 24197.78  548.777  287.100   2.2148  289.444   3.2828 -2.344055 3.960089 
1 1 1   10    3   -7 o  492.502   2.5080 69932.37  613.173 70313.42  1241.80 69809.49  705.130  493.356   4.3582  491.647   2.4833 1.709442 5.016025 
1 1 1   10    4   -7 o  222.849   2.2516 14342.41  289.794 14342.41  289.794   0.0000   0.0000  222.849   2.2516  ?   ?       ?      ? 
1 1 1   10    5   -7 o  305.901   2.0414 27021.82  360.619 26718.85  505.388 27336.09  514.725  304.155   2.8770  307.647   2.8969 -3.492737 4.082827 
1 1 1   10    6   -7 o  262.707   2.1499 19930.02  326.124 19779.23  455.758 20088.26  466.862  261.689   3.0155  263.724   3.0652 -2.035522 4.299839 
1 1 1   10    7   -7 o  248.138   2.0793 17783.19  297.973 17553.77  420.137 18015.40  422.671  246.528   2.9508  249.749   2.9303 -3.220871 4.158597 
1 1 1   10    8   -7 o   16.062   7.3404 -104.9742  152.091 -104.9742  152.091   0.0000   0.0000   16.062   7.3404  ?   ?       ?      ? 
1 1 1   10    9   -7 o  369.064   2.5610 39348.27  545.777 40274.68  773.038 38427.55  770.658  373.397   3.5846  364.732   3.6585 8.665466 5.121936 
1 1 1   10   10   -7 o  305.693   2.2651 26992.09  399.897 26934.46  564.072 27050.31  567.020  305.365   3.1984  306.021   3.2082 -0.6557617 4.530143 
1 1 1   10   11   -7 o  463.370   2.3611 61930.97  599.750 62309.70  1026.12 61734.46  739.147  464.422   3.8256  462.318   2.7683 2.104279 4.722133 
1 1 1   10   12   -7 o  193.692   2.1887 10859.63  234.210 10915.49  291.835 10758.54  392.575  194.402   2.5993  192.983   3.5222 1.418900 4.377489 
1 1 1   10   13   -7 o  231.106   1.8620 15339.35  226.971 15214.08  270.034 15640.89  418.946  229.518   2.0371  232.694   3.1174 -3.176132 3.723959 
1 1 1   10   14   -7 o  153.161   2.2549  6697.07  166.190  6634.01  188.167  6920.71  354.360  151.556   2.1497  154.766   3.9645 -3.209503 4.509801 
1 1 1   10   15   -7 o  206.412   1.8293 12331.14  204.913 12378.56  250.391 12235.00  356.561  207.023   2.0942  205.800   2.9999 1.223038 3.658527 
1 1 1   10   16   -7 o  387.968   2.1903 43450.07  466.610 43373.61  576.326 43595.55  794.983  387.499   2.5752  388.437   3.5437 -0.9384155 4.380548 
1 1 1   10   17   -7 o  175.341   2.2387  8880.42  226.711  8880.42  226.711   0.0000   0.0000  175.341   2.2387  ?   ?       ?      ? 
1 1 1   10   18   -7 o  274.465   1.4354 21716.96  222.744 21556.90  286.539 21961.39  354.094  273.196   1.8160  275.734   2.2235 -2.538239 2.870898 
1 1 1   10   19   -7 o  254.881   1.8217 18745.01  221.033 18808.50  474.960 18727.46  249.723  255.125   3.2234  254.637   1.6981 0.4880371 3.643341 
1 1 1   10   20   -7 o  423.573   2.6490 51836.66  648.021   0.0000   0.0000 51836.66  648.021  ?   ?   423.573   2.6490      ?      ? 
1 1 1   10   21   -7 o  194.573   2.2716 10947.21  254.556 10871.06  373.535 11013.25  347.831  193.934   3.3350  195.212   3.0852 -1.277390 4.543142 
1 1 1   10   22   -7 o  204.219   2.2598 12049.28  266.534 12049.28  266.534   0.0000   0.0000  204.219   2.2598  ?   ?       ?      ? 
1 1 1   10   23   -7 o   65.448   3.5957  1145.55  115.332  1069.92  130.063  1423.83  249.495   60.823   3.7025   70.072   6.1649 -9.248920 7.191332 
1 1 1   10   24   -7 o   70.697   2.6365  1444.56  107.649   0.0000   0.0000  1444.56  107.649  ?   ?    70.697   2.6365      ?      ? 
1 1 1   10   25   -7 o   43.212   5.0464  555.591  109.213  546.025  207.067  559.278  128.547   42.496   8.7289   43.929   5.0667 -1.432693 10.09282 
1 1 1   10   26   -7 o   63.029   4.7511  1269.65  125.818  991.647  296.518  1330.70  138.947   58.243   8.8150   67.816   3.5476 -9.572716 9.502110 
1 1 1   10   27   -7 o  160.350   2.5763  7443.61  238.445  7488.14  331.976  7396.16  342.705  160.853   3.5735  159.848   3.7122 1.004929 5.152679 
1 1 1   10   28   -7 o  190.104   2.1819 10494.17  238.610 11092.21  329.586  9835.49  345.894  195.835   2.9140  184.372   3.2483 11.46242 4.363866 
1 1 1   10   29   -7 o  190.219   2.2565 10458.95  247.897 10458.95  247.897   0.0000   0.0000  190.219   2.2565  ?   ?       ?      ? 
1 1 1   10   30   -7 f   69.928   4.0701  1320.87  133.496  1598.17  305.370  1255.36  148.430   74.021   7.1431   65.834   3.9038 8.186211 8.140239 
1 1 1   10   31   -7 o  145.424   3.0908  6118.99  259.589   0.0000   0.0000  6118.99  259.589  ?   ?   145.424   3.0908      ?      ? 
1 1 1   10   32   -7 o  151.664   2.5061  6747.05  192.352  6480.10  373.821  6843.18  224.329  149.494   4.3297  153.833   2.5249 -4.338287 5.012115 
1 1 1   10   33   -7 o  314.203   2.4955 28550.95  452.840   0.0000   0.0000 28550.95  452.840  ?   ?   314.203   2.4955      ?      ? 
1 1 1   10   34   -7 o  154.921   2.4217  6887.56  187.976  7082.78  377.352  6823.12  216.789  156.249   4.1816  153.592   2.4439 2.656448 4.843409 
1 1 1   10   35   -7 o  109.932   3.2814  3501.18  208.340   0.0000   0.0000  3501.18  208.340  ?   ?   109.932   3.2814      ?      ? 
1 1 1   10   36   -7 o   68.842   4.9366  1380.30  196.277   0.0000   0.0000  1380.30  196.277  ?   ?    68.842   4.9366      ?      ? 
1 1 1   10   37   -7 o   95.897   3.0042  2665.63  166.386   0.0000   0.0000  2665.63  166.386  ?   ?    95.897   3.0042      ?      ? 
1 1 1   10   38   -7 o  108.465   3.2574  3415.66  204.057   0.0000   0.0000  3415.66  204.057  ?   ?   108.465   3.2574      ?      ? 
1 1 1   10   39   -7 o   30.941   8.2515  298.360  150.158   0.0000   0.0000  298.360  150.158  ?   ?    30.941   8.2515      ?      ? 
1 1 1   10   40   -7 o   39.032   7.1573  470.306  155.400   0.0000   0.0000  470.306  155.400  ?   ?    39.032   7.1573      ?      ? 
1 1 1   10   41   -7 o  103.244   2.8444  3102.71  169.607   0.0000   0.0000  3102.71  169.607  ?   ?   103.244   2.8444      ?      ? 
1 1 1   10   42   -7 o  100.934   3.3727  2983.65  196.609   0.0000   0.0000  2983.65  196.609  ?   ?   100.934   3.3727      ?      ? 
1 1 1   10   43   -7 o   11.971   6.0638 -692.8140  210.290   0.0000   0.0000 -692.8140  210.290  ?   ?    11.971   6.0638      ?      ? 
1 1 1   10   44   -7 o   36.830   7.5251  443.358  154.658   0.0000   0.0000  443.358  154.658  ?   ?    36.830   7.5251      ?      ? 
1 1 1   10   45   -7 o   52.751   5.2892  848.921  161.142   0.0000   0.0000  848.921  161.142  ?   ?    52.751   5.2892      ?      ? 
1 1 1   10   46   -7 o   66.056   5.1067  1333.10  194.820   0.0000   0.0000  1333.10  194.820  ?   ?    66.056   5.1067      ?      ? 
1 1 1   10   47   -7 f   50.184   8.0121  844.729  232.221   0.0000   0.0000  844.729  232.221  ?   ?    50.184   8.0121      ?      ? 
1 1 1   10   48   -7 o   49.043   4.9061  743.429  138.963   0.0000   0.0000  743.429  138.963  ?   ?    49.043   4.9061      ?      ? 
1 1 1   10    0   -8 o  826.552   5.1322 197999.30  2440.92 205770.00  3356.54 189277.30  3556.06  843.848   6.8882  809.255   7.6100 -0.000000 0.000000 
1 1 1   10    1   -8 o  238.568   1.4439 16437.75  198.850 16470.53  277.190 16402.99  285.422  238.813   2.0097  238.322   2.0737 0.4907684 2.887736 
1 1 1   10    2   -8 o  194.826   2.0945 10965.37  235.586 10865.65  336.953 11060.72  329.509  193.959   3.0080  195.693   2.9155 -1.734421 4.189006 
1 1 1   10    3   -8 o  671.447   4.1529 130985.30  1601.50 143416.00  2231.53 117783.20  2299.73  704.504   5.4845  638.390   6.2374 66.11432 8.305707 
1 1 1   10    4   -8 o  426.608   2.8201 53112.13  684.992 63078.08  965.765 43023.09  971.711  467.306   3.5784  385.909   4.3598 81.39792 5.640270 
1 1 1   10    5   -8 o  483.984   3.0703 67873.65  855.637 72193.77  1192.74 63293.25  1228.14  499.908   4.1311  468.061   4.5432 31.84778 6.140604 
1 1 1   10    6   -8 o  271.837   2.0582 21346.37  323.069 21789.20  456.339 20901.39  457.440  274.664   2.8767  269.009   2.9443 5.654999 4.116373 
1 1 1   10    7   -8 f  681.057   3.6562 134031.20  1437.67 134124.30  2007.93 133933.20  2059.40  681.305   5.1030  680.808   5.2376 0.4967651 7.312479 
1 1 1   10    8   -8 o  199.076   2.1821 11436.09  250.189 10300.91  347.774 12653.80  360.194  188.845   3.1886  209.308   2.9797 -20.46272 4.364152 
1 1 1   10    9   -8 o  384.346   2.1267 42558.85  447.761 42325.86  551.072 43011.52  768.130  382.816   2.4925  385.875   3.4467 -3.059570 4.253491 
1 1 1   10   10   -8 o  358.980   2.4035 37219.18  498.310   0.0000   0.0000 37219.18  498.310  ?   ?   358.980   2.4035      ?      ? 
1 1 1   10   11   -8 o  181.174   1.8753  9436.55  187.257  9334.95  231.763  9627.57  317.802  179.782   2.2321  182.567   3.0140 -2.784744 3.750562 
1 1 1   10   12   -8 o  135.947   2.8261  5338.93  221.113  5330.44  300.266  5348.98  326.819  135.831   3.8275  136.061   4.1590 -0.2300568 5.652191 
1 1 1   10   13   -8 o  115.470   2.5123  3851.16  167.544  3851.16  167.544   0.0000   0.0000  115.470   2.5123  ?   ?       ?      ? 
1 1 1   10   14   -8 o  112.299   3.0774  3643.07  199.590   0.0000   0.0000  3643.07  199.590  ?   ?   112.299   3.0774      ?      ? 
1 1 1   10   15   -8 o  161.060   2.0300  7435.47  182.768  7721.46  301.413  7269.17  229.844  163.484   3.1923  158.637   2.5087 4.846771 4.060062 
1 1 1   10   16   -8 o  130.625   2.6744  4997.22  193.417  5178.29  243.726  4689.22  317.880  133.878   3.1522  127.372   4.3212 6.506325 5.348730 
1 1 1   10   17   -8 o  248.357   2.0443 17792.99  291.634 18073.36  437.385 17568.58  391.314  250.110   3.0279  246.604   2.7475 3.506393 4.088676 
1 1 1   10   18   -8 o  235.536   2.1568 16067.42  291.486 15679.33  434.980 16383.73  392.702  232.940   3.2333  238.132   2.8554 -5.192047 4.313579 
1 1 1   10   19   -8 o  385.960   2.1741 42854.88  457.098 43618.74  794.461 42476.89  558.865  388.478   3.5410  383.443   2.5236 5.034790 4.348213 
1 1 1   10   20   -8 o  154.785   1.7742  6902.79  152.596  6992.16  253.820  6852.20  190.960  155.557   2.8252  154.013   2.1468 1.543900 3.548348 
1 1 1   10   21   -8 o  116.082   1.9964  3943.56  127.191  3731.49  213.595  4060.07  158.321  113.619   3.2550  118.545   2.3124 -4.925468 3.992805 
1 1 1   10   22   -8 o  114.474   3.1548  3788.05  208.573   0.0000   0.0000  3788.05  208.573  ?   ?   114.474   3.1548      ?      ? 
1 1 1   10   23   -8 o  160.363   1.7810  7431.54  164.923  7443.48  235.434  7420.04  231.101  160.489   2.5400  160.238   2.4972 0.2508545 3.561973 
1 1 1   10   24   -8 o  121.317   2.5759  4214.71  162.860  4159.27  191.941  4357.21  307.741  119.952   2.7706  122.682   4.3433 -2.729462 5.151754 
1 1 1   10   25   -8 o  189.905   2.1951 10421.79  240.761   0.0000   0.0000 10421.79  240.761  ?   ?   189.905   2.1951      ?      ? 
1 1 1   10   26   -8 o  120.734   2.3951  4209.56  164.369  4260.95  256.988  4173.98  213.825  121.336   3.6672  120.131   3.0819 1.205360 4.790257 
1 1 1   10   27   -8 o  271.255   2.2824 21336.73  355.994 21875.00  484.964 20707.77  524.228  275.000   3.0535  267.510   3.3931 7.489929 4.564712 
1 1 1   10   28   -8 f  361.457   2.4204 37782.74  505.054 39268.18  725.208 36383.77  703.782  368.353   3.4089  354.560   3.4369 13.79291 4.840724 
1 1 1   10   29   -8 o  103.988   4.2802  3133.81  257.058  3133.81  257.058   0.0000   0.0000  103.988   4.2802  ?   ?       ?      ? 
1 1 1   10   30   -8 o   77.320   4.9617  1734.91  221.570   0.0000   0.0000  1734.91  221.570  ?   ?    77.320   4.9617      ?      ? 
1 1 1   10   31   -8 o   29.357   10.366  224.319  219.063   0.0000   0.0000  224.319  219.063  ?   ?    29.357   10.366      ?      ? 
1 1 1   10   32   -8 o  150.821   2.3983  6577.19  208.905   0.0000   0.0000  6577.19  208.905  ?   ?   150.821   2.3983      ?      ? 
1 1 1   10   33   -8 o  203.141   2.5195 11935.36  295.596   0.0000   0.0000 11935.36  295.596  ?   ?   203.141   2.5195      ?      ? 
1 1 1   10   34   -8 o   43.682   9.2645  584.445  226.479   0.0000   0.0000  584.445  226.479  ?   ?    43.682   9.2645      ?      ? 
1 1 1   10   35   -8 o   35.397   10.316  382.103  223.805   0.0000   0.0000  382.103  223.805  ?   ?    35.397   10.316      ?      ? 
1 1 1   10   36   -8 o   99.242   4.0278  2861.36  230.859   0.0000   0.0000  2861.36  230.859  ?   ?    99.242   4.0278      ?      ? 
1 1 1   10   37   -8 o  106.881   3.9774  3322.07  245.520   0.0000   0.0000  3322.07  245.520  ?   ?   106.881   3.9774      ?      ? 
1 1 1   10   38   -8 o   16.956   8.0598 -253.4048  214.904   0.0000   0.0000 -253.4048  214.904  ?   ?    16.956   8.0598      ?      ? 
1 1 1   10   39   -8 o   88.711   4.2457  2300.24  217.528   0.0000   0.0000  2300.24  217.528  ?   ?    88.711   4.2457      ?      ? 
1 1 1   10   40   -8 o   81.920   4.5151  1971.19  213.619   0.0000   0.0000  1971.19  213.619  ?   ?    81.920   4.5151      ?      ? 
1 1 1   10   41   -8 o   76.753   4.7688  1742.24  211.394   0.0000   0.0000  1742.24  211.394  ?   ?    76.753   4.7688      ?      ? 
1 1 1   10   42   -8 o   90.929   4.0399  2439.52  212.161   0.0000   0.0000  2439.52  212.161  ?   ?    90.929   4.0399      ?      ? 
1 1 1   10   43   -8 o   50.393   7.4574  799.125  217.041   0.0000   0.0000  799.125  217.041  ?   ?    50.393   7.4574      ?      ? 
1 1 1   10   44   -8 o   38.093   9.7433  510.029  215.217   0.0000   0.0000  510.029  215.217  ?   ?    38.093   9.7433      ?      ? 
1 1 1   10   45   -8 o   13.510   6.7456 -498.9404  215.431   0.0000   0.0000 -498.9404  215.431  ?   ?    13.510   6.7456      ?      ? 
1 1 1   10   46   -8 o   41.198   8.8364  591.638  203.947   0.0000   0.0000  591.638  203.947  ?   ?    41.198   8.8364      ?      ? 
1 1 1   10   47   -8 o   33.943   10.288  442.732  219.160   0.0000   0.0000  442.732  219.160  ?   ?    33.943   10.288      ?      ? 
1 1 1   10   48   -8 o   58.306   5.7738  1081.70  194.430   0.0000   0.0000  1081.70  194.430  ?   ?    58.306   5.7738      ?      ? 
1 1 1   10    0   -9 o  319.906   2.3284 29565.52  430.086 29514.22  605.922 29617.63  610.573  319.627   3.2832  320.185   3.3026 -0.000000 0.000000 
1 1 1   10    1   -9 f  392.561   2.6746 44574.54  605.319 45722.02  838.343 43324.71  874.929  397.851   3.6485  387.272   3.9118 10.57916 5.349158 
1 1 1   10    2   -9 o  235.747   2.1318 16050.98  290.236 16182.42  412.954 15922.67  408.001  236.701   3.0208  234.793   3.0088 1.907227 4.263543 
1 1 1   10    3   -9 o  125.653   2.5304  4636.96  176.607  4267.49  286.454  4863.52  224.310  121.542   4.0808  129.764   2.9930 -8.221825 5.060735 
1 1 1   10    4   -9 o   81.547   3.1991  1973.36  146.551  1612.52  220.925  2256.93  195.845   74.703   5.1206   88.391   3.8364 -13.68713 6.398276 
1 1 1   10    5   -9 o  324.605   2.2396 30480.12  418.910 32855.20  592.545 28106.92  592.311  337.269   3.0420  311.941   3.2877 25.32770 4.479147 
1 1 1   10    6   -9 o  313.397   2.1997 28441.24  396.491 31507.10  561.672 25396.03  559.778  330.278   2.9445  296.515   3.2688 33.76248 4.399448 
1 1 1   10    7   -9 o  415.431   2.5588 49733.61  612.989 51969.88  897.964 47782.09  838.848  424.153   3.6657  406.708   3.5712 17.44464 5.117668 
1 1 1   10    8   -9 o  122.821   2.1714  4345.92  153.395  4476.51  228.934  4239.54  206.643  124.489   3.1841  121.152   2.9533 3.337494 4.342885 
1 1 1   10    9   -9 o  274.082   1.9639 21665.58  310.471 21106.61  426.281 22297.07  453.090  270.324   2.7304  277.841   2.8236 -7.516754 3.927819 
1 1 1   10   10   -9 o  246.501   2.0122 17553.03  286.413 17920.96  404.991 17184.88  405.108  249.086   2.8152  243.916   2.8757 5.170395 4.024314 
1 1 1   10   11   -9 o  173.420   2.0472  8676.61  204.421  8558.17  277.598  8816.93  302.149  172.130   2.7924  174.709   2.9945 -2.579483 4.094417 
1 1 1   10   12   -9 o  346.514   2.5062 34682.20  501.350 34460.67  697.837 34918.52  720.750  345.373   3.4985  347.655   3.5896 -2.282715 5.012474 
1 1 1   10   13   -9 o  429.083   2.7897 53182.86  691.320   0.0000   0.0000 53182.86  691.320  ?   ?   429.083   2.7897      ?      ? 
1 1 1   10   14   -9 o  199.475   2.1903 11492.72  252.339   0.0000   0.0000 11492.72  252.339  ?   ?   199.475   2.1903      ?      ? 
1 1 1   10   15   -9 f  461.124   2.8256 61418.55  752.051 60583.19  1042.43 62325.24  1086.03  457.861   3.9421  464.388   4.0493 -6.526459 5.651256 
1 1 1   10   16   -9 o  297.594   1.9340 25543.20  318.965 25731.72  533.103 25438.07  398.079  298.431   3.0930  296.757   2.3226 1.674011 3.868003 
1 1 1   10   17   -9 o  430.609   2.8173 53571.32  700.661   0.0000   0.0000 53571.32  700.661  ?   ?   430.609   2.8173      ?      ? 
1 1 1   10   18   -9 o  177.482   2.2950  9099.63  235.250   0.0000   0.0000  9099.63  235.250  ?   ?   177.482   2.2950      ?      ? 
1 1 1   10   19   -9 o  161.035   2.0681  7452.84  175.992  7594.20  323.710  7393.52  209.689  162.092   3.4579  159.978   2.2695 2.113663 4.136124 
1 1 1   10   20   -9 o   15.164   5.3618 -756.5175  194.906 -757.1248  268.289 -755.8389  283.626   14.794   7.4079   15.534   7.7537 -0.7394867 10.72367 
1 1 1   10   21   -9 o  137.862   1.9501  5490.44  155.270   0.0000   0.0000  5490.44  155.270  ?   ?   137.862   1.9501      ?      ? 
1 1 1   10   22   -9 o   74.975   2.6801  1624.37  115.891  1508.04  161.411  1748.15  166.496   72.204   3.8707   77.745   3.7080 -5.541336 5.360176 
1 1 1   10   23   -9 o   67.876   3.3027  1323.33  128.902  1219.21  172.741  1454.16  193.634   64.890   4.6093   70.862   4.7314 -5.971939 6.605409 
1 1 1   10   24   -9 o   99.988   2.6573  2806.32  129.685  2734.48  147.173  3055.86  274.296   97.263   2.6200  102.713   4.6239 -5.450134 5.314585 
1 1 1   10   25   -9 o   49.771   6.0471  719.498  173.823   0.0000   0.0000  719.498  173.823  ?   ?    49.771   6.0471      ?      ? 
1 1 1   10   26   -9 o  174.612   2.4712  8813.82  249.212   0.0000   0.0000  8813.82  249.212  ?   ?   174.612   2.4712      ?      ? 
1 1 1   10   27   -9 o   73.452   3.7172  1545.09  156.587  1756.29  239.149  1386.59  207.172   77.782   5.3235   69.122   5.1896 8.660645 7.434487 
1 1 1   10   28   -9 o  178.249   2.2842  9207.73  232.320  9287.27  306.455  9100.25  356.235  179.184   2.9613  177.314   3.4786 1.870255 4.568388 
1 1 1   10   29   -9 f  216.334   3.4712 13546.79  433.706 13546.79  433.706   0.0000   0.0000  216.334   3.4712  ?   ?       ?      ? 
1 1 1   10   30   -9 o  168.499   2.3104  8096.68  206.007  8515.53  380.812  7923.39  244.942  171.464   3.8455  165.534   2.5621 5.930161 4.620830 
1 1 1   10   31   -9 o  100.015   4.0285  2898.70  232.697   0.0000   0.0000  2898.70  232.697  ?   ?   100.015   4.0285      ?      ? 
1 1 1   10   32   -9 o   62.738   5.7309  1198.13  186.634  1049.49  338.742  1262.93  223.640   59.611   9.8391   65.865   5.8791 -6.253853 11.46173 
1 1 1   10   33   -9 o   38.362   6.9585  522.692  155.876  122.705  336.041  632.349  175.950   30.188   12.281   46.536   6.5465 -16.34871 13.91701 
1 1 1   10   34   -9 o   72.179   5.8239  1541.48  240.599  1301.44  338.719  1785.94  341.819   66.375   8.8359   77.984   7.5894 -11.60954 11.64782 
1 1 1   10   35   -9 o   93.906   3.8846  2559.51  210.679   0.0000   0.0000  2559.51  210.679  ?   ?    93.906   3.8846      ?      ? 
1 1 1   10   36   -9 o  161.368   2.3102  7535.58  215.304   0.0000   0.0000  7535.58  215.304  ?   ?   161.368   2.3102      ?      ? 
1 1 1   10   37   -9 f   96.739   4.1145  2724.47  229.880   0.0000   0.0000  2724.47  229.880  ?   ?    96.739   4.1145      ?      ? 
1 1 1   10   38   -9 f   72.524   4.6730  1638.28  149.930  1430.28  339.819  1688.56  167.071   68.905   8.5391   76.143   3.7991 -7.238426 9.346093 
1 1 1   10   39   -9 o  103.077   3.0747  3093.83  169.769  3156.09  304.387  3065.72  204.537  103.565   5.0890  102.589   3.4521 0.9761810 6.149365 
1 1 1   10   40   -9 o   71.100   5.2219  1562.85  209.589  1803.43  285.307  1280.84  308.904   77.599   6.3661   64.602   8.2793 12.99706 10.44383 
1 1 1   10   41   -9 o   89.671   4.1923  2368.97  217.116   0.0000   0.0000  2368.97  217.116  ?   ?    89.671   4.1923      ?      ? 
1 1 1   10   42   -9 o   59.627   5.5877  1096.57  190.493  958.966  249.150  1290.19  295.548   55.272   7.8050   63.982   7.9981 -8.710411 11.17531 
1 1 1   10   43   -9 o   25.186   7.0994  158.501  157.862   76.598  245.006  216.638  206.420   23.665   10.113   26.707   9.9671 -3.042204 14.19888 
1 1 1   10   44   -9 o   71.512   4.6193  1537.93  190.786   0.0000   0.0000  1537.93  190.786  ?   ?    71.512   4.6193      ?      ? 
1 1 1   10   45   -9 o   89.459   4.0520  2391.81  209.354   0.0000   0.0000  2391.81  209.354  ?   ?    89.459   4.0520      ?      ? 
1 1 1   10   46   -9 o   99.730   3.7905  2970.52  218.325   0.0000   0.0000  2970.52  218.325  ?   ?    99.730   3.7905      ?      ? 
1 1 1   10   47   -9 o   47.298   6.5197  814.881  172.620  933.128  236.133  679.161  252.980   52.670   7.7626   41.926   10.477 10.74430 13.03939 
1 1 1   10    0  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    1  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    2  -10 o  186.362   2.7534 10031.20  296.359 10031.20  296.359   0.0000   0.0000  186.362   2.7534  ?   ?       ?      ? 
1 1 1   10    3  -10 o  452.157   4.0614 59063.05  1060.60 59063.05  1060.60   0.0000   0.0000  452.157   4.0614  ?   ?       ?      ? 
1 1 1   10    4  -10 o  427.366   2.8441 52775.50  699.983 52917.77  955.182 52610.48  1028.76  427.995   3.8642  426.737   4.1741 1.258270 5.688207 
1 1 1   10    5  -10 o  654.350   3.3655 123449.50  1199.11 124528.10  2081.32 122913.60  1467.05  656.419   5.4900  652.281   3.8943 4.138611 6.730928 
1 1 1   10    6  -10 o  601.795   3.6334 104619.20  1262.83   0.0000   0.0000 104619.20  1262.83  ?   ?   601.795   3.6334      ?      ? 
1 1 1   10    7  -10 o  413.096   2.6661 49288.54  636.076   0.0000   0.0000 49288.54  636.076  ?   ?   413.096   2.6661      ?      ? 
1 1 1   10    8  -10 o  197.534   2.0854 11269.25  237.908   0.0000   0.0000 11269.25  237.908  ?   ?   197.534   2.0854      ?      ? 
1 1 1   10    9  -10 o  432.336   2.7788 53989.13  693.856   0.0000   0.0000 53989.13  693.856  ?   ?   432.336   2.7788      ?      ? 
1 1 1   10   10  -10 o  410.969   2.9347 48808.05  696.299 49059.86  972.825 48543.53  997.054  412.059   4.0878  409.878   4.2119 2.181427 5.869437 
1 1 1   10   11  -10 o  248.417   1.7645 17751.77  218.685 17969.32  440.360 17680.56  251.948  249.409   3.0571  247.426   1.7631 1.983109 3.529086 
1 1 1   10   12  -10 o   99.797   3.2698  2928.12  153.533  2965.13  173.313  2793.18  330.945  101.313   2.9620   98.281   5.8304 3.032089 6.539660 
1 1 1   10   13  -10 o   71.910   4.4068  1482.69  181.987  1722.90  270.791  1284.84  245.762   77.178   6.0751   66.642   6.3853 10.53562 8.813581 
1 1 1   10   14  -10 o  295.089   1.7816 25149.42  303.629   0.0000   0.0000 25149.42  303.629  ?   ?   295.089   1.7816      ?      ? 
1 1 1   10   15  -10 o  215.318   1.7955 13371.00  191.088 13434.81  389.397 13350.76  219.310  215.636   3.1267  215.000   1.7662 0.6364594 3.591048 
1 1 1   10   16  -10 o  417.231   2.8751 50324.89  691.539 50391.23  949.895 50250.08  1008.72  417.536   3.9391  416.925   4.1892 0.6109924 5.750260 
1 1 1   10   17  -10 o  381.189   2.2584 42270.60  459.203 42733.19  553.706 41251.56  821.818  384.603   2.4928  377.774   3.7667 6.829102 4.516827 
1 1 1   10   18  -10 o  321.089   2.4393 29785.38  452.352   0.0000   0.0000 29785.38  452.352  ?   ?   321.089   2.4393      ?      ? 
1 1 1   10   19  -10 o  213.315   1.6882 13263.67  180.742 12909.67  357.125 13385.57  209.562  211.359   2.9256  215.272   1.6855 -3.913528 3.376415 
1 1 1   10   20  -10 o  186.514   1.7417 10030.81  177.707  9987.26  218.462 10115.98  305.526  185.934   2.0344  187.093   2.8275 -1.159378 3.483329 
1 1 1   10   21  -10 o  164.189   2.4115  7789.63  228.671   0.0000   0.0000  7789.63  228.671  ?   ?   164.189   2.4115      ?      ? 
1 1 1   10   22  -10 o  158.497   2.5718  7260.20  235.417   0.0000   0.0000  7260.20  235.417  ?   ?   158.497   2.5718      ?      ? 
1 1 1   10   23  -10 o   74.501   4.4933  1602.89  162.563  1628.16  340.378  1595.42  185.029   74.767   7.8825   74.234   4.3157 0.5336151 8.986599 
1 1 1   10   24  -10 o  170.693   2.0218  8457.01  179.117  8349.59  336.931  8499.33  211.475  169.887   3.4340  171.499   2.1351 -1.612091 4.043592 
1 1 1   10   25  -10 o   91.000   2.5291  2393.91  132.922  2393.91  132.922   0.0000   0.0000   91.000   2.5291  ?   ?       ?      ? 
1 1 1   10   26  -10 o  144.662   2.3119  5980.04  179.702  6258.12  322.783  5855.13  216.328  147.020   3.8014  142.304   2.6321 4.715485 4.623762 
1 1 1   10   27  -10 o   83.605   3.2056  1993.62  150.297  1896.77  188.971  2160.36  247.951   80.920   4.0435   86.291   4.9753 -5.371010 6.411178 
1 1 1   10   28  -10 o  161.714   2.6485  7562.19  247.363   0.0000   0.0000  7562.19  247.363  ?   ?   161.714   2.6485      ?      ? 
1 1 1   10   29  -10 o  228.386   2.3777 15074.68  313.400 15756.68  453.374 14450.57  433.709  233.326   3.3644  223.447   3.3608 9.879089 4.755418 
1 1 1   10   30  -10 o  224.338   2.4242 14547.08  313.280 16065.46  452.194 13145.65  434.430  235.595   3.3233  213.081   3.5301 22.51338 4.848328 
1 1 1   10   31  -10 o  171.842   2.2682  8537.23  225.113   0.0000   0.0000  8537.23  225.113  ?   ?   171.842   2.2682      ?      ? 
1 1 1   10   32  -10 o  126.759   2.7509  4730.95  159.453  4536.50  357.305  4779.30  178.179  124.961   4.9508  128.557   2.3998 -3.596161 5.501809 
1 1 1   10   33  -10 o  164.603   2.7813  7840.68  264.406   0.0000   0.0000  7840.68  264.406  ?   ?   164.603   2.7813      ?      ? 
1 1 1   10   34  -10 o  101.121   3.8364  2987.21  221.329  2932.70  338.804  3027.79  292.326  100.238   5.8523  102.003   4.9621 -1.764717 7.672855 
1 1 1   10   35  -10 o  187.890   2.1682 10211.89  235.286   0.0000   0.0000 10211.89  235.286  ?   ?   187.890   2.1682      ?      ? 
1 1 1   10   36  -10 o   98.734   3.1920  2827.52  182.022   0.0000   0.0000  2827.52  182.022  ?   ?    98.734   3.1920      ?      ? 
1 1 1   10   37  -10 o   85.150   3.6030  2108.05  177.186   0.0000   0.0000  2108.05  177.186  ?   ?    85.150   3.6030      ?      ? 
1 1 1   10   38  -10 o  154.979   2.5491  6962.62  212.760  7082.15  377.662  6907.04  257.513  155.718   4.1993  154.240   2.8908 1.478287 5.098140 
1 1 1   10   39  -10 o  129.780   2.9295  4897.22  219.580   0.0000   0.0000  4897.22  219.580  ?   ?   129.780   2.9295      ?      ? 
1 1 1   10   40  -10 o  103.527   3.4755  3132.48  207.805   0.0000   0.0000  3132.48  207.805  ?   ?   103.527   3.4755      ?      ? 
1 1 1   10   41  -10 f   52.984   5.7867  926.345  139.719  815.271  289.030  960.216  159.607   49.143   10.502   56.825   4.8633 -7.681545 11.57344 
1 1 1   10   42  -10 o   70.634   4.9698  1568.17  198.926  1677.46  264.242  1425.20  302.215   74.077   6.1764   67.192   7.7878 6.885101 9.939670 
1 1 1   10   43  -10 o   43.325   6.6706  667.970  162.844  505.900  257.747  775.642  210.085   37.172   11.133   49.478   7.3518 -12.30646 13.34113 
1 1 1   10   44  -10 o   59.632   6.6785  1119.07  230.007   0.0000   0.0000  1119.07  230.007  ?   ?    59.632   6.6785      ?      ? 
1 1 1   10   45  -10 o   61.962   4.7833  1245.35  165.370  1088.34  257.483  1355.58  215.750   57.699   7.7267   66.224   5.6409 -8.524792 9.566681 
1 1 1   10   46  -10 o   24.132   7.1599  143.266  168.245  126.380  251.043  157.034  226.685   24.015   10.249   24.250   10.001 -0.2341518 14.31981 
1 1 1   10   47  -10 o   58.152   6.1031  1081.38  204.975   0.0000   0.0000  1081.38  204.975  ?   ?    58.152   6.1031      ?      ? 
1 1 1   10    0  -11 o   40.668   9.7095  624.290  241.292  992.839  346.660  277.928  336.063   54.759   12.590   26.578   14.785 -0.000000 0.000000 
1 1 1   10    1  -11 o  166.799   2.4405  8035.50  235.100   0.0000   0.0000  8035.50  235.100  ?   ?   166.799   2.4405      ?      ? 
1 1 1   10    2  -11 o  387.326   2.3012 43352.73  487.034 43390.25  598.763 43279.36  837.253  387.592   2.6748  387.059   3.7454 0.5329285 4.602436 
1 1 1   10    3  -11 o  265.698   1.9130 20468.23  277.371 20630.99  341.150 20150.82  476.422  267.271   2.2101  264.124   3.1232 3.146912 3.826065 
1 1 1   10    4  -11 o  370.927   1.6967 39673.67  354.682 39446.72  453.750 40030.16  568.682  369.572   2.1258  372.282   2.6449 -2.709625 3.393349 
1 1 1   10    5  -11 o  125.871   3.0215  4728.05  192.809  4905.30  226.479  4261.31  367.517  130.315   3.0092  121.427   5.2406 8.888725 6.043071 
1 1 1   10    6  -11 o  301.611   1.9156 26048.36  287.087 25833.46  329.770 26721.03  583.450  299.081   1.9091  304.140   3.3216 -5.059265 3.831145 
1 1 1   10    7  -11 o  120.505   3.0659  4194.70  213.374  4194.70  213.374   0.0000   0.0000  120.505   3.0659  ?   ?       ?      ? 
1 1 1   10    8  -11 o  383.392   2.3078 42645.27  485.636 43058.93  601.295 41869.24  823.581  386.099   2.6965  380.684   3.7459 5.415802 4.615520 
1 1 1   10    9  -11 o  502.386   2.9317 72906.82  850.634 72906.82  850.634   0.0000   0.0000  502.386   2.9317  ?   ?       ?      ? 
1 1 1   10   10  -11 o  290.520   1.9505 24437.19  309.515 24556.57  380.756 24204.63  531.441  291.583   2.2610  289.457   3.1790 2.125641 3.901010 
1 1 1   10   11  -11 o  414.277   2.5740 49589.68  615.859 49307.76  871.615 49870.75  870.299  413.100   3.6533  415.454   3.6271 -2.353363 5.148047 
1 1 1   10   12  -11 o   39.015   6.0886  497.420  133.262  619.437  166.367  278.965  222.606   46.273   6.2252   31.756   10.466 14.51702 12.17716 
1 1 1   10   13  -11 o  421.662   2.2994 51473.96  528.348 51683.50  648.269 51059.42  911.824  422.981   2.6537  420.344   3.7560 2.637054 4.598838 
1 1 1   10   14  -11 o  243.389   1.9983 17145.70  257.195 17035.00  469.594 17193.14  307.401  242.805   3.3487  243.973   2.1816 -1.168594 3.996677 
1 1 1   10   15  -11 o  262.398   2.2756 19895.06  344.824 19870.52  483.813 19920.39  491.589  262.234   3.1945  262.561   3.2418 -0.3263550 4.551279 
1 1 1   10   16  -11 o  151.893   1.3312  6666.65  116.430  6698.67  158.815  6629.46  171.194  152.289   1.8057  151.497   1.9566 0.7917175 2.662457 
1 1 1   10   17  -11 o  132.851   2.6701  5108.25  203.954  5036.05  301.938  5168.85  276.595  131.979   3.9612  133.723   3.5814 -1.743469 5.340182 
1 1 1   10   18  -11 o  312.571   1.9239 28222.26  347.302   0.0000   0.0000 28222.26  347.302  ?   ?   312.571   1.9239      ?      ? 
1 1 1   10   19  -11 o  167.378   1.7591  8103.47  165.835  8055.82  265.349  8134.02  212.432  166.963   2.7518  167.793   2.1921 -0.8306580 3.518173 
1 1 1   10   20  -11 o   41.096   5.1666  583.779  108.453  765.428  136.952  278.285  177.604   51.425   4.6111   30.766   9.2473 20.65933 10.33320 
1 1 1   10   21  -11 o  186.019   1.2131 10005.26  126.629  9956.38  204.712 10035.56  161.161  185.643   1.9093  186.395   1.4971 -0.7524872 2.426259 
1 1 1   10   22  -11 o   17.021   5.1668 -54.2794   99.188 -184.6328  142.695   67.587  137.971   13.739   6.5413   20.302   7.9996 -6.563004 10.33355 
1 1 1   10   23  -11 o   20.256   5.4915   84.873   85.558  107.324  100.230   24.586  164.247   20.260   7.0211   20.251   8.4457 0.8193970E-02 10.98303 
1 1 1   10   24  -11 o   58.974   4.0865  1019.25  128.845  1035.27  155.893  984.734  228.876   59.775   4.5157   58.173   6.8123 1.601624 8.173051 
1 1 1   10   25  -11 o   67.595   3.6958  1188.34  113.111  1113.90  124.009  1556.86  275.922   62.042   3.4609   73.148   6.5313 -11.10654 7.391561 
1 1 1   10   26  -11 o   73.348   3.5683  1500.76  121.049  1462.36  134.603  1663.14  276.796   71.090   3.2784   75.605   6.3390 -4.514877 7.136590 
1 1 1   10   27  -11 o  181.509   2.2412  9544.72  234.637  9132.19  335.222  9940.95  328.533  177.648   3.2673  185.370   3.0687 -7.722092 4.482419 
1 1 1   10   28  -11 o  133.143   2.0905  5124.85  160.469  5077.58  220.036  5178.55  234.531  132.494   2.8755  133.792   3.0352 -1.298416 4.181002 
1 1 1   10   29  -11 o   68.667   4.8136  1395.56  181.069  1305.79  303.984  1444.94  225.422   66.820   7.8770   70.515   5.5351 -3.695381 9.627290 
1 1 1   10   30  -11 o  205.653   2.3806 12248.43  282.339 12344.97  389.825 12141.91  409.475  206.520   3.2683  204.785   3.4621 1.734650 4.761108 
1 1 1   10   31  -11 o   81.693   4.8564  1937.93  229.131   0.0000   0.0000  1937.93  229.131  ?   ?    81.693   4.8564      ?      ? 
1 1 1   10   32  -11 o   20.701   6.7666 -210.6711  166.465 -58.7685  317.930 -268.0429  195.388   25.636   11.233   15.766   7.5468 9.870045 13.53311 
1 1 1   10   33  -11 o  162.619   2.6313  7671.88  246.924  7553.01  354.944  7783.36  343.732  161.382   3.8082  163.856   3.6322 -2.473999 5.262625 
1 1 1   10   34  -11 f   49.157   6.5375  707.889  185.602   0.0000   0.0000  707.889  185.602  ?   ?    49.157   6.5375      ?      ? 
1 1 1   10   35  -11 o  134.306   2.9961  5244.44  232.358  5379.31  331.605  5114.35  325.682  136.006   4.2216  132.607   4.2525 3.398636 5.992138 
1 1 1   10   36  -11 o  111.072   3.4474  3612.41  216.755  3652.71  280.966  3553.16  340.664  111.967   4.3449  110.177   5.3536 1.789680 6.894880 
1 1 1   10   37  -11 o  161.444   2.6120  7556.43  243.549   0.0000   0.0000  7556.43  243.549  ?   ?   161.444   2.6120      ?      ? 
1 1 1   10   38  -11 o   65.403   4.3883  1156.39  147.660  1528.07  298.888  1036.38  169.832   71.416   7.2465   59.390   4.9514 12.02646 8.776526 
1 1 1   10   39  -11 o  106.134   3.9899  3298.81  244.566   0.0000   0.0000  3298.81  244.566  ?   ?   106.134   3.9899      ?      ? 
1 1 1   10   40  -11 o   64.865   4.5406  1245.34  160.991  1350.38  280.866  1193.95  196.470   66.437   7.3199   63.294   5.3746 3.142494 9.081182 
1 1 1   10   41  -11 o   63.682   4.6287  1205.65  170.238   0.0000   0.0000  1205.65  170.238  ?   ?    63.682   4.6287      ?      ? 
1 1 1   10   42  -11 o   71.996   3.5172  1500.23  139.388  1751.11  243.274  1377.62  170.072   75.967   5.5448   68.025   4.3289 7.942032 7.034469 
1 1 1   10   43  -11 o   56.770   5.1178  1020.83  166.763  1172.06  241.336  882.639  230.701   61.059   6.8437   52.482   7.6112 8.576313 10.23552 
1 1 1   10   44  -11 o   66.003   3.9683  1380.44  139.622  1220.34  240.646  1461.68  171.426   62.163   6.7029   69.843   4.2498 -7.680763 7.936591 
1 1 1   10   45  -11 o   58.465   5.4933  1135.48  182.634  974.400  265.400  1280.37  251.711   53.725   8.5534   63.206   6.8954 -9.480846 10.98670 
1 1 1   10   46  -11 o   64.845   5.4857  1310.33  205.443   0.0000   0.0000  1310.33  205.443  ?   ?    64.845   5.4857      ?      ? 
1 1 1   10   47  -11 o   81.399   4.7282  2094.83  216.442  1835.47  271.210  2549.76  359.196   75.368   6.2307   87.431   7.1135 -12.06345 9.456358 
1 1 1   10    0  -12 o  288.708   2.4497 24062.46  408.137 24839.49  588.387 23341.88  566.613  293.198   3.4758  284.219   3.4530 -0.000000 0.000000 
1 1 1   10    1  -12 o  456.658   2.5013 60231.40  659.697   0.0000   0.0000 60231.40  659.697  ?   ?   456.658   2.5013      ?      ? 
1 1 1   10    2  -12 o   91.550   2.6509  2420.89  140.163   0.0000   0.0000  2420.89  140.163  ?   ?    91.550   2.6509      ?      ? 
1 1 1   10    3  -12 o  254.246   2.0181 18804.65  279.349 18269.03  480.366 19078.34  343.382  251.479   3.3074  257.013   2.3133 -5.533279 4.036125 
1 1 1   10    4  -12 f  459.305   2.1653 60936.69  574.360 61636.55  814.660 60244.99  809.896  461.927   3.0536  456.682   3.0706 5.244995 4.330540 
1 1 1   10    5  -12 o  265.588   1.4060 20318.73  202.966 20529.07  353.715 20215.47  247.826  266.604   2.2972  264.572   1.6219 2.031952 2.812054 
1 1 1   10    6  -12 o  408.465   2.3661 48132.45  529.354 48409.08  907.222 47989.66  651.817  409.327   3.8376  407.602   2.7689 1.725250 4.732203 
1 1 1   10    7  -12 o  494.095   2.3036 70516.38  657.309 69166.11  924.021 71899.59  935.230  489.306   3.2698  498.883   3.2459 -9.576630 4.607292 
1 1 1   10    8  -12 o  159.222   2.0064  7325.75  184.437  7500.09  259.770  7148.53  261.909  161.134   2.7914  157.311   2.8827 3.823425 4.012721 
1 1 1   10    9  -12 o  184.084   2.2085  9871.88  205.042  9959.96  238.318  9620.90  402.302  185.697   2.2221  182.471   3.8174 3.225662 4.417083 
1 1 1   10   10  -12 o  656.717   2.7962 124633.60  1060.44 124903.10  1489.88 124356.90  1509.69  657.440   3.9238  655.994   3.9848 1.446289 5.592385 
1 1 1   10   11  -12 o   20.568   6.7866 -263.6350  163.762 -67.5029  334.141 -325.6381  187.872   26.535   11.574   14.601   7.0895 11.93384 13.57312 
1 1 1   10   12  -12 o  317.902   2.3382 29192.29  429.300   0.0000   0.0000 29192.29  429.300  ?   ?   317.902   2.3382      ?      ? 
1 1 1   10   13  -12 o  107.016   2.2119  3312.12  136.566  3393.61  190.285  3225.56  196.113  108.377   3.0401  105.656   3.2139 2.720741 4.423897 
1 1 1   10   14  -12 o   74.433   4.2897  1586.88  164.902  1641.24  316.271  1566.58  193.248   75.261   7.2762   73.606   4.5459 1.655647 8.579496 
1 1 1   10   15  -12 o  314.264   1.8388 28729.99  299.672 28085.28  563.136 28984.69  353.950  311.754   3.1276  316.774   1.9347 -5.020142 3.677645 
1 1 1   10   16  -12 o  145.428   2.1433  6159.86  164.280  5993.40  300.059  6231.11  196.316  143.992   3.6081  146.864   2.3145 -2.871750 4.286673 
1 1 1   10   17  -12 o  137.443   1.9820  5436.08  134.428  5502.52  275.076  5415.23  154.081  137.968   3.4521  136.918   1.9485 1.050415 3.964088 
1 1 1   10   18  -12 o  113.845   1.8077  3748.00  118.735  3822.09  165.184  3668.79  170.788  115.012   2.4868  112.678   2.6244 2.334007 3.615488 
1 1 1   10   19  -12 o   97.036   2.2147  2720.52  124.118  2720.52  124.118   0.0000   0.0000   97.036   2.2147  ?   ?       ?      ? 
1 1 1   10   20  -12 o  284.394   1.8834 23375.18  288.998 23374.14  350.905 23377.38  509.515  284.427   2.1362  284.360   3.1024 0.6671143E-01 3.766729 
1 1 1   10   21  -12 o  136.551   2.4698  5462.76  182.471  5598.73  223.592  5191.65  315.731  139.169   2.7818  133.934   4.0817 5.234772 4.939514 
1 1 1   10   22  -12 o  179.619   2.1416  9323.00  222.169   0.0000   0.0000  9323.00  222.169  ?   ?   179.619   2.1416      ?      ? 
1 1 1   10   23  -12 o  127.356   1.9748  4662.47  127.791  4746.98  250.573  4632.77  148.564  128.093   3.3871  126.618   2.0316 1.474655 3.949622 
1 1 1   10   24  -12 o  201.818   1.5721 11746.51  182.101 11551.50  243.324 11994.79  274.555  199.927   2.1073  203.709   2.3336 -3.781998 3.144296 
1 1 1   10   25  -12 o  108.783   2.4158  3420.95  151.776  3420.95  151.776   0.0000   0.0000  108.783   2.4158  ?   ?       ?      ? 
1 1 1   10   26  -12 o  205.583   2.1884 12228.04  259.824 12303.99  366.179 12151.04  368.728  206.229   3.0744  204.938   3.1153 1.290726 4.376858 
1 1 1   10   27  -12 o  108.131   2.1082  3382.10  131.652  3347.86  185.313  3417.00  187.069  107.579   2.9826  108.684   2.9802 -1.105278 4.216362 
1 1 1   10   28  -12 f  205.271   2.3880 12181.83  283.106   0.0000   0.0000 12181.83  283.106  ?   ?   205.271   2.3880      ?      ? 
1 1 1   10   29  -12 o  331.295   2.5184 31737.54  481.873   0.0000   0.0000 31737.54  481.873  ?   ?   331.295   2.5184      ?      ? 
1 1 1   10   30  -12 o  162.462   2.6401  7666.15  246.350  7439.58  365.124  7855.47  333.767  160.222   3.9458  164.701   3.5088 -4.478775 5.280245 
1 1 1   10   31  -12 o   73.838   4.7126  1666.16  183.414  1398.87  320.430  1796.41  223.682   69.043   8.0358   78.633   4.9254 -9.590675 9.425181 
1 1 1   10   32  -12 o  163.469   2.7059  7749.52  255.403  7558.48  361.286  7940.37  361.104  161.446   3.8747  165.491   3.7781 -4.045319 5.411775 
1 1 1   10   33  -12 o   77.287   5.0277  1738.80  224.420   0.0000   0.0000  1738.80  224.420  ?   ?    77.287   5.0277      ?      ? 
1 1 1   10   34  -12 o  110.902   3.1131  3526.77  191.574  3756.78  323.240  3402.24  237.848  113.550   4.9289  108.255   3.8042 5.295853 6.226277 
1 1 1   10   35  -12 o   74.859   4.0855  1683.95  148.251  1562.85  303.408  1721.94  169.916   72.742   7.2220   76.975   3.8221 -4.232491 8.170981 
1 1 1   10   36  -12 o  124.422   3.2748  4495.79  235.326   0.0000   0.0000  4495.79  235.326  ?   ?   124.422   3.2748      ?      ? 
1 1 1   10   37  -12 o  109.524   3.5609  3492.36  225.241   0.0000   0.0000  3492.36  225.241  ?   ?   109.524   3.5609      ?      ? 
1 1 1   10   38  -12 o  191.530   2.0016 10721.03  209.992 10468.12  356.899 10854.95  259.704  189.595   3.2594  193.465   2.3243 -3.870773 4.003223 
1 1 1   10   39  -12 o   66.473   4.5378  1331.20  167.941  1314.84  275.332  1340.89  211.931   65.788   7.2464   67.157   5.4641 -1.368355 9.075601 
1 1 1   10   40  -12 o   41.412   6.6251  504.319  139.830  724.681  278.479  430.030  161.691   46.215   10.652   36.610   7.8805 9.604946 13.25011 
1 1 1   10   41  -12 o   54.256   5.7352  1038.48  141.188  754.976  276.575  1138.40  164.195   46.704   10.508   61.808   4.5997 -15.10409 11.47034 
1 1 1   10   42  -12 o   24.090   7.3391   74.298  183.182   54.691  240.743  101.260  282.311   22.933   9.9145   25.247   10.824 -2.314167 14.67819 
1 1 1   10   43  -12 o   28.876   7.9063  272.109  186.961  290.334  241.962  245.105  294.524   29.220   10.814   28.532   11.537 0.6880264 15.81254 
1 1 1   10   44  -12 o   53.501   5.3832  878.657  166.335   0.0000   0.0000  878.657  166.335  ?   ?    53.501   5.3832      ?      ? 
1 1 1   10   45  -12 o   57.628   6.2142  1148.97  192.503  1170.05  243.356  1113.74  314.665   60.162   7.0038   55.094   10.267 5.067913 12.42833 
1 1 1   10   46  -12 o   63.718   6.1503  1296.44  226.332   0.0000   0.0000  1296.44  226.332  ?   ?    63.718   6.1503      ?      ? 
1 1 1   10    0  -13 o  492.388   3.3571 70035.80  954.575 70035.80  954.575   0.0000   0.0000  492.388   3.3571  492.388   3.3571 -0.000000 0.000000 
1 1 1   10    1  -13 o  188.608   2.2168 10183.94  225.821 10535.38  400.673 10020.34  273.377  190.960   3.6330  186.257   2.5414 4.702896 4.433624 
1 1 1   10    2  -13 o  559.581   2.5124 90466.42  811.960 90557.65  1147.28 90374.85  1149.29  559.864   3.5482  559.298   3.5580 0.5661011 5.024790 
1 1 1   10    3  -13 o  259.769   2.0740 19369.97  284.320 19193.44  338.322 19794.38  524.585  257.784   2.2724  261.754   3.4701 -3.970032 4.147917 
1 1 1   10    4  -13 o   92.624   3.8029  2376.76  185.399  2731.40  352.691  2241.35  217.940   97.180   6.2839   88.068   4.2848 9.111717 7.605742 
1 1 1   10    5  -13 o  418.209   3.1677 50526.40  765.119   0.0000   0.0000 50526.40  765.119  ?   ?   418.209   3.1677      ?      ? 
1 1 1   10    6  -13 o  121.947   2.5009  4351.38  148.824  4194.37  305.709  4400.14  170.377  120.470   4.3938  123.425   2.3901 -2.955154 5.001854 
1 1 1   10    7  -13 o  260.954   1.6327 19669.91  245.952 19643.42  353.028 19694.89  342.853  260.782   2.3439  261.126   2.2734 -0.3433228 3.265325 
1 1 1   10    8  -13 o  267.515   1.9773 20553.58  285.758 21010.45  505.356 20338.84  346.467  269.670   3.2447  265.359   2.2607 4.311462 3.954628 
1 1 1   10    9  -13 o  425.862   2.7906 52409.84  686.220 52505.98  980.802 52317.65  960.440  426.241   3.9842  425.482   3.9084 0.7588196 5.581198 
1 1 1   10   10  -13 o  156.595   1.7684  7100.76  156.314  7166.00  201.311  7001.69  248.062  157.509   2.2130  155.681   2.7589 1.827530 3.536796 
1 1 1   10   11  -13 o  187.271   2.0601 10060.80  202.660  9961.96  240.312 10304.20  377.103  185.709   2.2406  188.834   3.4578 -3.125519 4.120217 
1 1 1   10   12  -13 o  194.067   1.5660 10858.77  173.564 10745.69  228.428 11013.22  266.966  192.878   2.0506  195.256   2.3674 -2.377716 3.132006 
1 1 1   10   13  -13 o  142.069   2.2983  5856.95  175.982  5764.68  309.653  5900.97  213.880  141.221   3.7966  142.917   2.5912 -1.696869 4.596541 
1 1 1   10   14  -13 o  184.828   1.5688  9861.27  166.557  9937.09  249.267  9800.11  223.868  185.466   2.3271  184.190   2.1045 1.276001 3.137533 
1 1 1   10   15  -13 o   99.753   1.8881  2913.28  103.457  2748.74  173.288  3004.41  128.963   97.526   3.0765  101.981   2.1896 -4.454109 3.776152 
1 1 1   10   16  -13 o   96.431   2.4451  2675.78  135.040  2780.79  206.336  2597.10  178.604   98.073   3.6428   94.789   3.2625 3.283379 4.890196 
1 1 1   10   17  -13 o  165.321   2.3208  7873.73  220.443  8156.12  331.388  7649.58  295.240  167.963   3.4162  162.678   3.1424 5.284973 4.641634 
1 1 1   10   18  -13 o  165.559   1.8645  7858.94  155.045  8047.54  309.893  7795.97  179.068  166.843   3.2160  164.275   1.8874 2.567627 3.728938 
1 1 1   10   19  -13 f   87.028   1.7767  2185.88   86.113  2177.81  108.193  2199.83  142.241   86.818   2.1578   87.238   2.8231 -0.4203262 3.553321 
1 1 1   10   20  -13 o  151.691   1.7250  6637.67  148.020  6710.72  234.906  6589.57  190.626  152.370   2.6694  151.012   2.1857 1.357803 3.450039 
1 1 1   10   21  -13 o  164.395   1.6597  7804.34  156.283  7859.24  237.114  7762.16  207.811  164.897   2.4898  163.892   2.1955 1.004868 3.319478 
1 1 1   10   22  -13 o  126.912   2.0505  4671.63  149.675  4474.93  219.110  4843.71  204.945  124.391   3.0499  129.434   2.7416 -5.042717 4.101028 
1 1 1   10   23  -13 o  130.927   2.4615  4893.96  156.693  4838.30  178.111  5084.51  329.571  129.376   2.3837  132.478   4.3074 -3.102264 4.923019 
1 1 1   10   24  -13 o  150.098   2.4884  6513.34  215.716   0.0000   0.0000  6513.34  215.716  ?   ?   150.098   2.4884      ?      ? 
1 1 1   10   25  -13 o  170.487   2.1156  8478.14  184.132  8559.92  215.504  8256.98  354.388  172.092   2.1682  168.882   3.6334 3.210251 4.231156 
1 1 1   10   26  -13 o   20.022   6.5907 -231.2617  167.059 -286.2231  200.162 -105.0790  303.286   15.820   7.5899   24.225   10.777 -8.404466 13.18144 
1 1 1   10   27  -13 o   69.291   4.2288  1525.66  129.613  1196.97  286.655  1610.12  145.315   63.996   7.7558   74.586   3.3734 -10.58999 8.457649 
1 1 1   10   28  -13 o   40.819   7.0719  539.840  169.409  313.903  288.435  658.829  209.318   34.164   11.907   47.475   7.6341 -13.31120 14.14372 
1 1 1   10   29  -13 o  120.895   2.1882  4188.13  133.855  4315.86  264.898  4144.33  155.115  122.059   3.7577  119.730   2.2432 2.328278 4.376335 
1 1 1   10   30  -13 o  172.659   2.4170  8635.89  240.718  8576.31  348.571  8690.22  332.829  172.077   3.5074  173.242   3.3265 -1.165054 4.833960 
1 1 1   10   31  -13 o   75.059   4.2572  1611.01  180.226  1787.34  293.773  1504.59  228.220   78.227   6.5023   71.890   5.4967 6.337692 8.514330 
1 1 1   10   32  -13 o   73.659   4.8179  1570.08  193.926  1647.22  336.886  1531.85  237.161   74.837   7.7944   72.480   5.6655 2.357338 9.635881 
1 1 1   10   33  -13 o  108.106   3.2090  3290.00  185.107  3684.20  341.655  3126.21  220.232  112.410   5.2626  103.803   3.6735 8.606468 6.417919 
1 1 1   10   34  -13 o   92.226   3.7682  2478.33  200.422  2606.69  293.190  2365.73  274.602   94.453   5.3746   89.999   5.2830 4.453720 7.536333 
1 1 1   10   35  -13 o  104.819   3.8056  3195.18  230.381   0.0000   0.0000  3195.18  230.381  ?   ?   104.819   3.8056      ?      ? 
1 1 1   10   36  -13 o   18.825   6.2184 -205.5132  167.244 -299.9706  259.574 -138.4704  218.685   18.605   8.8478   19.046   8.7402 -0.4407864 12.43683 
1 1 1   10   37  -13 o  125.545   3.0106  4626.33  217.470  4216.62  309.963  5023.52  305.190  119.968   4.4736  131.122   4.0300 -11.15410 6.021186 
1 1 1   10   38  -13 o   16.786   5.8018 -416.1522  143.721 -94.9944  282.252 -528.5674  166.990   22.550   10.184   11.022   5.5616 11.52814 11.60368 
1 1 1   10   39  -13 o   60.482   5.4374  1091.24  189.934   0.0000   0.0000  1091.24  189.934  ?   ?    60.482   5.4374      ?      ? 
1 1 1   10   40  -13 o   51.035   6.2295  893.603  161.612  700.935  280.801  989.035  197.624   44.943   10.925   57.126   5.9899 -12.18336 12.45896 
1 1 1   10   41  -13 o   59.987   4.6210  1075.52  142.480  1195.98  277.518  1032.40  166.032   61.331   7.8348   58.644   4.9021 2.687218 9.241982 
1 1 1   10   42  -13 o   48.661   7.2757  751.975  204.474   0.0000   0.0000  751.975  204.474  ?   ?    48.661   7.2757      ?      ? 
1 1 1   10   43  -13 o   33.991   8.3285  394.225  162.218   0.0000   0.0000  394.225  162.218  ?   ?    33.991   8.3285      ?      ? 
1 1 1   10   44  -13 o   25.619   10.029  201.900  215.611   0.0000   0.0000  201.900  215.611  ?   ?    25.619   10.029      ?      ? 
1 1 1   10   45  -13 o   26.575   10.190  242.703  219.159   0.0000   0.0000  242.703  219.159  ?   ?    26.575   10.190      ?      ? 
1 1 1   10   46  -13 o   27.717   8.2520  276.658  141.928   0.0000   0.0000  276.658  141.928  ?   ?    27.717   8.2520      ?      ? 
1 1 1   10    0  -14 o  253.253   2.3600 18507.86  344.670 19090.09  501.930 17988.34  474.130  257.015   3.3827  249.490   3.2918 -0.000000 0.000000 
1 1 1   10    1  -14 f  226.480   1.9417 14800.01  240.450 14869.82  413.449 14764.33  295.577  226.872   3.1554  226.089   2.2636 0.7821198 3.883384 
1 1 1   10    2  -14 o  337.026   2.0456 32840.39  375.225 32730.70  649.960 32895.21  459.538  336.583   3.3436  337.470   2.3578 -0.8869629 4.091266 
1 1 1   10    3  -14 o  149.166   2.0162  6498.92  154.236  6272.37  294.110  6584.86  181.143  147.340   3.4562  150.992   2.0772 -3.651810 4.032425 
1 1 1   10    4  -14 o  325.694   2.0572 30560.67  367.131 30382.17  451.932 30907.05  629.555  324.319   2.4128  327.069   3.3328 -2.749420 4.114483 
1 1 1   10    5  -14 o  185.371   2.4724  9925.78  264.691  9925.78  264.691   0.0000   0.0000  185.371   2.4724  ?   ?       ?      ? 
1 1 1   10    6  -14 o   79.440   3.3169  1823.00  152.125  1767.29  211.847  1882.31  218.586   78.188   4.6914   80.692   4.6904 -2.504272 6.633887 
1 1 1   10    7  -14 o  176.723   2.2392  9018.14  202.740  9034.73  390.892  9012.04  237.128  176.813   3.8279  176.633   2.3245 0.1796112 4.478374 
1 1 1   10    8  -14 f  407.033   2.6292 47876.33  618.039 47583.87  869.342 48175.20  878.813  405.777   3.7095  408.289   3.7269 -2.512115 5.258333 
1 1 1   10    9  -14 o  338.128   2.4044 33046.11  469.239 33286.37  653.314 32790.11  674.396  339.402   3.3329  336.853   3.4665 2.548523 4.808817 
1 1 1   10   10  -14 o  199.719   1.4805 11461.01  165.858 11273.22  209.971 11772.61  270.471  197.561   1.8402  201.876   2.3198 -4.315842 2.961066 
1 1 1   10   11  -14 o  225.235   1.5973 14664.99  207.387 14833.45  285.546 14476.93  301.699  226.607   2.1818  223.862   2.3335 2.744873 3.194604 
1 1 1   10   12  -14 o  226.757   1.7809 14834.77  226.898 14942.38  366.636 14767.98  288.859  227.410   2.7915  226.103   2.2121 1.307343 3.561703 
1 1 1   10   13  -14 o   31.561   6.5596  269.866  139.402  463.141  201.678   93.044  192.903   39.145   9.0943   23.978   9.4554 15.16747 13.11910 
1 1 1   10   14  -14 o   60.310   3.2741  1039.74  113.164  1152.74  173.681  956.370  149.176   63.120   4.7643   57.499   4.4921 5.620991 6.548109 
1 1 1   10   15  -14 o  121.090   2.0517  4240.74  142.895  4201.69  211.378  4273.60  193.917  120.572   3.0355  121.609   2.7610 -1.036461 4.103333 
1 1 1   10   16  -14 o   57.103   5.1269  974.119  157.585  1029.05  194.014  867.624  270.150   59.598   5.6366   54.608   8.5657 4.989971 10.25387 
1 1 1   10   17  -14 o  203.894   1.4038 11996.17  161.634 12077.98  257.550 11943.01  207.608  204.457   2.1811  203.331   1.7679 1.126862 2.807599 
1 1 1   10   18  -14 o   78.039   2.4238  1777.35  107.969  1634.83  161.605  1892.25  145.106   75.177   3.7221   80.901   3.1056 -5.723625 4.847545 
1 1 1   10   19  -14 o  270.915   1.9160 21328.98  246.405 21415.50  278.449 21016.65  529.051  272.266   1.7708  269.564   3.3982 2.701996 3.831910 
1 1 1   10   20  -14 o   63.844   4.2438  1180.23  156.480   0.0000   0.0000  1180.23  156.480  ?   ?    63.844   4.2438      ?      ? 
1 1 1   10   21  -14 f  113.592   2.0242  3752.09  129.227  3825.66  165.629  3637.62  206.594  115.042   2.4928  112.143   3.1898 2.899109 4.048336 
1 1 1   10   22  -14 o  191.392   1.9957 10615.74  217.482 10733.61  285.491 10452.75  335.709  192.684   2.5654  190.100   3.0577 2.583496 3.991363 
1 1 1   10   23  -14 o   56.214   3.7618  933.685  119.934  1059.16  162.971  785.452  177.138   60.441   4.6687   51.987   5.8998 8.454239 7.523561 
1 1 1   10   24  -14 o  102.632   2.2266  3074.27  126.410  2952.65  209.525  3143.87  158.507  100.993   3.5922  104.272   2.6321 -3.278572 4.453267 
1 1 1   10   25  -14 o   74.772   3.0799  1646.80  126.914  1714.60  159.286  1528.92  210.025   76.959   3.5837   72.585   5.0100 4.373482 6.159789 
1 1 1   10   26  -14 o   45.238   5.4258  618.328  106.933  623.972  118.732  594.091  246.049   46.393   4.4313   44.084   9.9055 2.309460 10.85153 
1 1 1   10   27  -14 o   87.456   3.2572  2140.50  123.339  2102.18  134.763  2338.20  306.102   85.255   2.7370   89.657   5.9115 -4.402786 6.514307 
1 1 1   10   28  -14 o   93.563   4.0231  2536.95  217.396  2536.95  217.396   0.0000   0.0000   93.563   4.0231  ?   ?       ?      ? 
1 1 1   10   29  -14 o  162.356   1.9212  7618.57  180.146   0.0000   0.0000  7618.57  180.146  ?   ?   162.356   1.9212      ?      ? 
1 1 1   10   30  -14 o  171.984   2.3700  8564.01  210.161  8572.61  400.865  8560.75  246.798  171.929   4.0370  172.039   2.4839 -0.1093597 4.739971 
1 1 1   10   31  -14 o  111.271   3.6508  3576.14  232.064  3782.82  359.533  3428.54  303.832  113.954   5.4629  108.588   4.8447 5.366287 7.301648 
1 1 1   10   32  -14 f  131.970   3.2960  5047.62  251.217   0.0000   0.0000  5047.62  251.217  ?   ?   131.970   3.2960      ?      ? 
1 1 1   10   33  -14 o   68.143   5.0461  1461.89  152.067  1218.62  340.967  1522.29  169.900   63.911   9.2374   72.374   4.0647 -8.462822 10.09213 
1 1 1   10   34  -14 o  158.828   2.5484  7377.10  220.469  7178.55  378.675  7478.92  271.166  157.039   4.1752  160.617   2.9232 -3.577362 5.096774 
1 1 1   10   35  -14 o  120.232   3.1781  4218.55  217.757  4237.34  336.695  4205.04  285.505  120.355   4.8438  120.110   4.1158 0.2449875 6.356274 
1 1 1   10   36  -14 o   91.158   3.6706  2416.18  181.082  2521.40  320.118  2366.66  219.592   92.327   6.0034   89.989   4.2251 2.337219 7.341168 
1 1 1   10   37  -14 o   52.891   5.5178  834.612  166.197  931.326  262.448  769.862  214.741   55.267   8.2222   50.515   7.3606 4.752632 11.03554 
1 1 1   10   38  -14 o   30.354   8.0799  257.559  191.559  257.713  254.213  257.357  291.385   29.988   11.087   30.721   11.757 -0.7327633 16.15973 
1 1 1   10   39  -14 f   49.779   6.3275  743.610  172.730  1047.66  293.190  581.977  213.767   57.453   8.8360   42.104   9.0594 15.34839 12.65493 
1 1 1   10   40  -14 o   86.145   4.5580  2303.81  223.647  2503.38  302.444  2063.02  332.216   90.822   5.7659   81.467   7.0608 9.354988 9.115916 
1 1 1   10   41  -14 o   69.112   4.0846  1420.35  163.036   0.0000   0.0000  1420.35  163.036  ?   ?    69.112   4.0846      ?      ? 
1 1 1   10   42  -14 o   37.881   6.8595  501.244  135.484  512.881  281.100  497.723  154.630   36.609   11.739   39.153   7.0997 -2.543476 13.71895 
1 1 1   10   43  -14 o   70.668   4.4762  1534.59  173.483  1678.52  300.278  1462.48  212.544   72.275   7.1937   69.061   5.3288 3.214104 8.952389 
1 1 1   10   44  -14 o   49.948   6.4416  793.151  185.822   0.0000   0.0000  793.151  185.822  ?   ?    49.948   6.4416      ?      ? 
1 1 1   10   45  -14 o   13.587   6.7732 -451.2059  213.509   0.0000   0.0000 -451.2059  213.509  ?   ?    13.587   6.7732      ?      ? 
1 1 1   10    0  -15 o  125.113   3.5214  4537.12  253.217  4687.68  369.419  4403.69  347.766  127.067   5.0520  123.159   4.9069 -0.000000 0.000000 
1 1 1   10    1  -15 o   71.304   4.3493  1497.68  173.451  1591.79  223.475  1355.09  275.080   74.192   5.2154   68.416   6.9617 5.776077 8.698627 
1 1 1   10    2  -15 o   51.674   4.6457  779.029  135.796  740.503  211.944  805.859  176.870   50.568   7.2570   52.779   5.8024 -2.210903 9.291451 
1 1 1   10    3  -15 o   16.557   5.4216 -128.1892  114.025 -143.9322  202.132 -120.8411  138.095   18.405   8.4302   14.708   6.8194 3.696717 10.84313 
1 1 1   10    4  -15 o  124.330   2.0647  4438.22  146.960  4269.04  193.783  4667.22  225.461  121.561   2.7602  127.098   3.0715 -5.536392 4.129466 
1 1 1   10    5  -15 o  117.487   2.1602  3900.43  132.550  3788.46  155.876  4192.85  251.899  114.521   2.3567  120.452   3.6210 -5.931183 4.320384 
1 1 1   10    6  -15 o  231.300   1.7503 15355.75  204.683 15659.71  404.669 15251.26  237.273  232.808   3.0097  229.792   1.7878 3.016251 3.500632 
1 1 1   10    7  -15 o  120.488   2.1232  4195.73  145.919  4186.89  224.615  4202.18  191.937  120.372   3.2309  120.603   2.7556 -0.2303543 4.246428 
1 1 1   10    8  -15 o  132.280   2.1505  5063.54  163.681  4963.12  240.841  5149.74  223.131  131.056   3.1819  133.505   2.8939 -2.448807 4.301055 
1 1 1   10    9  -15 o  126.070   2.2492  4591.23  163.770   0.0000   0.0000  4591.23  163.770  ?   ?   126.070   2.2492      ?      ? 
1 1 1   10   10  -15 o   19.512   8.4752 -29.9789  177.574   0.0000   0.0000 -29.9789  177.574  ?   ?    19.512   8.4752      ?      ? 
1 1 1   10   11  -15 o   90.980   3.4929  2486.85  169.714  2141.38  292.401  2662.36  208.412   85.996   5.8873   95.965   3.7603 -9.969452 6.985731 
1 1 1   10   12  -15 o  262.579   1.9555 20022.78  278.166 20214.35  339.832 19633.82  484.232  264.522   2.2244  260.636   3.2169 3.885712 3.911056 
1 1 1   10   13  -15 o  304.603   1.9339 26846.15  323.043 26922.16  398.889 26701.29  550.678  305.264   2.2625  303.943   3.1370 1.320679 3.867816 
1 1 1   10   14  -15 o  176.049   1.8322  8952.99  186.291   0.0000   0.0000  8952.99  186.291  ?   ?   176.049   1.8322      ?      ? 
1 1 1   10   15  -15 o   84.309   3.4594  2092.05  151.054  1980.15  281.954  2137.09  178.892   82.652   5.9066   85.967   3.6031 -3.314491 6.918856 
1 1 1   10   16  -15 o  127.104   2.3856  4714.46  141.642  4598.54  310.050  4745.03  159.228  126.057   4.2587  128.151   2.1514 -2.094131 4.771264 
1 1 1   10   17  -15 o  123.149   2.3096  4382.48  164.271  4382.48  164.271   0.0000   0.0000  123.149   2.3096  ?   ?       ?      ? 
1 1 1   10   18  -15 f  194.412   1.5340 10920.13  171.089 10908.42  229.048 10934.92  257.324  194.301   2.0411  194.523   2.2905 -0.2211304 3.067961 
1 1 1   10   19  -15 o   66.907   2.5188  1310.89   95.887  1409.78  128.241  1185.50  144.401   69.817   3.1804   63.998   3.9068 5.819260 5.037654 
1 1 1   10   20  -15 o   77.139   2.6403  1668.61  107.922  1592.98  127.789  1856.72  201.533   74.218   2.9813   80.060   4.3586 -5.841827 5.280665 
1 1 1   10   21  -15 o  149.449   1.6177  6452.48  139.342  6407.18  190.689  6504.38  204.115  148.891   2.2175  150.007   2.3560 -1.116791 3.235477 
1 1 1   10   22  -15 o  220.736   1.8902 14184.66  219.976 14326.34  262.838 13853.40  401.915  222.650   2.0440  218.823   3.1802 3.826157 3.780431 
1 1 1   10   23  -15 o  182.115   2.1092  9493.81  201.197  9830.79  377.132  9359.74  237.876  184.287   3.5433  179.943   2.2889 4.343384 4.218345 
1 1 1   10   24  -15 o   41.759   5.8090  506.894  140.098  506.894  140.098   0.0000   0.0000   41.759   5.8090  ?   ?       ?      ? 
1 1 1   10   25  -15 o  117.836   2.3923  3902.59  130.329  3827.83  145.095  4214.80  296.529  115.078   2.1831  120.594   4.2575 -5.515984 4.784595 
1 1 1   10   26  -15 o   60.391   3.5337  1056.73  111.967  1054.06  132.932  1063.26  207.720   60.325   3.8155   60.458   5.9490 -0.1323624 7.067392 
1 1 1   10   27  -15 f   37.386   5.5994  423.517  116.734  431.741  173.578  416.726  157.730   37.678   8.2087   37.093   7.6177 0.5856857 11.19882 
1 1 1   10   28  -15 f  216.740   2.0128 13594.18  244.527 13579.86  396.801 13602.95  310.490  216.598   3.1720  216.882   2.4788 -0.2843170 4.025664 
1 1 1   10   29  -15 o  101.525   3.6132  2932.10  197.891  3176.55  355.382  2822.23  238.245  104.414   5.8932   98.637   4.1822 5.777222 7.226364 
1 1 1   10   30  -15 o  115.989   3.6159  3904.05  241.369  4029.85  358.984  3800.25  326.079  117.660   5.2828  114.317   4.9389 3.343506 7.231869 
1 1 1   10   31  -15 o   73.275   5.2325  1564.31  221.439   0.0000   0.0000  1564.31  221.439  ?   ?    73.275   5.2325      ?      ? 
1 1 1   10   32  -15 o   55.272   5.8535  793.449  159.266  1131.62  350.141  705.227  178.838   61.491   9.8593   49.054   6.3125 12.43719 11.70704 
1 1 1   10   33  -15 o   97.268   2.8109  2754.28  155.139  2733.51  242.670  2768.64  201.753   96.894   4.3364   97.643   3.5776 -0.7483139 5.621740 
1 1 1   10   34  -15 o  115.546   2.3205  3897.32  150.698  3787.04  240.951  3968.18  193.133  114.118   3.6559  116.974   2.8588 -2.855827 4.640916 
1 1 1   10   35  -15 o   22.311   8.8114   92.804  167.751   0.0000   0.0000   92.804  167.751  ?   ?    22.311   8.8114      ?      ? 
1 1 1   10   36  -15 o   60.558   5.1076  1089.78  138.079  1120.21  321.955  1082.92  152.849   60.323   9.2412   60.794   4.3533 -0.4712219 10.21523 
1 1 1   10   37  -15 o   84.498   3.6875  2053.71  152.529  2233.68  319.821  2000.73  173.535   86.276   6.4185   82.720   3.6324 3.556450 7.375017 
1 1 1   10   38  -15 o   15.521   5.2102 -210.3615  124.266 -103.1692  191.002 -289.0341  163.632   17.842   8.1805   13.201   6.4549 4.641036 10.42050 
1 1 1   10   39  -15 o   18.135   6.0883 -191.5155  160.283 -132.2475  189.788 -338.9293  299.314   17.064   7.9397   19.206   9.2320 -2.142006 12.17651 
1 1 1   10   40  -15 o   33.408   7.3404  397.911  158.642  450.066  204.164  318.437  252.027   36.084   9.6209   30.732   11.089 5.351957 14.68088 
1 1 1   10   41  -15 o   32.864   7.9056  351.050  175.525  570.197  298.789  235.568  216.897   38.489   12.075   27.239   10.207 11.24985 15.81110 
1 1 1   10   42  -15 o   52.730   4.8623  897.653  144.450  1053.51  198.488  722.170  210.618   58.318   5.8931   47.143   7.7356 11.17511 9.724637 
1 1 1   10   43  -15 o   34.372   6.8196  429.842  140.837  429.098  196.178  430.634  202.312   34.414   9.5392   34.331   9.7483 0.8388901E-01 13.63913 
1 1 1   10   44  -15 o   56.752   4.0295  1005.18  131.586  965.307  177.369  1053.99  196.241   55.643   5.5193   57.862   5.8724 -2.218750 8.059001 
1 1 1   10   45  -15 o   32.171   6.0009  364.383  114.274  496.531  176.357  268.742  150.031   37.175   8.4106   27.167   8.5619 10.00835 12.00183 
1 1 1   10    0  -16 o   94.830   3.9924  2611.91  217.775  2611.91  217.775   0.0000   0.0000   94.830   3.9924   94.830   3.9924 -0.000000 0.000000 
1 1 1   10    1  -16 o  282.825   2.2637 23102.25  369.106 22924.52  506.211 23304.02  539.353  281.669   3.1118  283.981   3.2885 -2.311676 4.527401 
1 1 1   10    2  -16 o  368.998   2.2123 39150.94  446.495 38750.94  547.996 39940.93  770.120  366.244   2.5907  371.752   3.5869 -5.507904 4.424674 
1 1 1   10    3  -16 o  161.451   1.9633  7521.45  166.189  7553.73  308.758  7508.29  197.190  161.677   3.3066  161.224   2.1177 0.4532776 3.926633 
1 1 1   10    4  -16 o  275.239   1.6634 21881.33  264.346 21752.22  369.258 22017.06  378.599  274.407   2.3300  276.071   2.3745 -1.663513 3.326712 
1 1 1   10    5  -16 o  182.969   1.6649  9673.94  175.730  9731.08  243.071  9611.38  254.351  183.537   2.2931  182.402   2.4145 1.135788 3.329851 
1 1 1   10    6  -16 o  258.160   1.9266 19213.79  264.556 19148.19  317.122 19363.94  479.788  257.464   2.1327  258.857   3.2093 -1.393555 3.853263 
1 1 1   10    7  -16 o  207.348   1.5577 12414.74  186.484 12214.09  260.081 12627.05  267.534  205.625   2.1900  209.071   2.2156 -3.446381 3.115326 
1 1 1   10    8  -16 o  171.363   2.1002  8449.88  196.941  8597.23  339.130  8374.91  241.912  172.467   3.4047  170.259   2.4601 2.207870 4.200490 
1 1 1   10    9  -16 o  311.461   1.6159 28012.61  290.527 28391.96  418.821 27660.77  403.350  313.491   2.3132  309.431   2.2570 4.059753 3.231889 
1 1 1   10   10  -16 o  151.080   2.3121  6518.48  176.297  6759.95  350.871  6436.93  203.906  152.896   3.9734  149.264   2.3653 3.631424 4.624169 
1 1 1   10   11  -16 o  157.971   1.7492  7221.65  158.240  7121.12  239.027  7300.09  211.131  156.984   2.6364  158.957   2.2998 -1.972717 3.498493 
1 1 1   10   12  -16 o  211.704   1.7959 12946.56  219.579   0.0000   0.0000 12946.56  219.579  ?   ?   211.704   1.7959      ?      ? 
1 1 1   10   13  -16 o  187.763   1.8704 10277.08  162.208 10040.37  360.670 10337.10  181.611  186.353   3.3511  189.172   1.6623 -2.819244 3.740725 
1 1 1   10   14  -16 o   98.625   3.2771  2814.36  186.322  2792.02  255.373  2839.78  272.453   98.214   4.5021   99.037   4.7633 -0.8224640 6.554253 
1 1 1   10   15  -16 o  275.849   2.0223 21964.88  304.820 22091.50  524.954 21900.48  374.405  276.402   3.2885  275.295   2.3548 1.106903 4.044656 
1 1 1   10   16  -16 o  226.006   1.7248 14856.38  193.596 14948.10  223.130 14577.07  389.378  227.473   1.6984  224.539   3.0026 2.934128 3.449645 
1 1 1   10   17  -16 o  128.127   1.9741  4665.52  122.553  4599.89  139.005  4894.59  259.689  126.177   1.9075  130.077   3.4568 -3.899879 3.948129 
1 1 1   10   18  -16 o  ?   ?  -730.8684  105.742 -724.3696  132.756 -742.1471  174.890  ?   ?   ?   ?       ?      ? 
1 1 1   10   19  -16 f  186.646   1.9577 10069.16  196.345 10062.65  237.508 10083.21  348.956  186.595   2.2039  186.697   3.2363 -0.1019135 3.915456 
1 1 1   10   20  -16 f  458.109   2.1206 60697.41  560.687 60619.30  778.586 60781.55  808.099  457.816   2.9446  458.402   3.0523 -0.5858154 4.241179 
1 1 1   10   21  -16 o   99.631   3.0290  2910.21  129.000  2927.09  141.303  2825.77  316.091  100.624   2.4314   98.638   5.5486 1.985657 6.057950 
1 1 1   10   22  -16 o  159.639   1.4961  7369.41  137.526  7315.44  202.068  7415.98  187.708  159.089   2.1992  160.190   2.0289 -1.100616 2.992178 
1 1 1   10   23  -16 o  246.807   1.5830 17593.09  223.811 17495.43  297.751 17719.95  339.346  246.035   2.0954  247.579   2.3733 -1.543488 3.165926 
1 1 1   10   24  -16 o  163.976   2.3414  7731.96  209.606  7631.55  256.615  7933.23  363.332  162.444   2.7352  165.508   3.8010 -3.064270 4.682852 
1 1 1   10   25  -16 o  166.555   1.5017  8020.12  143.854  7997.25  213.205  8039.25  194.904  166.330   2.2194  166.780   2.0234 -0.4505920 3.003368 
1 1 1   10   26  -16 o   60.596   4.8061  1020.04  120.192  999.052  129.815  1146.11  318.112   58.724   3.8275   62.468   8.8173 -3.743774 9.612214 
1 1 1   10   27  -16 o   96.951   2.5273  2736.14  135.522  2770.87  169.463  2674.51  225.725   97.852   2.9986   96.050   4.0691 1.801949 5.054594 
1 1 1   10   28  -16 o   25.345   9.8531  122.356  207.006   0.0000   0.0000  122.356  207.006  ?   ?    25.345   9.8531      ?      ? 
1 1 1   10   29  -16 o   78.605   3.1080  1792.26  140.577  1589.81  195.166  2010.55  202.659   73.979   4.5678   83.231   4.2159 -9.251617 6.216034 
1 1 1   10   30  -16 f  163.721   2.1775  7915.84  180.032  7448.81  349.131  8085.00  210.122  160.243   3.7724  167.199   2.1760 -6.955673 4.355021 
1 1 1   10   31  -16 o   81.202   4.6807  1919.36  219.518   0.0000   0.0000  1919.36  219.518  ?   ?    81.202   4.6807      ?      ? 
1 1 1   10   32  -16 o   36.941   6.8032  414.085  146.588  519.726  223.992  334.946  193.869   40.845   9.6489   33.037   9.5934 7.808029 13.60646 
1 1 1   10   33  -16 o   96.369   3.2546  2674.70  174.586  2843.49  292.198  2580.98  217.721   98.578   5.1323   94.160   4.0036 4.418182 6.509188 
1 1 1   10   34  -16 o   68.117   4.3630  1407.04  165.820  1552.47  216.206  1199.29  258.408   72.739   5.1465   63.494   7.0467 9.245117 8.725951 
1 1 1   10   35  -16 o  105.001   3.5862  3235.90  215.167  3189.12  283.493  3299.47  330.465  104.243   4.7088  105.759   5.4103 -1.516808 7.172467 
1 1 1   10   36  -16 o   21.097   6.8267 -89.4861  164.103 -144.9035  328.179 -71.0096  189.495   23.576   10.778   18.618   8.3821 4.958567 13.65347 
1 1 1   10   37  -16 o   62.016   4.8259  1211.76  137.655  1088.56  297.041  1245.45  155.343   58.971   8.7215   65.062   4.1341 -6.091011 9.651726 
1 1 1   10   38  -16 o   76.846   4.0379  1675.85  147.417  1973.57  327.249  1600.05  165.120   80.001   7.0827   73.691   3.8797 6.309830 8.075723 
1 1 1   10   39  -16 o   38.034   5.9642  473.095  125.471  514.613  199.662  445.999  161.299   39.094   9.0257   36.974   7.7989 2.119968 11.92841 
1 1 1   10   40  -16 o   81.412   3.6191  1931.36  151.036  2174.82  297.127  1846.53  175.385   83.927   6.1299   78.896   3.8490 5.031311 7.238147 
1 1 1   10   41  -16 o   22.834   6.5221  116.047  136.360  188.977  188.736   36.406  197.229   25.017   9.4887   20.650   8.9508 4.366543 13.04420 
1 1 1   10   42  -16 o   22.854   7.1587  -2.5371  175.318  208.283  311.479 -100.2983  212.108   27.477   11.556   18.231   8.4522 9.246376 14.31737 
1 1 1   10   43  -16 o   35.332   6.5375  472.016  118.948  373.121  291.198  491.822  130.316   30.957   11.776   39.707   5.6826 -8.749178 13.07496 
1 1 1   10   44  -16 o   87.493   3.5514  2366.07  178.976  2327.67  243.663  2411.06  263.748   86.916   4.8541   88.070   5.1853 -1.153786 7.102801 
1 1 1   10    0  -17 o   15.670   7.2612 -19.5201  155.280   44.921  178.301 -221.8534  315.940   15.677   9.7539   15.664   10.759 -0.000000 0.000000 
1 1 1   10    1  -17 o  123.487   1.9857  4440.92  137.851  4249.34  219.437  4565.81  177.175  121.261   3.1333  125.714   2.4403 -4.452736 3.971457 
1 1 1   10    2  -17 o   58.625   3.8716  979.688  129.107  1079.22  204.574  913.804  166.439   61.054   5.8016   56.197   5.1281 4.857677 7.743147 
1 1 1   10    3  -17 o   18.620   6.0192 -132.2516  140.515 -133.9278  227.419 -131.2166  178.708   20.025   9.0834   17.215   7.9004 2.810280 12.03845 
1 1 1   10    4  -17 o   88.294   3.0614  2154.88  130.148  2079.25  146.549  2437.17  283.133   84.824   2.9914   91.764   5.3424 -6.939369 6.122872 
1 1 1   10    5  -17 f   54.778   5.3193  821.790  136.395  789.772  151.857  955.432  310.250   52.242   5.0330   57.314   9.3727 -5.071735 10.63857 
1 1 1   10    6  -17 o  134.389   1.7542  5250.60  129.815  5109.12  218.130  5328.19  161.536  132.968   2.8404  135.811   2.0594 -2.842880 3.508466 
1 1 1   10    7  -17 f  133.868   2.3883  5160.87  170.637  5129.94  204.971  5230.72  307.989  133.242   2.6636  134.493   3.9651 -1.251068 4.776642 
1 1 1   10    8  -17 o  220.452   1.5667 14041.41  199.417 14079.11  278.776 14001.91  285.378  220.757   2.1865  220.148   2.2445 0.6087036 3.133486 
1 1 1   10    9  -17 o  ?   ?  -762.6635  155.490   0.0000   0.0000 -762.6635  155.490  ?   ?   ?   ?       ?      ? 
1 1 1   10   10  -17 o  204.815   1.8966 12140.56  209.493 12172.76  254.436 12072.77  369.142  205.264   2.1463  204.365   3.1275 0.8994293 3.793129 
1 1 1   10   11  -17 o   94.782   3.4038  2597.50  186.326  2597.50  186.326   0.0000   0.0000   94.782   3.4038  ?   ?       ?      ? 
1 1 1   10   12  -17 o  273.122   1.4797 21550.14  230.105 21564.46  356.757 21539.93  301.109  273.188   2.2611  273.056   1.9094 0.1320190 2.959449 
1 1 1   10   13  -17 o  151.633   2.1273  6562.38  161.167  6816.41  325.811  6480.08  185.445  153.509   3.6749  149.757   2.1441 3.751724 4.254655 
1 1 1   10   14  -17 o  123.407   1.8774  4425.04  121.105  4347.57  224.870  4456.69  143.729  122.617   3.1754  124.197   2.0038 -1.579819 3.754743 
1 1 1   10   15  -17 o  224.220   1.5649 14523.44  202.509 14650.22  292.478 14406.69  280.669  225.157   2.2492  223.283   2.1765 1.874039 3.129821 
1 1 1   10   16  -17 o   30.354   7.2927  260.689  146.828  101.148  300.710  310.631  168.247   28.605   11.625   32.103   8.8084 -3.497658 14.58540 
1 1 1   10   17  -17 o   15.069   5.2485 -281.0199  123.555 -514.3496  280.496 -224.8479  137.626   17.451   8.5155   12.686   6.1380 4.764506 10.49706 
1 1 1   10   18  -17 o  148.805   2.1684  6443.54  182.470  6606.05  236.883  6206.40  286.143  151.152   2.7135  146.457   3.3829 4.695450 4.336723 
1 1 1   10   19  -17 f  355.079   2.0607 36374.96  366.952 36647.51  732.125 36283.51  424.064  355.829   3.5625  354.329   2.0722 1.500397 4.121376 
1 1 1   10   20  -17 f   37.880   8.3321  423.390  201.093  434.485  297.691  414.078  272.724   38.394   12.054   37.366   11.506 1.028427 16.66430 
1 1 1   10   21  -17 o  282.152   1.9483 22913.62  266.549 22822.35  303.168 23224.43  559.466  281.032   1.8679  283.271   3.4197 -2.239471 3.896552 
1 1 1   10   22  -17 o  203.290   2.4854 11948.54  291.810   0.0000   0.0000 11948.54  291.810  ?   ?   203.290   2.4854      ?      ? 
1 1 1   10   23  -17 o  191.433   1.8962 10516.58  193.787 10387.49  232.488 10810.43  350.769  189.575   2.1234  193.291   3.1421 -3.716385 3.792344 
1 1 1   10   24  -17 o   81.188   2.8947  1906.76  135.729  1906.76  135.729   0.0000   0.0000   81.188   2.8947  ?   ?       ?      ? 
1 1 1   10   25  -17 o   69.240   3.0757  1396.80  122.051  1451.78  164.753  1329.92  181.701   70.778   4.0304   67.702   4.6470 3.075455 6.151326 
1 1 1   10   26  -17 o  138.533   2.4578  5534.92  193.010  5441.38  249.089  5675.49  305.334  137.110   3.1456  139.956   3.7774 -2.846283 4.915665 
1 1 1   10   27  -17 o  114.390   2.9147  3805.56  191.081  3885.38  256.407  3705.87  286.558  115.776   3.8346  113.004   4.3907 2.772270 5.829471 
1 1 1   10   28  -17 f   82.915   2.8769  1949.43  129.845  1865.10  157.460  2128.64  229.534   80.235   3.3980   85.595   4.6432 -5.360329 5.753723 
1 1 1   10   29  -17 o  122.431   1.9235  4332.45  135.897  4187.46  187.570  4492.64  197.163  120.281   2.7001  124.582   2.7402 -4.301575 3.847000 
1 1 1   10   30  -17 o   74.659   4.5048  1621.39  194.243   0.0000   0.0000  1621.39  194.243  ?   ?    74.659   4.5048      ?      ? 
1 1 1   10   31  -17 o   83.667   5.1816  2069.76  249.048  1809.07  348.758  2341.02  355.762   78.182   7.7239   89.153   6.9093 -10.97159 10.36325 
1 1 1   10   32  -17 o  178.887   2.4187  9368.56  228.744  9107.15  415.165  9482.51  274.102  176.870   4.0643  180.904   2.6235 -4.034332 4.837439 
1 1 1   10   33  -17 f   81.134   3.2121  1912.49  150.516   0.0000   0.0000  1912.49  150.516  ?   ?    81.134   3.2121      ?      ? 
1 1 1   10   34  -17 o   89.283   3.0624  2323.94  156.847  2404.72  237.633  2261.58  208.786   90.594   4.5417   87.972   4.1094 2.622665 6.124865 
1 1 1   10   35  -17 o   32.565   10.567  333.769  227.277  333.769  227.277   0.0000   0.0000   32.565   10.567  ?   ?       ?      ? 
1 1 1   10   36  -17 o   76.247   3.2452  1719.25  135.871  1705.06  230.295  1726.82  168.279   75.744   5.2644   76.750   3.7964 -1.005676 6.490499 
1 1 1   10   37  -17 o   15.330   7.4670 -337.9348  212.962   0.0000   0.0000 -337.9348  212.962  ?   ?    15.330   7.4670      ?      ? 
1 1 1   10   38  -17 o   65.873   4.7762  1302.13  172.725  1470.03  300.758  1219.49  210.988   68.361   7.6176   63.385   5.7635 4.976612 9.552315 
1 1 1   10   39  -17 o   25.167   6.5230  187.943  130.402   72.363  204.686  266.902  169.178   22.103   9.3358   28.232   9.1127 -6.128960 13.04598 
1 1 1   10   40  -17 o   37.445   7.1064  486.634  168.000  759.629  250.808  264.464  226.260   46.654   9.6275   28.236   10.455 18.41844 14.21278 
1 1 1   10   41  -17 o   93.191   3.2585  2565.19  175.378   0.0000   0.0000  2565.19  175.378  ?   ?    93.191   3.2585      ?      ? 
1 1 1   10   42  -17 o   48.611   7.1236  839.845  184.198  907.023  327.997  808.899  222.617   47.760   11.927   49.462   7.7929 -1.702354 14.24716 
1 1 1   10   43  -17 o   29.082   7.9580  322.263  190.347  344.004  271.661  301.296  266.789   29.703   11.356   28.461   11.152 1.241238 15.91598 
1 1 1   10   44  -17 o   29.044   6.3509  343.141  127.372  155.489  240.175  416.570  150.240   23.689   10.065   34.399   7.7485 -10.70987 12.70190 
1 1 1   10    0  -18 o  241.599   2.2742 16861.19  317.098 17403.95  455.200 16349.50  441.980  245.376   3.2133  237.822   3.2192 -0.000000 0.000000 
1 1 1   10    1  -18 o  428.646   1.8567 52991.66  450.917 53604.93  712.276 52581.49  582.506  430.686   2.8635  426.606   2.3642 4.080078 3.713400 
1 1 1   10    2  -18 o  199.106   1.5746 11453.43  180.865 11461.01  250.068 11445.11  261.905  199.177   2.1739  199.034   2.2784 0.1425171 3.149101 
1 1 1   10    3  -18 o  136.238   1.9302  5363.76  151.206  5362.03  224.586  5365.19  204.497  136.214   2.8548  136.263   2.5985 -0.4919434E-01 3.860339 
1 1 1   10    4  -18 o  289.076   1.9780 24319.17  281.146 24475.33  322.547 23825.30  573.607  291.078   1.9187  287.073   3.4597 4.005463 3.956093 
1 1 1   10    5  -18 o  293.118   1.9427 24819.99  328.877   0.0000   0.0000 24819.99  328.877  ?   ?   293.118   1.9427      ?      ? 
1 1 1   10    6  -18 o  158.370   2.0628  7267.90  163.143  7286.69  188.368  7211.48  326.355  158.816   2.0537  157.925   3.5781 0.8907928 4.125575 
1 1 1   10    7  -18 o  103.572   3.4648  3040.28  195.932  3303.62  343.945  2913.76  238.394  106.784   5.5770  100.360   4.1129 6.423386 6.929557 
1 1 1   10    8  -18 o  325.363   2.3818 30603.39  447.491 30845.66  639.707 30371.24  626.205  326.621   3.3912  324.105   3.3454 2.516022 4.763584 
1 1 1   10    9  -18 o  304.665   1.5636 26809.31  271.345 26878.55  420.274 26759.82  355.330  304.988   2.3860  304.342   2.0216 0.6460266 3.127226 
1 1 1   10   10  -18 o  182.925   2.2723  9665.52  238.193  9749.46  360.748  9600.64  317.158  183.614   3.4018  182.235   3.0134 1.379105 4.544569 
1 1 1   10   11  -18 o  292.039   2.2361 24657.21  376.305 24706.12  551.125 24614.49  515.056  292.298   3.2647  291.780   3.0564 0.5177917 4.472105 
1 1 1   10   12  -18 o  157.526   1.6360  7158.66  148.332  7028.30  200.837  7315.12  220.019  155.955   2.2298  159.097   2.3945 -3.142151 3.271909 
1 1 1   10   13  -18 o   93.927   2.8850  2554.50  152.301  2556.96  194.264  2550.58  245.343   94.012   3.5779   93.842   4.5268 0.1697388 5.770018 
1 1 1   10   14  -18 o  104.073   3.0900  3213.35  170.058  2942.94  303.680  3336.88  205.260  100.740   5.2195  107.405   3.3090 -6.665359 6.180004 
1 1 1   10   15  -18 o   35.188   7.1027  410.360  154.207  117.749  312.004  504.944  177.387   29.423   11.882   40.952   7.7845 -11.52899 14.20536 
1 1 1   10   16  -18 o  133.281   2.0583  5157.20  157.471  4931.62  232.981  5346.93  213.667  130.575   3.0894  135.987   2.7205 -5.412064 4.116515 
1 1 1   10   17  -18 o  137.507   2.8552  5468.15  226.748   0.0000   0.0000  5468.15  226.748  ?   ?   137.507   2.8552      ?      ? 
1 1 1   10   18  -18 f  247.892   1.9131 17771.12  260.214 17774.94  321.310 17763.85  443.572  247.983   2.2435  247.800   3.0994 0.1829834 3.826138 
1 1 1   10   19  -18 o   34.833   7.8290  368.289  153.667   0.0000   0.0000  368.289  153.667  ?   ?    34.833   7.8290      ?      ? 
1 1 1   10   20  -18 o  129.446   2.6913  4953.41  179.645  4626.12  336.468  5083.91  212.462  126.307   4.6124  132.585   2.7746 -6.277710 5.382657 
1 1 1   10   21  -18 o  155.933   1.8004  7022.91  156.462  7001.46  196.801  7059.74  257.945  155.636   2.1894  156.230   2.8588 -0.5941162 3.600850 
1 1 1   10   22  -18 o   71.882   3.4299  1495.69  142.393  1495.69  142.393   0.0000   0.0000   71.882   3.4299  ?   ?       ?      ? 
1 1 1   10   23  -18 o   75.060   3.1203  1575.86  131.988  1900.14  217.699  1387.38  165.971   80.932   4.6575   69.187   4.1535 11.74422 6.240538 
1 1 1   10   24  -18 o   55.035   5.7727  927.381  119.844  936.975  129.102  867.597  322.280   56.864   3.9311   53.205   10.856 3.658382 11.54547 
1 1 1   10   25  -18 o  103.055   2.0692  3099.35  121.553  2889.31  183.796  3262.63  162.053   99.906   3.1854  106.205   2.6420 -6.298431 4.138419 
1 1 1   10   26  -18 f   42.124   5.1818  554.245  106.414  582.384  124.436  477.655  205.295   44.774   4.8121   39.475   9.1786 5.299118 10.36353 
1 1 1   10   27  -18 o   63.848   4.3509  1183.58  160.439  1183.58  160.439   0.0000   0.0000   63.848   4.3509  ?   ?       ?      ? 
1 1 1   10   28  -18 o  160.539   2.2501  7394.40  181.171  7612.43  363.231  7322.20  209.028  161.973   3.8829  159.105   2.2748 2.867188 4.500163 
1 1 1   10   29  -18 o   73.725   3.1789  1579.11  135.099  1611.48  198.054  1550.94  184.757   74.417   4.6081   73.033   4.3802 1.384377 6.357773 
1 1 1   10   30  -18 o   65.349   3.9422  1278.21  143.781  1385.65  186.122  1119.20  226.425   68.958   4.6733   61.739   6.3500 7.218597 7.884362 
1 1 1   10   31  -18 o  188.373   2.5979 10296.82  282.286 10653.00  411.848  9981.23  387.672  191.423   3.7253  185.323   3.6220 6.099716 5.195819 
1 1 1   10   32  -18 o   54.460   5.8658  893.402  183.390  920.726  248.755  860.870  271.431   55.505   7.7598   53.414   8.7987 2.091312 11.73167 
1 1 1   10   33  -18 o   88.363   2.9190  2390.97  129.195  2055.38  246.857  2517.57  151.617   83.611   5.1121   93.115   2.8193 -9.503914 5.837980 
1 1 1   10   34  -18 o  157.099   2.4097  7149.04  200.439  7314.69  367.372  7078.83  239.175  158.089   4.0236  156.109   2.6528 1.979126 4.819439 
1 1 1   10   35  -18 o   50.219   6.3359  780.824  143.079  830.260  321.167  768.584  159.814   49.609   11.443   50.829   5.4440 -1.219906 12.67179 
1 1 1   10   36  -18 o  113.956   2.7843  3862.92  176.349  3663.63  287.561  3983.04  223.259  111.260   4.4751  116.651   3.3139 -5.390091 5.568519 
1 1 1   10   37  -18 o   63.138   3.7792  1177.65  136.328  1359.71  212.685  1050.68  177.614   67.133   5.4855   59.142   5.1999 7.991314 7.558420 
1 1 1   10   38  -18 o   49.343   4.5692  736.070  126.225  827.065  209.965  684.571  157.956   51.341   7.0810   47.344   5.7767 3.996662 9.138448 
1 1 1   10   39  -18 o   51.695   4.7273  831.321  134.281  861.610  228.504  815.344  165.962   51.778   7.6413   51.612   5.5677 0.1659966 9.454521 
1 1 1   10   40  -18 o  125.912   2.7413  4572.54  163.080  4991.70  359.124  4463.65  183.042  128.349   4.8447  123.476   2.5667 4.872902 5.482645 
1 1 1   10   41  -18 o   22.222   6.7266   82.538  151.133   74.248  242.885   87.776  193.060   22.818   9.9115   21.626   9.0968 1.191975 13.45323 
1 1 1   10   42  -18 o   43.385   5.2035  634.313  113.737  600.032  208.341  648.867  135.750   40.907   9.0575   45.863   5.1250 -4.955585 10.40697 
1 1 1   10   43  -18 o   25.765   6.6743  232.621  116.692  203.683  270.791  239.220  129.315   25.513   10.755   26.017   7.9067 -0.5036831 13.34861 
1 1 1   10    0  -19 o  171.320   2.3688  8439.63  230.417  8216.98  298.376  8768.58  362.670  168.559   3.0673  174.081   3.6107 -0.000000 0.000000 
1 1 1   10    1  -19 o   14.434   7.2944 -1056.4940  153.489 -992.2985  293.915 -1080.5649  179.980   14.434   7.2944  ?   ?       ?      ? 
1 1 1   10    2  -19 o  160.942   2.4778  7499.99  229.678  7637.03  315.035  7344.51  335.562  162.522   3.3563  159.361   3.6459 3.160843 4.955537 
1 1 1   10    3  -19 f   93.145   3.0439  2527.73  161.838  2638.27  215.945  2386.09  244.441   95.501   3.9152   90.789   4.6618 4.711662 6.087795 
1 1 1   10    4  -19 o  249.049   2.0002 17942.63  262.528 17964.22  312.884 17891.28  482.551  249.350   2.1727  248.749   3.3589 0.6005859 4.000321 
1 1 1   10    5  -19 o   17.267   5.9455 -282.6753  136.323 -282.3443  151.902 -284.0452  309.026   12.841   6.2661   21.693   10.106 -8.852119 11.89110 
1 1 1   10    6  -19 o  233.068   1.2039 15653.33  159.385 15483.09  206.889 15901.88  249.985  231.520   1.5473  234.615   1.8449 -3.095779 2.407834 
1 1 1   10    7  -19 o  132.308   1.8831  5057.30  143.892  5057.30  143.892   0.0000   0.0000  132.308   1.8831  ?   ?       ?      ? 
1 1 1   10    8  -19 o  124.669   1.9850  4496.00  142.815  4660.77  200.977  4327.92  202.981  126.981   2.7405  122.357   2.8724 4.624077 3.969966 
1 1 1   10    9  -19 o  261.056   2.0675 19597.71  286.034 19440.47  341.525 19967.11  523.479  259.371   2.2799  262.741   3.4497 -3.369476 4.135052 
1 1 1   10   10  -19 o  135.928   2.4649  5380.25  177.181  5434.14  212.181  5256.11  322.041  137.109   2.6795  134.748   4.1381 2.360474 4.929891 
1 1 1   10   11  -19 o   74.641   4.7202  1733.02  175.159  1390.55  331.975  1865.14  206.196   69.034   8.3264   80.248   4.4490 -11.21378 9.440475 
1 1 1   10   12  -19 o  146.598   2.3508  6211.56  180.296  6204.46  213.660  6229.14  336.003  146.506   2.5251  146.689   3.9661 -0.1829834 4.701694 
1 1 1   10   13  -19 o  125.158   2.9481  4539.78  209.718  4517.85  326.564  4555.17  273.590  124.868   4.5282  125.448   3.7762 -0.5792694 5.896143 
1 1 1   10   14  -19 o   29.698   6.3822  170.692  137.928  492.379  220.010 -37.6051  177.039   40.184   9.6096   19.212   8.4014 20.97185 12.76434 
1 1 1   10   15  -19 o   19.238   6.1950 -125.5183  149.298 -82.4518  190.431 -194.2132  240.508   18.916   8.4684   19.560   9.0442 -0.6435261 12.38998 
1 1 1   10   16  -19 o   48.966   7.5783  737.013  208.091  680.874  304.638  786.121  284.920   47.082   11.339   50.851   10.058 -3.769047 15.15660 
1 1 1   10   17  -19 o  220.146   1.5201 14041.25  188.507 14162.92  241.826 13852.83  300.943  221.386   1.8913  218.906   2.3804 2.480637 3.040269 
1 1 1   10   18  -19 o  137.570   2.5856  5592.69  183.202  5226.65  343.873  5737.77  216.483  134.278   4.4341  140.862   2.6610 -6.584198 5.171289 
1 1 1   10   19  -19 o  138.977   2.2730  5583.21  182.444   0.0000   0.0000  5583.21  182.444  ?   ?   138.977   2.2730      ?      ? 
1 1 1   10   20  -19 o  333.763   2.4384 32244.76  469.999 32290.38  669.281 32200.37  660.169  333.991   3.4697  333.535   3.4271 0.4559937 4.876856 
1 1 1   10   21  -19 o  149.940   2.5682  6525.94  212.305  6564.24  263.983  6455.79  357.230  150.626   3.0345  149.254   4.1442 1.372238 5.136372 
1 1 1   10   22  -19 o  149.382   2.5659  6372.16  212.676  6150.28  264.010  6782.29  358.938  145.784   3.1356  152.981   4.0625 -7.197388 5.131896 
1 1 1   10   23  -19 o   78.463   2.6551  1770.08  119.693  1912.89  180.849  1658.77  159.667   81.251   3.8539   75.675   3.6532 5.576172 5.310215 
1 1 1   10   24  -19 o   81.907   3.3315  1999.98  142.998  1820.97  258.830  2078.62  171.557   79.100   5.6657   84.714   3.5064 -5.614815 6.662990 
1 1 1   10   25  -19 o  103.002   2.1040  3022.35  118.343  2926.73  144.310  3218.70  206.793  100.591   2.4840  105.414   3.3967 -4.823212 4.208045 
1 1 1   10   26  -19 o  126.792   2.2442  4649.15  164.341  4649.15  164.341   0.0000   0.0000  126.792   2.2442  ?   ?       ?      ? 
1 1 1   10   27  -19 o   61.772   3.2435  1072.71  108.274  1010.66  130.029  1213.03  195.530   59.020   3.8146   64.525   5.2469 -5.504250 6.487014 
1 1 1   10   28  -19 o  147.147   1.8276  6282.69  154.253  6134.39  230.626  6402.73  207.495  145.549   2.7436  148.745   2.4154 -3.195404 3.655274 
1 1 1   10   29  -19 o  112.580   1.9772  3673.08  128.502  3795.51  181.682  3550.52  181.777  114.464   2.7483  110.696   2.8433 3.767990 3.954394 
1 1 1   10   30  -19 o  120.555   2.6003  4052.34  141.465  3953.35  156.139  4506.00  334.255  116.852   2.3136  124.257   4.6577 -7.405251 5.200655 
1 1 1   10   31  -19 o   81.470   4.6926  1941.16  220.800   0.0000   0.0000  1941.16  220.800  ?   ?    81.470   4.6926      ?      ? 
1 1 1   10   32  -19 o  157.311   2.8076  7185.06  255.085  7185.06  255.085   0.0000   0.0000  157.311   2.8076  ?   ?       ?      ? 
1 1 1   10   33  -19 o  109.999   2.7433  3394.38  148.468  3815.93  312.147  3271.13  168.782  113.898   4.7452  106.100   2.7544 7.798996 5.486689 
1 1 1   10   34  -19 o   63.537   3.7446  1191.80  135.873  1242.29  210.070  1155.49  178.156   64.573   5.6328   62.500   4.9355 2.073196 7.489202 
1 1 1   10   35  -19 f   91.500   3.7181  2470.82  194.696  2703.76  300.634  2302.55  255.517   95.046   5.4767   87.953   5.0302 7.092705 7.436174 
1 1 1   10   36  -19 o   27.277   6.2121  139.371  120.085  474.213  215.311 -11.8124  144.676   37.288   9.8507   17.265   7.5713 20.02218 12.42424 
1 1 1   10   37  -19 o   39.938   5.8495  592.655  126.983  319.994  216.065  736.527  156.950   30.624   10.316   49.252   5.5176 -18.62843 11.69905 
1 1 1   10   38  -19 o   47.417   7.2704  850.964  178.107  652.998  341.326  925.037  208.786   40.474   12.931   54.361   6.6501 -13.88691 14.54086 
1 1 1   10   39  -19 o   21.182   8.6766   92.879  169.183   0.0000   0.0000   92.879  169.183  ?   ?    21.182   8.6766      ?      ? 
1 1 1   10   40  -19 o   49.829   4.3303  776.953  122.581  782.011  190.942  773.406  159.877   49.607   6.6645   50.050   5.5309 -0.4423523 8.660678 
1 1 1   10   41  -19 o   30.807   7.7440  373.928  174.747  420.216  204.801  250.016  335.082   33.505   9.8978   28.109   11.913 5.396212 15.48809 
1 1 1   10   42  -19 o   43.414   6.0903  664.217  144.746  711.410  230.008  633.272  186.251   43.974   9.3446   42.853   7.8132 1.120586 12.18068 
1 1 1   10    0  -20 o  149.944   2.3469  6499.12  191.148  6529.48  332.193  6484.10  233.715  150.151   3.8364  149.738   2.7045 -0.000000 0.000000 
1 1 1   10    1  -20 o  356.750   1.8493 36789.33  380.965 37538.66  538.690 36039.57  538.841  360.388   2.5881  353.112   2.6422 7.275787 3.698576 
1 1 1   10    2  -20 o   46.513   4.2199  632.294  112.461  707.291  156.779  552.802  161.409   49.391   5.4961   43.634   6.4050 5.757267 8.439802 
1 1 1   10    3  -20 o  113.323   1.8183  3714.00  118.684  3679.99  173.976  3743.60  162.320  112.833   2.6697  113.812   2.4694 -0.9789429 3.636690 
1 1 1   10    4  -20 o  219.855   2.0443 13937.18  242.204 13871.94  293.424 14076.68  429.068  219.094   2.3189  220.615   3.3675 -1.520889 4.088663 
1 1 1   10    5  -20 o  294.346   1.5227 25042.48  253.858 24999.16  400.097 25071.67  328.435  294.115   2.3554  294.578   1.9305 -0.4637146 3.045424 
1 1 1   10    6  -20 o   95.433   3.1962  2777.10  145.806  2898.39  167.035  2388.86  298.856  100.124   2.8886   90.741   5.7026 9.383469 6.392454 
1 1 1   10    7  -20 o   94.254   2.5041  2571.88  136.216  2664.32  191.754  2477.71  193.535   95.969   3.4596   92.539   3.6212 3.429779 5.008177 
1 1 1   10    8  -20 f  149.924   2.4208  6600.25  195.529  6226.38  340.424  6784.31  238.859  146.657   4.0191  153.191   2.6997 -6.533707 4.841695 
1 1 1   10    9  -20 o  132.552   1.7880  5088.11  124.913  5101.50  148.932  5056.34  229.387  132.874   1.9407  132.230   3.0037 0.6445313 3.576099 
1 1 1   10   10  -20 o  192.429   1.4906 10680.41  164.069 10845.14  250.832 10557.23  216.904  193.714   2.2420  191.143   1.9648 2.570251 2.981131 
1 1 1   10   11  -20 o  136.703   1.5052  5397.29  118.138  5370.17  158.494  5431.20  177.214  136.322   2.0131  137.083   2.2384 -0.7611694 3.010434 
1 1 1   10   12  -20 o   48.334   4.5306  677.797  119.566  674.267  146.714  684.777  206.320   48.203   5.2700   48.465   7.3711 -0.2614098 9.061182 
1 1 1   10   13  -20 o   63.635   4.8883  1166.67  165.006  1147.44  196.845  1212.12  302.604   62.868   5.4214   64.402   8.1356 -1.533699 9.776507 
1 1 1   10   14  -20 o   72.430   3.2634  1534.42  133.100  1585.69  171.852  1457.55  210.413   73.991   4.0215   70.870   5.1407 3.120338 6.526850 
1 1 1   10   15  -20 o   49.152   4.0375  694.038  113.594  576.709  152.678  839.512  170.008   44.539   5.9354   53.764   5.4751 -9.225155 8.074963 
1 1 1   10   16  -20 o   26.975   7.4896   99.402  159.721   42.251  190.910  232.721  291.584   22.173   9.1644   31.777   11.849 -9.603199 14.97922 
1 1 1   10   17  -20 o  112.030   2.0980  3596.81  133.505  3454.16  172.260  3811.37  211.263  109.289   2.7291  114.770   3.1872 -5.481430 4.195987 
1 1 1   10   18  -20 f   78.352   3.6895  1864.04  143.225  1621.58  279.554  1950.34  166.776   74.623   6.4864   82.081   3.5181 -7.457352 7.379069 
1 1 1   10   19  -20 o  232.948   1.5974 15689.83  214.846 15845.80  301.154 15528.17  306.595  234.131   2.2271  231.766   2.2905 2.365234 3.194757 
1 1 1   10   20  -20 o  107.072   3.2666  3344.41  185.668  3277.39  335.337  3374.04  222.963  106.198   5.4674  107.947   3.5763 -1.749214 6.533202 
1 1 1   10   21  -20 o   57.453   5.0560  964.417  167.104  1078.19  239.278  856.101  233.470   60.791   6.8152   54.114   7.4703 6.677258 10.11196 
1 1 1   10   22  -20 o  179.798   2.5622  9358.32  263.850  9408.83  400.219  9319.49  350.906  180.192   3.8457  179.404   3.3867 0.7875977 5.124359 
1 1 1   10   23  -20 o   73.772   5.2607  1582.57  224.142   0.0000   0.0000  1582.57  224.142  ?   ?    73.772   5.2607      ?      ? 
1 1 1   10   24  -20 o  225.396   2.6085 14697.96  339.567   0.0000   0.0000 14697.96  339.567  ?   ?   225.396   2.6085      ?      ? 
1 1 1   10   25  -20 o   83.685   3.3323  2074.09  154.880  1885.98  250.162  2191.02  197.225   80.465   5.3830   86.904   3.9295 -6.438766 6.664686 
1 1 1   10   26  -20 o  107.776   2.1060  3365.82  130.786  3388.82  179.336  3339.69  191.146  108.181   2.8703  107.371   3.0824 0.8095245 4.211912 
1 1 1   10   27  -20 o   71.646   3.1001  1491.27  120.843  1487.80  147.855  1498.24  209.721   71.607   3.5752   71.685   5.0656 -0.7826233E-01 6.200176 
1 1 1   10   28  -20 f   50.320   4.0275  744.468  106.811  749.035  127.565  733.758  195.364   50.723   4.3545   49.917   6.7765 0.8062210 8.055007 
1 1 1   10   29  -20 o   12.183   4.2349 -310.0622  104.597 -400.4169  151.198 -227.1327  144.852   11.300   5.6435   13.066   6.3158 -1.766657 8.469810 
1 1 1   10   30  -20 o   97.181   1.9438  2735.71  105.319  2725.50  132.550  2753.19  173.454   96.991   2.3663   97.371   3.0844 -0.3798599 3.887508 
1 1 1   10   31  -20 o   22.751   5.7662  139.385   95.532  172.803  114.607   63.302  172.929   24.000   7.4703   21.502   8.7859 2.497999 11.53243 
1 1 1   10   32  -20 o   91.513   2.5678  2347.92  121.054  2238.21  140.647  2661.48  237.771   87.759   2.7749   95.268   4.3214 -7.509087 5.135666 
1 1 1   10   33  -20 o  134.464   2.4691  5261.77  171.689  5336.45  326.534  5233.23  201.842  134.762   4.1954  134.166   2.6049 0.5964966 4.938294 
1 1 1   10   34  -20 o   75.829   4.6941  1704.56  205.576   0.0000   0.0000  1704.56  205.576  ?   ?    75.829   4.6941      ?      ? 
1 1 1   10   35  -20 o   49.049   7.6742  823.349  207.150  882.692  335.040  786.624  263.565   49.728   11.837   48.371   9.7708 1.356907 15.34835 
1 1 1   10   36  -20 o   54.224   5.4184  932.351  169.557  975.328  240.660  889.989  238.929   55.568   7.4989   52.881   7.8232 2.686729 10.83677 
1 1 1   10   37  -20 o   77.954   3.1995  1866.48  124.483  1728.38  242.853  1915.69  144.978   75.189   5.5925   80.720   3.1098 -5.530678 6.398982 
1 1 1   10   38  -20 o   49.674   6.8604  963.442  155.223  669.634  331.148  1046.17  175.723   40.755   12.700   58.593   5.1927 -17.83858 13.72089 
1 1 1   10   39  -20 f   24.087   7.0036  140.487  155.154  178.813  237.787  112.072  204.745   25.422   10.335   22.753   9.4542 2.669271 14.00713 
1 1 1   10   40  -20 o   32.190   6.5907  377.071  130.243  418.217  183.913  335.675  184.473   34.040   9.1555   30.341   9.4831 3.698284 13.18149 
1 1 1   10   41  -20 o   21.766   8.8375  125.300  173.589   0.0000   0.0000  125.300  173.589  ?   ?    21.766   8.8375      ?      ? 
1 1 1   10    0  -21 o   23.102   9.2600  203.860  191.423  173.834  268.504  234.896  272.977   22.071   12.825   24.133   13.361 -0.000000 0.000000 
1 1 1   10    1  -21 o   99.153   2.2089  2851.19  120.139  2868.65  148.519  2818.14  204.342   99.618   2.5814   98.689   3.5851 0.9282837 4.417783 
1 1 1   10    2  -21 o  186.066   1.3517 10008.65  145.105 10135.23  201.376  9871.96  209.270  187.293   1.8617  184.839   1.9603 2.454025 2.703452 
1 1 1   10    3  -21 o  123.998   2.5004  4433.89  162.265  4484.07  302.828  4413.68  192.184  124.437   4.2137  123.559   2.6931 0.8782654 5.000797 
1 1 1   10    4  -21 o   66.973   2.8533  1306.40  109.668  1162.74  157.381  1441.99  152.903   63.361   4.3008   70.585   3.7507 -7.224648 5.706539 
1 1 1   10    5  -21 o   27.056   5.7922  214.999   98.387  201.971  139.727  227.809  138.560   26.410   8.2531   27.702   8.1293 -1.292294 11.58443 
1 1 1   10    6  -21 o   68.253   2.4326  1338.04   95.431  1252.73  127.548  1446.51  143.833   65.803   3.3562   70.703   3.5224 -4.899727 4.865291 
1 1 1   10    7  -21 o  149.781   1.8338  6485.00  158.619  6357.93  223.066  6614.98  225.598  148.296   2.6045  151.266   2.5823 -2.969467 3.667637 
1 1 1   10    8  -21 f   50.784   6.3149  918.040  139.527  1025.39  158.057  539.058  296.978   59.480   4.6011   42.089   11.762 17.39121 12.62983 
1 1 1   10    9  -21 o  113.221   1.9960  3729.44  126.965  3607.99  203.061  3807.40  162.689  111.679   3.1482  114.764   2.4545 -3.084305 3.992007 
1 1 1   10   10  -21 o   63.766   3.6522  1115.35  130.534  1476.18  219.102  916.806  162.525   71.314   5.3197   56.218   5.0057 15.09663 7.304496 
1 1 1   10   11  -21 o   24.922   6.6638  106.901  138.510  228.715  197.476 -11.0573  194.326   28.972   9.8620   20.871   8.9647 8.100864 13.32756 
1 1 1   10   12  -21 o  230.840   1.4547 15397.79  193.217 15371.88  262.064 15428.65  286.003  230.636   1.9674  231.045   2.1433 -0.4096832 2.909389 
1 1 1   10   13  -21 o  140.218   2.9677  5690.16  239.920  5805.48  351.181  5589.22  328.545  141.537   4.2961  138.898   4.0955 2.638702 5.935493 
1 1 1   10   14  -21 o  241.339   1.4319 16824.34  189.712 16805.46  234.307 16860.30  323.255  241.172   1.6822  241.506   2.3176 -0.3332977 2.863715 
1 1 1   10   15  -21 o   75.933   4.4546  1672.24  190.399  1652.52  242.779  1703.75  306.875   75.417   5.5739   76.448   6.9504 -1.031319 8.909291 
1 1 1   10   16  -21 o  106.309   2.3006  3277.72  139.753  3322.25  185.361  3219.07  212.736  107.164   2.9949  105.453   3.4930 1.711044 4.601124 
1 1 1   10   17  -21 o  133.720   2.7343  5156.34  195.185  5239.70  352.284  5119.42  234.462  134.420   4.5378  133.021   3.0519 1.399124 5.468589 
1 1 1   10   18  -21 o  111.002   2.2902  3527.52  145.298  3317.03  190.005  3823.96  225.486  107.069   3.0727  114.935   3.3969 -7.865326 4.580414 
1 1 1   10   19  -21 o   51.552   6.8048  945.932  154.022  1047.77  173.353  564.189  335.634   60.072   4.9966   43.033   12.659 17.03853 13.60954 
1 1 1   10   20  -21 f  189.124   2.1746 10269.04  218.219 10145.47  260.561 10559.31  399.347  187.313   2.4085  190.934   3.6214 -3.621292 4.349243 
1 1 1   10   21  -21 o   87.242   3.5449  2204.64  178.613  2204.64  178.613   0.0000   0.0000   87.242   3.5449  ?   ?       ?      ? 
1 1 1   10   22  -21 o  234.501   2.0869 15834.55  264.027 15689.58  319.866 16144.51  467.715  232.919   2.3778  236.082   3.4303 -3.163223 4.173838 
1 1 1   10   23  -21 o  147.736   2.7362  6230.66  219.826  6621.90  387.112  6044.46  267.063  151.007   4.4387  144.466   3.2008 6.540146 5.472404 
1 1 1   10   24  -21 o   70.426   4.3245  1440.67  175.898   0.0000   0.0000  1440.67  175.898  ?   ?    70.426   4.3245      ?      ? 
1 1 1   10   25  -21 o   54.645   7.3784  1009.61  176.607  750.669  398.905  1072.74  196.963   48.673   13.642   60.617   5.6261 -11.94381 14.75680 
1 1 1   10   26  -21 o   38.152   7.4636  453.249  170.807  502.373  237.596  400.706  245.725   40.142   10.221   36.162   10.879 3.979679 14.92729 
1 1 1   10   27  -21 o  115.172   2.1003  3840.52  138.887  3891.21  208.591  3800.15  186.152  115.831   3.1181  114.513   2.8147 1.317566 4.200557 
1 1 1   10   28  -21 o  107.420   3.1478  3349.26  195.290  3349.26  195.290   0.0000   0.0000  107.420   3.1478  ?   ?       ?      ? 
1 1 1   10   29  -21 o  133.511   2.5673  5154.14  166.587  5125.04  189.654  5252.44  348.523  132.975   2.4695  134.046   4.5019 -1.071030 5.134692 
1 1 1   10   30  -21 f   87.691   2.3092  2217.86  106.383  2190.64  126.134  2284.92  198.006   86.902   2.5131   88.480   3.8748 -1.577515 4.618420 
1 1 1   10   31  -21 o   11.114   5.6299 -625.9279  181.543   0.0000   0.0000 -625.9279  181.543  ?   ?    11.114   5.6299      ?      ? 
1 1 1   10   32  -21 o   86.137   3.1469  2188.97  155.027  2159.18  235.266  2211.84  206.099   85.495   4.7647   86.780   4.1122 -1.285011 6.293834 
1 1 1   10   33  -21 o   67.780   5.5220  1375.77  216.164  1375.77  216.164   0.0000   0.0000   67.780   5.5220  ?   ?       ?      ? 
1 1 1   10   34  -21 o   33.308   6.7773  418.809  146.264  115.080  300.908  512.770  167.365   26.590   11.280   40.027   7.5159 -13.43652 13.55465 
1 1 1   10   35  -21 o  ?   ?  -721.5777  166.295   0.0000   0.0000 -721.5777  166.295  ?   ?   ?   ?       ?      ? 
1 1 1   10   36  -21 o   77.613   3.3715  1803.62  150.057  1894.39  228.203  1734.47  199.173   79.173   4.9907   76.053   4.5345 3.119675 6.743010 
1 1 1   10   37  -21 o   60.473   4.5708  1101.01  159.637   0.0000   0.0000  1101.01  159.637  ?   ?    60.473   4.5708      ?      ? 
1 1 1   10   38  -21 o   61.520   4.8675  1113.93  160.584  969.301  189.894  1476.99  300.871   55.840   5.8882   67.200   7.7523 -11.36016 9.734911 
1 1 1   10   39  -21 o   64.482   4.5663  1273.33  144.796  1420.28  299.715  1228.59  165.376   65.286   7.9488   63.677   4.4968 1.608883 9.132624 
1 1 1   10   40  -21 o   32.842   5.9720  418.855  123.642  219.448  213.696  519.202  151.592   25.573   9.9919   40.111   6.5438 -14.53779 11.94398 
1 1 1   10   41  -21 o   16.819   5.6932 -219.5342  155.240 -29.8310  236.853 -362.4002  205.545   19.712   9.0643   13.926   6.8912 5.785543 11.38635 
1 1 1   10    0  -22 o   81.196   3.8426  1845.73  161.276  1736.68  188.682  2141.47  310.719   77.138   4.2651   85.255   6.3931 -0.000000 0.000000 
1 1 1   10    1  -22 o  204.572   1.5386 12115.30  178.825 12208.95  233.301 11981.91  278.437  205.548   1.9652  203.597   2.3679 1.951538 3.077229 
1 1 1   10    2  -22 o  174.268   2.1436  8750.69  203.916  8682.60  249.918  8886.31  352.705  173.304   2.4969  175.233   3.4851 -1.929688 4.287217 
1 1 1   10    3  -22 o  168.253   2.0404  8150.55  172.705  8261.24  343.461  8113.09  199.801  168.953   3.5199  167.552   2.0647 1.400818 4.080752 
1 1 1   10    4  -22 o  121.404   1.9043  4267.35  132.076  4300.83  174.773  4222.78  201.668  121.971   2.4810  120.836   2.8897 1.135612 3.808676 
1 1 1   10    5  -22 f  151.554   1.9534  6642.13  170.964  6620.00  243.135  6663.77  240.447  151.303   2.7824  151.805   2.7425 -0.5024872 3.906789 
1 1 1   10    6  -22 o  165.992   1.8025  7963.86  172.585  7921.77  237.882  8010.63  250.770  165.534   2.4882  166.450   2.6086 -0.9164734 3.605001 
1 1 1   10    7  -22 o  ?   ?  -798.9461  135.800 -827.0335  192.536 -771.1409  191.567  ?   ?   ?   ?       ?      ? 
1 1 1   10    8  -22 o   92.799   3.4285  2589.14  152.120  2666.14  173.607  2334.55  315.677   95.998   3.1313   89.599   6.1003 6.398842 6.857023 
1 1 1   10    9  -22 o  143.729   2.5156  6018.83  197.915  6104.56  244.649  5856.46  336.678  145.277   2.9158  142.182   4.1000 3.095398 5.031119 
1 1 1   10   10  -22 o  142.840   1.9789  5908.54  163.032  5686.21  233.694  6119.34  227.552  140.212   2.8859  145.468   2.7085 -5.256042 3.957803 
1 1 1   10   11  -22 o  329.339   1.6598 31344.18  311.487 31287.74  408.298 31422.77  481.785  329.013   2.1487  329.665   2.5304 -0.6517334 3.319647 
1 1 1   10   12  -22 o   55.435   6.3644  894.469  203.763   0.0000   0.0000  894.469  203.763  ?   ?    55.435   6.3644      ?      ? 
1 1 1   10   13  -22 o  112.324   3.2822  3639.91  198.469  3711.36  352.948  3606.87  240.009  113.040   5.4062  111.607   3.7235 1.433533 6.564406 
1 1 1   10   14  -22 o   91.983   3.8244  2424.16  187.570  2372.15  224.374  2544.84  341.798   90.467   4.2944   93.499   6.3296 -3.032555 7.648892 
1 1 1   10   15  -22 o  163.845   1.6451  7727.64  143.521  7675.82  172.048  7846.23  260.250  162.980   1.8278  164.710   2.7358 -1.729065 3.290218 
1 1 1   10   16  -22 o  115.284   2.4994  3820.26  165.206  4069.88  252.115  3632.42  218.704  118.547   3.6823  112.020   3.3805 6.526970 4.998712 
1 1 1   10   17  -22 o  152.166   2.2033  6816.94  168.813  6943.16  196.561  6462.14  329.549  154.978   2.1960  149.354   3.8205 5.624741 4.406666 
1 1 1   10   18  -22 o  168.187   2.5038  8191.46  242.009  8186.42  326.396  8197.63  360.671  168.154   3.3609  168.221   3.7123 -0.6719971E-01 5.007674 
1 1 1   10   19  -22 o  143.810   2.8013  6074.52  219.284  6243.16  270.521  5751.39  374.459  146.855   3.1895  140.765   4.6060 6.090286 5.602520 
1 1 1   10   20  -22 o  103.453   2.5829  3114.79  151.555  3176.23  197.655  3027.13  236.092  104.732   3.2677  102.174   4.0009 2.557762 5.165725 
1 1 1   10   21  -22 o   29.090   8.9026  250.746  163.553  250.746  163.553   0.0000   0.0000   29.090   8.9026  ?   ?       ?      ? 
1 1 1   10   22  -22 o  166.055   1.5829  7976.63  151.518  8006.59  208.133  7942.84  221.005  166.395   2.1658  165.715   2.3092 0.6797791 3.165896 
1 1 1   10   23  -22 o  175.138   2.2087  8795.10  210.803  8616.98  257.188  9159.74  367.979  172.553   2.5807  177.723   3.5851 -5.169830 4.417324 
1 1 1   10   24  -22 o   64.227   3.8042  1200.74  131.907  1195.02  160.144  1212.81  232.616   64.109   4.3252   64.345   6.2595 -0.2357635 7.608428 
1 1 1   10   25  -22 o   19.634   6.4638 -215.0577  178.401 -350.7982  284.343 -126.9325  229.107   19.306   9.2033   19.962   9.0787 -0.6562672 12.92767 
1 1 1   10   26  -22 o  122.953   2.3923  4398.88  168.652  4302.44  252.679  4476.36  226.484  121.692   3.5952  124.214   3.1571 -2.521194 4.784597 
1 1 1   10   27  -22 o   26.898   7.8174 -42.6364  207.477  320.611  333.464 -272.0773  265.023   34.494   12.708   19.303   9.1082 15.19056 15.63489 
1 1 1   10   28  -22 o  123.886   3.5098  4491.92  250.806  4325.73  344.247  4679.93  366.152  121.470   4.9070  126.301   5.0196 -4.831245 7.019598 
1 1 1   10   29  -22 o   64.074   3.2439  1169.54  109.850  1121.15  130.005  1290.31  205.396   62.007   3.6302   66.140   5.3771 -4.132332 6.487765 
1 1 1   10   30  -22 o  114.695   2.0590  3809.68  135.534  3975.81  205.172  3681.05  180.533  116.865   3.0398  112.524   2.7779 4.341064 4.117939 
1 1 1   10   31  -22 o   54.094   3.3847  837.091  103.939  673.365  134.406  1080.67  163.938   47.702   4.8786   60.485   4.6929 -12.78332 6.769394 
1 1 1   10   32  -22 o   40.936   5.3188  575.771  101.756  622.380  117.126  432.312  205.485   45.872   4.4210   36.000   9.6753 9.871395 10.63753 
1 1 1   10   33  -22 o   94.926   2.8993  2670.60  158.439  2424.51  223.702  2918.30  224.434   90.426   4.2834   99.425   3.9085 -8.999214 5.798613 
1 1 1   10   34  -22 o   16.519   5.2249 -58.6030  101.865 -122.7745  131.898   36.242  160.351   13.695   6.4508   19.343   8.2211 -5.647960 10.44984 
1 1 1   10   35  -22 o   75.063   3.2628  1680.27  134.441  1730.26  229.831  1654.27  165.759   75.465   5.2732   74.661   3.8441 0.8042908 6.525644 
1 1 1   10   36  -22 o  114.260   3.3672  3877.69  203.166  3780.54  241.547  4112.62  375.629  112.850   3.7061  115.669   5.6228 -2.819077 6.734336 
1 1 1   10   37  -22 o   16.253   5.4108 -157.9804  134.767 -434.6915  242.666 -34.5745  162.055   15.290   7.5515   17.216   7.7512 -1.926311 10.82151 
1 1 1   10   38  -22 o   75.789   3.2272  1759.11  136.953  1665.43  218.582  1819.66  175.721   73.622   5.1407   77.956   3.9029 -4.333366 6.454405 
1 1 1   10   39  -22 f   64.633   4.0194  1311.86  150.005  1332.01  214.924  1292.72  209.459   65.086   5.7176   64.180   5.6509 0.9062729 8.038850 
1 1 1   10   40  -22 o   24.639   7.0529  188.365  168.981 -21.9028  280.880  307.638  211.546   21.191   9.7897   28.086   10.156 -6.895905 14.10588 
1 1 1   10    0  -23 o   69.717   4.6372  1419.98  178.128  1338.36  224.874  1557.46  291.843   67.206   5.8980   72.229   7.1573 -0.000000 0.000000 
1 1 1   10    1  -23 o   69.178   3.6191  1387.23  144.339  1275.18  200.660  1507.38  207.777   66.279   5.2421   72.078   4.9912 -5.799828 7.238210 
1 1 1   10    2  -23 o   73.694   3.7025  1494.95  144.278  1779.99  274.017  1385.62  169.708   78.237   6.0643   69.151   4.2493 9.086098 7.404908 
1 1 1   10    3  -23 o  179.858   1.4871  9361.59  146.445  9310.91  250.464  9387.91  180.517  179.463   2.4165  180.253   1.7340 -0.7894440 2.974250 
1 1 1   10    4  -23 o   21.020   6.0672  -3.1979  129.466  150.406  174.355 -191.9790  193.292   25.141   9.2000   16.899   7.9122 8.242022 12.13437 
1 1 1   10    5  -23 o   87.824   2.7919  2233.54  141.590  2182.58  198.721  2286.09  201.791   86.806   3.9638   88.842   3.9327 -2.036530 5.583721 
1 1 1   10    6  -23 f   79.324   2.9113  1839.07  130.173  1745.57  205.161  1902.07  168.415   77.591   4.5783   81.057   3.5975 -3.466438 5.822613 
1 1 1   10    7  -23 o  190.170   1.7830 10454.07  195.811 10276.57  274.650 10637.55  279.244  188.528   2.5224  191.811   2.5207 -3.282730 3.566040 
1 1 1   10    8  -23 o  125.244   2.0977  4525.53  151.349  4698.40  223.674  4379.53  205.553  127.439   3.0390  123.049   2.8924 4.390114 4.195387 
1 1 1   10    9  -23 o   69.867   3.0179  1414.43  121.669  1496.67  173.551  1334.96  170.617   71.868   4.1813   67.865   4.3530 4.003365 6.035876 
1 1 1   10   10  -23 o  225.710   1.9246 14915.15  220.785 15122.45  258.046 14348.77  426.531  228.754   1.9532  222.666   3.3167 6.087601 3.849111 
1 1 1   10   11  -23 o   36.079   6.9505  381.130  158.739  590.688  229.284  188.222  219.986   44.043   9.3053   28.114   10.327 15.92934 13.90093 
1 1 1   10   12  -23 o  220.517   2.1177 14032.36  253.682 13963.28  309.633 14173.41  442.445  219.761   2.4396  221.272   3.4622 -1.510620 4.235331 
1 1 1   10   13  -23 o   63.177   3.9629  1156.49  139.943  1174.82  229.543  1145.65  176.547   63.523   6.2567   62.831   4.8652 0.6924820 7.925708 
1 1 1   10   14  -23 o   67.536   4.5586  1309.53  171.417  1258.95  213.673  1400.87  287.129   65.804   5.6223   69.267   7.1774 -3.462738 9.117259 
1 1 1   10   15  -23 o  124.483   2.4695  4480.92  177.540  4480.92  177.540   0.0000   0.0000  124.483   2.4695  ?   ?       ?      ? 
1 1 1   10   16  -23 o   66.388   3.4589  1192.45  123.844  1054.48  147.163  1527.29  229.258   60.303   4.2254   72.473   5.4773 -12.16934 6.917713 
1 1 1   10   17  -23 o  216.936   2.1689 13616.71  246.449 13631.96  458.139 13610.50  292.352  216.917   3.6569  216.956   2.3332 -0.3855896E-01 4.337857 
1 1 1   10   18  -23 o  181.143   2.2922  9473.75  208.320  9445.94  240.785  9556.51  415.408  180.737   2.3067  181.549   3.9618 -0.8119659 4.584446 
1 1 1   10   19  -23 o  165.925   1.9537  7968.71  187.024  8006.20  258.918  7927.81  270.442  166.342   2.6951  165.508   2.8292 0.8332214 3.907452 
1 1 1   10   20  -23 o  140.367   2.1899  5676.86  163.094  5632.95  194.941  5779.30  297.742  139.545   2.4188  141.189   3.6513 -1.644745 4.379840 
1 1 1   10   21  -23 o   56.705   5.0835  946.977  150.114  951.003  177.756  936.967  280.293   57.120   5.3883   56.291   8.6217 0.8292961 10.16694 
1 1 1   10   22  -23 o  109.441   2.5560  3483.00  153.030  3448.69  261.771  3500.82  188.617  108.949   4.1602  109.933   2.9707 -0.9846039 5.112010 
1 1 1   10   23  -23 o   63.084   3.4853  1163.57  126.479  1207.41  173.452  1113.80  184.825   64.387   4.6644   61.780   5.1800 2.607231 6.970560 
1 1 1   10   24  -23 o   14.681   6.7795 -104.2566  134.478 -104.2566  134.478   0.0000   0.0000   14.681   6.7795  ?   ?       ?      ? 
1 1 1   10   25  -23 o   90.692   2.7966  2384.31  142.362  2353.69  180.618  2434.55  231.321   90.008   3.4745   91.377   4.3832 -1.369644 5.593291 
1 1 1   10   26  -23 o   98.313   2.7295  2803.15  154.983  2803.15  154.983   0.0000   0.0000   98.313   2.7295  ?   ?       ?      ? 
1 1 1   10   27  -23 o   81.122   3.7741  1878.65  150.090  1828.52  170.773  2048.83  314.631   79.204   3.7332   83.040   6.5604 -3.835838 7.548199 
1 1 1   10   28  -23 o   81.106   5.0122  1936.94  234.783   0.0000   0.0000  1936.94  234.783  ?   ?    81.106   5.0122      ?      ? 
1 1 1   10   29  -23 o   47.838   6.4174  709.531  156.638  752.060  295.773  692.954  184.659   47.660   10.972   48.017   6.6588 -0.3568192 12.83484 
1 1 1   10   30  -23 f   65.317   4.7899  1379.01  152.158  1119.99  295.561  1472.42  177.484   59.950   8.5364   70.685   4.3476 -10.73464 9.579741 
1 1 1   10   31  -23 o   12.955   4.5360 -410.9967  129.507 -263.6234  167.842 -627.8406  203.594   13.762   6.6866   12.148   6.1310 1.614770 9.071914 
1 1 1   10   32  -23 o   83.546   2.7872  2025.07  130.977  1906.41  165.282  2225.37  214.737   80.493   3.5553   86.598   4.2935 -6.105331 5.574465 
1 1 1   10   33  -23 o   48.438   6.0451  672.622  126.798  619.582  138.628  944.193  313.684   45.247   5.3049   51.628   10.864 -6.380417 12.09014 
1 1 1   10   34  -23 o   78.650   3.9200  1945.27  158.718  1754.19  292.016  2025.39  189.087   74.772   6.7621   82.528   3.9671 -7.756538 7.839926 
1 1 1   10   35  -23 o   82.475   3.9171  2058.84  163.428  2147.68  321.299  2027.83  189.817   82.481   6.7448   82.468   3.9853 0.1342010E-01 7.834239 
1 1 1   10   36  -23 o   53.331   4.7059  861.533  144.946   0.0000   0.0000  861.533  144.946  ?   ?    53.331   4.7059      ?      ? 
1 1 1   10   37  -23 o   50.500   6.9928  911.875  193.639  1000.43  306.149  852.825  249.999   51.804   10.590   49.196   9.1350 2.607422 13.98563 
1 1 1   10   38  -23 o   42.580   5.3410  562.335  123.242  788.560  218.205  456.367  149.342   48.405   7.8053   36.755   7.2927 11.65036 10.68205 
1 1 1   10   39  -23 o   20.688   6.6847   3.2605  173.523 -83.1988  304.221   44.953  211.258   20.941   9.8431   20.435   9.0472 0.5060673 13.36935 
1 1 1   10    0  -24 o   23.424   9.1992  209.324  169.852  257.726  316.778  189.793  201.223   25.442   14.279   21.406   11.602 -0.000000 0.000000 
1 1 1   10    1  -24 o   50.967   7.0181  835.700  181.786  648.202  334.061  914.580  216.677   45.904   12.336   56.030   6.6959 -10.12579 14.03620 
1 1 1   10    2  -24 f   35.027   5.8592  387.901  116.335  447.459  143.736  274.792  198.081   39.208   6.3475   30.846   9.8504 8.362583 11.71840 
1 1 1   10    3  -24 o  119.575   2.7938  4095.97  183.407  3998.32  225.339  4287.63  315.682  117.541   3.3194  121.609   4.4947 -4.068047 5.587565 
1 1 1   10    4  -24 o  138.379   1.8672  5532.99  143.159  5552.54  239.150  5522.07  178.717  138.543   2.9888  138.216   2.2388 0.3269501 3.734374 
1 1 1   10    5  -24 o  115.855   2.1106  3826.10  134.725  3700.38  165.864  4069.91  230.973  113.127   2.5386  118.583   3.3725 -5.456032 4.221199 
1 1 1   10    6  -24 o  318.244   1.7687 29286.58  324.952 29163.08  465.666 29403.80  453.672  317.584   2.5388  318.904   2.4632 -1.320068 3.537350 
1 1 1   10    7  -24 o  201.517   1.7516 11741.93  203.774 11760.49  284.315 11722.32  292.206  201.685   2.4409  201.350   2.5128 0.3347626 3.503107 
1 1 1   10    8  -24 o  159.113   1.5560  7311.36  142.848  7460.59  207.509  7176.94  196.940  160.652   2.2365  157.574   2.1640 3.078415 3.112056 
1 1 1   10    9  -24 o   70.713   3.6674  1449.05  146.484  1466.26  233.451  1437.88  188.129   71.018   5.6917   70.407   4.6265 0.6105652 7.334830 
1 1 1   10   10  -24 o  161.580   2.3125  7652.36  185.579  7367.83  371.297  7747.11  214.262  159.458   4.0317  163.703   2.2662 -4.245026 4.624992 
1 1 1   10   11  -24 o   43.699   5.9369  636.152  136.249  387.106  228.436  773.668  169.747   35.819   10.417   51.580   5.6982 -15.76044 11.87377 
1 1 1   10   12  -24 o   59.348   5.4097  886.653  156.207  1314.83  352.150  781.764  174.292   66.861   9.1195   51.836   5.8219 15.02557 10.81939 
1 1 1   10   13  -24 o   18.720   6.3531 -323.5522  161.295 -368.1523  186.491 -191.1401  321.332   13.916   6.8229   23.523   10.719 -9.607150 12.70615 
1 1 1   10   14  -24 o   22.734   6.9496 -136.9049  167.562  153.907  287.350 -286.7432  206.261   29.317   11.547   16.150   7.7367 13.16736 13.89920 
1 1 1   10   15  -24 o  154.983   2.3711  6812.07  179.430  6690.70  204.027  7226.33  376.949  152.113   2.3224  157.854   4.1347 -5.740967 4.742280 
1 1 1   10   16  -24 o  172.770   1.8563  8632.75  185.120  8709.31  266.919  8561.80  256.963  173.504   2.6637  172.037   2.5862 1.466385 3.712650 
1 1 1   10   17  -24 o  253.285   2.5528 18559.42  373.425   0.0000   0.0000 18559.42  373.425  ?   ?   253.285   2.5528      ?      ? 
1 1 1   10   18  -24 o   87.688   4.1379  2124.44  192.998  1956.79  227.853  2550.13  363.083   82.035   4.8092   93.342   6.7351 -11.30734 8.275863 
1 1 1   10   19  -24 o  188.570   1.9008 10288.18  206.916 10421.15  297.816 10164.11  287.693  189.742   2.7177  187.397   2.6582 2.344925 3.801537 
1 1 1   10   20  -24 o  117.482   2.7210  3949.64  167.766  3872.82  198.408  4142.34  314.242  115.628   2.9710  119.335   4.5594 -3.706276 5.442020 
1 1 1   10   21  -24 o  106.995   3.0640  3178.38  151.481  3082.89  168.246  3587.15  348.107  103.165   2.8238  110.824   5.4387 -7.658394 6.128040 
1 1 1   10   22  -24 o   99.602   3.7572  2890.67  204.881  2871.82  252.097  2927.32  351.622   99.314   4.3951   99.891   6.0949 -0.5768661 7.514313 
1 1 1   10   23  -24 o   46.808   5.2161  644.106  139.156  680.851  217.374  618.590  181.139   47.849   7.8660   45.768   6.8527 2.080246 10.43230 
1 1 1   10   24  -24 o  171.519   2.0220  8514.37  200.303  8514.37  200.303   0.0000   0.0000  171.519   2.0220  ?   ?       ?      ? 
1 1 1   10   25  -24 o   22.033   6.3321   56.060  121.535   15.704  150.335  132.189  206.482   18.868   7.9868   25.198   9.8282 -6.329863 12.66426 
1 1 1   10   26  -24 o   22.960   6.8019   31.387  157.567 -102.4989  238.488  135.103  209.905   20.622   9.3328   25.297   9.8976 -4.675156 13.60384 
1 1 1   10   27  -24 o   13.971   5.1479 -505.9325  125.788 -478.8794  134.823 -687.7333  349.505   9.5029   4.8180   18.440   9.0989 -8.936798 10.29574 
1 1 1   10   28  -24 o   71.093   3.3835  1522.05  125.028  1564.23  148.868  1421.07  230.333   73.155   3.5235   69.030   5.7774 4.125351 6.767088 
1 1 1   10   29  -24 o   25.859   7.1607  159.032  141.507  161.040  163.662  153.083  281.658   24.272   8.9086   27.446   11.213 -3.174259 14.32150 
1 1 1   10   30  -24 o   35.179   8.4493  405.397  169.515   0.0000   0.0000  405.397  169.515  ?   ?    35.179   8.4493      ?      ? 
1 1 1   10   31  -24 o   58.914   4.7564  1073.54  161.548  1002.66  228.201  1144.74  228.728   56.831   6.9526   60.997   6.4927 -4.166222 9.512865 
1 1 1   10   32  -24 o   60.927   5.6299  1165.32  189.887  1284.02  322.366  1102.26  234.978   62.461   8.9362   59.392   6.8503 3.069141 11.25977 
1 1 1   10   33  -24 o   24.606   6.7874  168.665  140.166  208.643  178.719  104.777  225.929   25.705   9.3283   23.506   9.8619 2.198421 13.57480 
1 1 1   10   34  -24 f   13.679   4.8113 -479.8374  146.596 -261.3983  209.488 -689.4566  205.215   15.734   7.6031   11.623   5.8982 4.111451 9.622653 
1 1 1   10   35  -24 o   71.654   4.0223  1536.22  166.459   0.0000   0.0000  1536.22  166.459  ?   ?    71.654   4.0223      ?      ? 
1 1 1   10   36  -24 o   45.660   5.6091  707.346  137.053  673.869  227.199  726.496  171.839   43.374   9.3454   47.946   6.2056 -4.572121 11.21811 
1 1 1   10   37  -24 o   60.211   4.7808  1184.35  164.815  1305.39  228.999  1054.27  237.395   63.955   6.1997   56.467   7.2793 7.488308 9.561660 
1 1 1   10   38  -24 o   21.041   6.8713 -47.8045  172.001  167.928  326.629 -130.5809  202.325   25.340   11.233   16.741   7.9173 8.598997 13.74263 
1 1 1   10    0  -25 o  189.484   2.4156 10376.02  263.789 10658.41  385.247 10126.75  361.949  191.903   3.4785  187.066   3.3526 -0.000000 0.000000 
1 1 1   10    1  -25 o   98.070   3.1376  2783.04  177.713   0.0000   0.0000  2783.04  177.713  ?   ?    98.070   3.1376      ?      ? 
1 1 1   10    2  -25 o  154.437   2.1822  6930.91  186.334  6797.20  310.908  7005.85  232.769  153.224   3.5133  155.650   2.5894 -2.425507 4.364434 
1 1 1   10    3  -25 o  145.854   2.1487  6170.36  180.464  5904.90  261.902  6410.35  249.016  142.846   3.1746  148.861   2.8964 -6.014526 4.297337 
1 1 1   10    4  -25 o   20.331   5.9094   39.615  111.632   9.9420  167.195   63.484  149.953   19.928   8.4285   20.733   8.2852 -0.8055534 11.81880 
1 1 1   10    5  -25 o  174.587   1.8405  8815.05  185.572  8699.82  262.465  8930.23  262.412  173.444   2.6202  175.729   2.5856 -2.285172 3.681079 
1 1 1   10    6  -25 o   14.157   5.0580 -726.1783  174.980 -1075.0930  328.913 -588.4504  206.649   15.404   7.7768   12.909   6.4694 2.495510 10.11592 
1 1 1   10    7  -25 o  232.473   1.7688 15631.97  237.177 15712.81  327.628 15542.95  343.793  233.113   2.4335  231.833   2.5677 1.280472 3.537610 
1 1 1   10    8  -25 o  155.702   2.0313  7018.51  182.167  7082.67  249.251  6944.95  266.902  156.477   2.7580  154.926   2.9829 1.551041 4.062573 
1 1 1   10    9  -25 o   81.984   3.0420  1916.64  138.653  2067.27  233.540  1834.64  172.307   84.389   4.7917   79.579   3.7490 4.809311 6.084048 
1 1 1   10   10  -25 o   79.493   3.4102  1855.09  148.430  1769.19  250.908  1901.33  184.098   77.989   5.5705   80.996   3.9355 -3.006821 6.820463 
1 1 1   10   11  -25 f  119.557   2.4836  4128.92  171.169  4315.39  251.594  3968.24  233.552  122.057   3.5690  117.056   3.4546 5.000938 4.967154 
1 1 1   10   12  -25 o  126.501   2.5104  4641.09  183.183  4421.89  260.786  4854.59  257.369  123.538   3.6551  129.465   3.4420 -5.927757 5.020707 
1 1 1   10   13  -25 o  121.384   2.8541  4094.01  159.385  4573.64  367.762  3983.09  176.857  125.427   5.0768  117.340   2.6097 8.087646 5.708267 
1 1 1   10   14  -25 o   74.516   3.1182  1550.82  131.084  1907.57  215.536  1341.40  165.135   81.040   4.6050   67.991   4.2054 13.04974 6.236304 
1 1 1   10   15  -25 o   51.701   4.4511  758.203  130.866  651.607  168.209  921.661  208.296   47.243   6.1649   56.160   6.4220 -8.917122 8.902165 
1 1 1   10   16  -25 o   87.353   2.9376  2196.25  144.942  2304.31  232.901  2127.95  185.170   89.048   4.5286   85.658   3.7430 3.390144 5.875196 
1 1 1   10   17  -25 o  139.057   2.5766  5608.72  205.644  5610.81  275.928  5606.11  308.427  139.120   3.4342  138.994   3.8421 0.1262360 5.153179 
1 1 1   10   18  -25 o  150.746   2.4535  6582.20  210.214  6544.85  273.631  6635.99  328.376  150.281   3.1527  151.211   3.7601 -0.9298859 4.906917 
1 1 1   10   19  -25 o  173.499   2.3494  8671.21  226.546  8518.34  282.935  8944.30  378.165  171.479   2.8569  175.519   3.7305 -4.039536 4.698790 
1 1 1   10   20  -25 o  151.126   2.8875  6618.79  252.023  6618.79  252.023   0.0000   0.0000  151.126   2.8875  ?   ?       ?      ? 
1 1 1   10   21  -25 o  151.990   1.8706  6692.00  153.432  6690.03  186.341  6696.14  270.377  152.045   2.1220  151.934   3.0813 0.1105194 3.741281 
1 1 1   10   22  -25 o   58.892   3.5455  1004.96  118.185  966.668  151.431  1064.62  189.030   57.539   4.5569   60.244   5.4329 -2.705532 7.090953 
1 1 1   10   23  -25 o  157.656   2.6747  7304.72  223.349  7074.13  403.468  7406.60  268.190  155.568   4.4906  159.743   2.9069 -4.174988 5.349352 
1 1 1   10   24  -25 o  ?   ?  -795.9045  141.348 -786.9489  196.469 -805.5133  203.509  ?   ?   ?   ?       ?      ? 
1 1 1   10   25  -25 o   58.830   5.0770  1042.36  162.173  1047.01  198.755  1033.10  280.515   59.430   5.7906   58.230   8.3410 1.199837 10.15402 
1 1 1   10   26  -25 o   33.044   7.2921  329.309  170.843  540.228  238.611  107.450  244.721   40.617   10.189   25.470   10.435 15.14694 14.58417 
1 1 1   10   27  -25 o   96.062   2.9771  2749.50  154.719  2612.10  267.106  2818.89  189.803   93.905   4.9250   98.218   3.3460 -4.313194 5.954123 
1 1 1   10   28  -25 o   33.408   7.2719  304.546  131.812  244.413  148.001  535.171  289.844   27.664   8.4692   39.151   11.824 -11.48727 14.54389 
1 1 1   10   29  -25 o   29.262   7.0939  276.391  144.066  279.354  192.941  272.657  216.583   29.283   9.7479   29.242   10.309 0.4140472E-01 14.18789 
1 1 1   10   30  -25 o   24.747   6.7664  169.149  139.523  245.740  152.586 -221.5731  344.636   27.380   8.6351   22.114   10.420 5.266027 13.53279 
1 1 1   10   31  -25 o   38.609   7.1262  546.425  148.037  575.317  166.123  434.991  326.250   42.927   6.7006   34.290   12.579 8.637421 14.25247 
1 1 1   10   32  -25 o   19.838   6.2856 -36.7933  151.374   45.510  210.319 -125.2510  218.041   21.434   9.2667   18.241   8.4949 3.193222 12.57125 
1 1 1   10   33  -25 o   28.422   7.7585  267.193  174.474  210.965  325.978  289.767  206.550   28.002   11.802   28.842   10.074 -0.8395329 15.51708 
1 1 1   10   34  -25 o   35.834   7.3169  505.035  167.385  335.810  279.911  599.235  208.839   30.304   11.541   41.364   8.9978 -11.06075 14.63377 
1 1 1   10   35  -25 o   34.455   6.4303  430.049  127.124  413.986  213.184  438.912  158.360   33.106   10.169   35.803   7.8727 -2.697750 12.86065 
1 1 1   10   36  -25 o   48.940   5.1742  851.115  128.937  1000.95  163.939  608.127  208.773   56.940   4.9852   40.941   9.0684 15.99896 10.34836 
1 1 1   10   37  -25 o   18.485   5.9651 -37.9168  143.279 -116.9626  202.764   40.916  202.490   16.954   7.9898   20.015   8.8597 -3.061403 11.93027 
1 1 1   10    0  -26 o   21.571   9.4413  102.655  233.095  119.854  335.470   86.600  324.115   22.088   13.577   21.055   13.123 -0.000000 0.000000 
1 1 1   10    1  -26 o   99.956   2.3523  2891.93  135.607  2880.87  186.750  2904.26  197.233   99.760   3.2413  100.152   3.4099 -0.3913574 4.704579 
1 1 1   10    2  -26 o   95.242   2.7971  2624.72  146.339  2615.29  180.776  2642.65  249.253   95.047   3.2932   95.437   4.5221 -0.3898849 5.594149 
1 1 1   10    3  -26 o   63.366   3.4159  1227.47  117.078  961.812  190.432  1388.91  148.448   57.492   5.7352   69.241   3.7122 -11.74870 6.831716 
1 1 1   10    4  -26 o   59.078   6.4677  1126.55  166.135  913.201  363.165  1183.01  186.830   54.343   11.901   63.813   5.0694 -9.469879 12.93547 
1 1 1   10    5  -26 o   54.250   5.2933  858.400  165.069  748.491  226.978  981.788  240.493   50.548   7.7749   57.952   7.1853 -7.404308 10.58670 
1 1 1   10    6  -26 o  125.367   2.3630  4536.20  170.313  4405.41  228.788  4698.76  255.067  123.359   3.2113  127.374   3.4673 -4.014565 4.725899 
1 1 1   10    7  -26 o   40.539   5.9647  484.090  139.165  277.372  186.698  742.564  208.765   30.689   9.5316   50.389   7.1735 -19.70025 11.92945 
1 1 1   10    8  -26 o  137.410   2.8180  5367.83  211.628  5157.74  257.905  5800.86  370.268  133.455   3.3461  141.364   4.5352 -7.908386 5.635963 
1 1 1   10    9  -26 o  185.415   1.6816  9904.55  177.989 10184.41  275.088  9703.02  233.438  187.640   2.5384  183.189   2.2064 4.450699 3.363293 
1 1 1   10   10  -26 o  103.843   3.4719  3092.72  201.401  2977.53  252.286  3295.12  334.412  101.289   4.3127  106.397   5.4421 -5.107529 6.943760 
1 1 1   10   11  -26 o  146.132   2.1072  6176.31  177.651  6066.75  244.790  6298.23  258.220  144.770   2.9277  147.493   3.0313 -2.723312 4.214315 
1 1 1   10   12  -26 o   23.573   7.1523   23.629  158.362 -139.2750  329.117   72.709  180.650   24.619   11.069   22.526   9.0611 2.093035 14.30461 
1 1 1   10   13  -26 o  110.316   3.3356  3480.54  201.897  3722.02  349.514  3359.62  247.336  113.032   5.3540  107.600   3.9801 5.432838 6.671297 
1 1 1   10   14  -26 o  115.874   2.1510  3888.78  141.889  3887.75  185.634  3890.23  220.049  115.885   2.7736  115.863   3.2884 0.2174377E-01 4.301940 
1 1 1   10   15  -26 o   90.603   2.6419  2352.00  135.245  2522.94  218.078  2245.17  172.403   93.206   4.0512   88.000   3.3922 5.206001 5.283855 
1 1 1   10   16  -26 o   59.074   3.8338  1017.01  130.598  989.029  178.842  1048.98  191.160   58.217   5.3190   59.931   5.5228 -1.714050 7.667679 
1 1 1   10   17  -26 o   19.067   6.4862 -378.7592  196.296 -369.6460  332.097 -383.6529  243.359   21.287   10.090   16.847   8.1535 4.440765 12.97238 
1 1 1   10   18  -26 o  113.760   3.0525  3850.68  178.766  3957.90  211.378  3581.38  334.996  116.821   3.1330  110.699   5.2398 6.121948 6.104962 
1 1 1   10   19  -26 o  142.593   1.9306  5879.20  157.047  5807.64  205.991  5978.52  242.691  141.598   2.5189  143.589   2.9265 -1.991165 3.861226 
1 1 1   10   20  -26 o   77.321   3.2667  1735.05  143.154  1689.69  184.350  1803.94  227.200   76.134   4.1926   78.508   5.0108 -2.374329 6.533444 
1 1 1   10   21  -26 o   79.134   3.2825  1822.97  149.535  1940.28  222.697  1726.64  201.793   81.421   4.7358   76.848   4.5466 4.572990 6.565049 
1 1 1   10   22  -26 o  111.024   2.5579  3598.20  163.683  3416.50  234.780  3770.04  228.321  108.253   3.7552  113.794   3.4741 -5.541054 5.115756 
1 1 1   10   23  -26 o   60.614   4.4791  1095.00  156.528  1068.32  226.337  1119.45  216.705   59.843   6.5487   61.385   6.1125 -1.541866 8.958186 
1 1 1   10   24  -26 o   57.441   3.6299  978.547  108.461  983.578  128.423  966.031  202.555   57.987   3.8347   56.895   6.1643 1.092682 7.259707 
1 1 1   10   25  -26 f   27.580   6.4406  233.229  119.057  230.727  163.769  236.033  173.387   27.395   8.9742   27.765   9.2406 -0.3700123 12.88119 
1 1 1   10   26  -26 f   31.172   6.7070  317.712  129.723  332.605  162.900  291.898  214.467   32.006   8.6200   30.338   10.278 1.667927 13.41404 
1 1 1   10   27  -26 o   13.462   4.7305 -463.4246  143.401 -373.9102  195.687 -567.2488  210.748   13.973   6.8783   12.950   6.4961 1.023160 9.461001 
1 1 1   10   28  -26 o   44.913   7.2384  629.186  187.761  629.186  187.761   0.0000   0.0000   44.913   7.2384  ?   ?       ?      ? 
1 1 1   10   29  -26 o   26.266   6.7940  218.485  137.364  282.406  156.330   1.9452  287.732   29.050   8.6632   23.482   10.468 5.568119 13.58808 
1 1 1   10   30  -26 o   42.538   4.7045  573.019  112.289  639.104  158.947  507.178  158.654   45.509   6.0474   39.568   7.2082 5.941261 9.409017 
1 1 1   10   31  -26 o   17.748   5.7168 -88.4292  129.692   28.595  197.273 -177.5087  172.115   20.467   8.9115   15.029   7.1633 5.438013 11.43362 
1 1 1   10   32  -26 o   21.723   6.4908   86.516  135.204  140.707  154.104 -94.6531  281.768   22.345   8.5503   21.100   9.7679 1.245430 12.98152 
1 1 1   10   33  -26 o   59.326   4.8725  1140.79  145.591  1158.48  170.643  1093.45  279.121   61.711   4.7878   56.940   8.4877 4.771294 9.744963 
1 1 1   10   34  -26 o   47.530   8.4517  915.075  231.651  946.561  334.367  886.014  321.235   48.249   12.038   46.811   11.866 1.437912 16.90339 
1 1 1   10   35  -26 o   16.946   5.9465 -303.1835  148.611 -98.3082  332.438 -354.3513  166.136   21.763   10.248   12.128   6.0344 9.635228 11.89297 
1 1 1   10    0  -27 o   67.829   6.8214  1432.57  247.339  1573.59  341.896  1277.73  358.256   72.027   8.5344   63.631   10.644 -0.000000 0.000000 
1 1 1   10    1  -27 o   75.640   3.4818  1686.30  144.957  1744.99  181.357  1582.48  241.218   77.567   4.0483   73.713   5.6660 3.853333 6.963658 
1 1 1   10    2  -27 o   60.600   3.7519  1061.18  130.787  942.880  177.462  1201.82  193.498   56.920   5.3983   64.279   5.2122 -7.359173 7.503876 
1 1 1   10    3  -27 o  107.161   3.5490  3364.65  199.529  3402.02  237.734  3275.59  366.998  108.330   3.7998  105.992   5.9952 2.337730 7.097953 
1 1 1   10    4  -27 o   48.276   6.0912  705.781  154.551  718.917  188.385  678.739  270.290   49.604   6.5758   46.949   10.255 2.655106 12.18248 
1 1 1   10    5  -27 o   76.524   4.1208  1767.22  167.630  1876.08  204.643  1545.21  292.244   80.386   4.4079   72.663   6.9638 7.722878 8.241615 
1 1 1   10    6  -27 o   70.809   3.9246  1474.05  154.718  1407.58  252.052  1514.23  195.985   69.429   6.2858   72.188   4.7008 -2.758385 7.849159 
1 1 1   10    7  -27 o   48.779   4.2239  679.948  117.693  567.765  154.864  833.328  181.079   44.105   6.0796   53.453   5.8656 -9.347912 8.447888 
1 1 1   10    8  -27 o  104.336   2.3217  3162.64  138.946  3071.81  207.380  3236.63  187.169  102.951   3.4878  105.721   3.0654 -2.769478 4.643428 
1 1 1   10    9  -27 o   49.595   5.2649  722.755  150.726  710.089  215.358  734.917  211.026   49.153   7.5863   50.037   7.3023 -0.8840561 10.52975 
1 1 1   10   10  -27 o   74.108   4.8182  1647.04  188.336  1706.98  226.953  1514.46  337.524   76.560   5.1327   71.656   8.1558 4.904190 9.636477 
1 1 1   10   11  -27 o   99.033   2.2655  2833.40  127.182  2886.08  200.883  2798.16  164.304   99.768   3.4863   98.299   2.8941 1.469170 4.531047 
1 1 1   10   12  -27 o  137.956   2.9033  5620.97  216.165  5800.64  264.873  5262.65  374.055  141.467   3.2419  134.446   4.8173 7.020538 5.806556 
1 1 1   10   13  -27 o  202.916   2.1430 11899.68  237.137 12026.84  410.415 11835.94  290.544  203.614   3.4900  202.218   2.4878 1.396133 4.285934 
1 1 1   10   14  -27 o   83.867   3.1165  2028.15  142.292  1991.63  173.551  2103.04  248.530   82.830   3.6279   84.904   5.0683 -2.074120 6.232941 
1 1 1   10   15  -27 o   95.479   2.8776  2657.33  158.033  2575.50  232.135  2728.01  215.747   94.071   4.2727   96.886   3.8556 -2.815071 5.755146 
1 1 1   10   16  -27 o   28.650   8.1413  144.258  191.997  130.074  356.681  150.044  227.819   30.557   12.567   26.743   10.353 3.814035 16.28253 
1 1 1   10   17  -27 o  130.717   2.4020  4959.09  181.003  4898.62  247.859  5028.18  264.948  129.884   3.3042  131.549   3.4873 -1.665085 4.804034 
1 1 1   10   18  -27 o  159.272   2.1225  7361.73  195.202  7329.74  273.215  7395.09  278.991  158.925   2.9767  159.618   3.0264 -0.6936188 4.244919 
1 1 1   10   19  -27 o  115.016   2.9782  3776.55  175.100  3681.55  203.462  4047.81  343.817  112.570   3.1295  117.463   5.0681 -4.892792 5.956432 
1 1 1   10   20  -27 o   24.230   7.0005   87.403  154.252   68.495  237.012  101.297  203.169   24.444   10.166   24.016   9.6272 0.4285946 14.00093 
1 1 1   10   21  -27 o   83.485   3.1198  2027.86  137.337  2080.50  253.498  2006.00  163.394   83.996   5.2255   82.974   3.4097 1.022392 6.239548 
1 1 1   10   22  -27 o  119.354   3.0285  4201.81  200.613  4262.86  252.260  4096.78  330.901  120.810   3.6154  117.897   4.8597 2.913216 6.057075 
1 1 1   10   23  -27 o   90.107   3.7150  2450.07  184.085  2557.40  231.013  2263.36  304.692   93.258   4.2891   86.956   6.0670 6.302505 7.430016 
1 1 1   10   24  -27 o   21.430   6.8984 -46.2670  159.201 -10.6969  178.351 -185.7272  353.150   19.299   8.4361   23.561   10.917 -4.262365 13.79684 
1 1 1   10   25  -27 o   85.791   3.2456  2143.26  138.035  2105.38  158.271  2263.65  282.130   84.813   3.2311   86.769   5.6299 -1.956001 6.491231 
1 1 1   10   26  -27 o   43.368   7.3019  674.995  158.578  706.148  177.963  554.909  349.401   48.018   6.4171   38.717   13.118 9.301037 14.60372 
1 1 1   10   27  -27 o   48.516   4.8326  710.891  133.440  890.846  209.625  588.291  173.024   53.559   6.7768   43.472   6.8915 10.08720 9.665252 
1 1 1   10   28  -27 o   47.520   6.2091  732.749  143.293  714.398  164.875  789.403  289.695   48.236   5.9183   46.804   10.917 1.431961 12.41819 
1 1 1   10   29  -27 o   57.297   6.4536  1182.98  147.232  1227.42  162.278  976.171  350.112   64.003   4.3901   50.592   12.138 13.41031 12.90725 
1 1 1   10   30  -27 o   36.093   7.9348  504.899  178.305  534.830  206.871  418.412  351.651   39.039   9.3066   33.146   12.854 5.893452 15.86963 
1 1 1   10   31  -27 o   27.352   7.2884  247.408  159.153  182.920  229.991  306.665  220.464   25.392   10.220   29.313   10.394 -3.921646 14.57688 
1 1 1   10   32  -27 o   34.460   6.5352  453.099  136.001  316.136  229.871  526.860  168.693   29.357   10.591   39.562   7.6597 -10.20506 13.07044 
1 1 1   10   33  -27 o   39.291   7.2123  585.672  160.601  594.141  272.804  581.181  198.678   38.145   11.460   40.437   8.7604 -2.291859 14.42468 
1 1 1   10   34  -27 o   41.345   6.5648  685.575  140.010  741.882  161.207  512.706  282.463   48.361   5.7717   34.329   11.793 14.03210 13.12953 
1 1 1   10    0  -28 o   15.565   9.8423   30.391  189.552   30.391  189.552   0.0000   0.0000   15.565   9.8423   15.565   9.8423 -0.000000 0.000000 
1 1 1   10    1  -28 o   70.223   3.4928  1404.78  132.254  1519.37  237.617  1353.35  159.191   72.164   5.7013   68.282   4.0367 3.882133 6.985656 
1 1 1   10    2  -28 o  118.168   2.5947  4051.33  177.002  3934.13  251.200  4166.90  249.445  116.461   3.7347  119.875   3.6030 -3.414215 5.189354 
1 1 1   10    3  -28 o   82.402   4.3239  2025.13  197.278  2144.68  250.517  1829.96  320.083   85.826   5.0540   78.979   7.0172 6.846367 8.647772 
1 1 1   10    4  -28 o   97.287   3.5267  2805.71  157.434  2672.07  350.163  2839.57  176.252   95.565   6.3444   99.009   3.0823 -3.443985 7.053471 
1 1 1   10    5  -28 o  128.348   2.3061  4765.45  170.946  4765.45  170.946   0.0000   0.0000  128.348   2.3061  ?   ?       ?      ? 
1 1 1   10    6  -28 o  143.806   2.7666  6023.52  227.872  6174.77  305.519  5833.90  342.092  145.900   3.6257  141.712   4.1798 4.188736 5.533208 
1 1 1   10    7  -28 o  121.924   2.3236  4386.89  154.860  4059.39  260.503  4565.87  192.583  118.261   3.8140  125.587   2.6551 -7.325989 4.647224 
1 1 1   10    8  -28 f   56.002   5.0956  945.802  160.483  1117.17  218.770  746.136  236.140   61.776   6.1317   50.228   8.1403 11.54893 10.19129 
1 1 1   10    9  -28 o   97.973   2.5680  2774.41  141.241  2833.72  229.459  2738.22  179.216   98.758   4.0230   97.189   3.1928 1.568520 5.136000 
1 1 1   10   10  -28 o   95.834   3.8501  2778.57  199.180  2987.27  247.426  2394.32  335.735  101.350   4.2270   90.317   6.4364 11.03285 7.700292 
1 1 1   10   11  -28 o   43.606   7.1704  619.925  160.556  662.510  184.160  485.004  327.794   47.452   6.7197   39.760   12.669 7.692150 14.34070 
1 1 1   10   12  -28 o   20.053   6.2358 -28.6404  134.673 -308.0728  280.411   55.138  153.540   19.644   9.2995   20.461   8.3102 -0.8169384 12.47161 
1 1 1   10   13  -28 o  127.896   2.5002  4752.69  184.460  4725.70  267.002  4777.34  255.134  127.529   3.6251  128.262   3.4442 -0.7334290 5.000366 
1 1 1   10   14  -28 f   95.690   3.0369  2667.25  167.253  2977.32  240.609  2377.34  232.656  101.103   4.1206   90.277   4.4622 10.82632 6.073797 
1 1 1   10   15  -28 o   73.405   3.4187  1557.78  138.447  1637.80  235.863  1515.71  171.007   74.696   5.4673   72.114   4.1059 2.582413 6.837406 
1 1 1   10   16  -28 o   97.531   2.6354  2719.42  144.901  2552.43  183.449  2996.42  236.273   93.692   3.3902  101.370   4.0357 -7.677330 5.270730 
1 1 1   10   17  -28 o  110.177   3.1808  3474.41  172.821  3404.58  197.401  3703.59  357.627  108.226   3.1581  112.128   5.5224 -3.902138 6.361691 
1 1 1   10   18  -28 o  133.661   2.6264  5219.73  194.340  5242.94  242.850  5178.40  324.077  134.267   3.1317  133.056   4.2172 1.211075 5.252882 
1 1 1   10   19  -28 o   41.580   6.0614  537.755  136.796  537.449  169.130  538.334  232.627   42.334   6.9174   40.826   9.9554 1.507954 12.12275 
1 1 1   10   20  -28 f   22.949   7.1826 -33.5783  185.183 -23.4240  239.503 -48.6729  292.011   22.106   9.7167   23.793   10.580 -1.686497 14.36510 
1 1 1   10   21  -28 o   80.904   3.0783  1931.73  141.070  1955.40  183.225  1897.28  221.068   81.669   3.8846   80.140   4.7763 1.529930 6.156551 
1 1 1   10   22  -28 o   30.599   7.0397  294.028  143.390  233.348  193.938  367.197  212.964   27.829   9.7596   33.369   10.148 -5.540333 14.07933 
1 1 1   10   23  -28 o   58.173   4.0217  1035.28  132.467  1204.05  182.179  845.955  192.957   63.570   4.9621   52.777   6.3304 10.79286 8.043367 
1 1 1   10   24  -28 o   89.936   2.8226  2417.38  144.726  2647.26  196.373  2144.07  214.123   94.868   3.5841   85.005   4.3615 9.863319 5.645192 
1 1 1   10   25  -28 o   46.644   5.6510  712.584  143.725  762.109  186.482  640.124  225.565   49.713   6.4950   43.574   9.2493 6.139717 11.30193 
1 1 1   10   26  -28 o   82.700   3.5775  2081.27  169.211  2322.49  234.506  1819.26  244.402   88.044   4.6118   77.356   5.4705 10.68757 7.155044 
1 1 1   10   27  -28 f   79.469   4.1610  1988.45  131.290  2008.64  142.173  1871.50  342.161   82.705   2.9764   76.232   7.7716 6.473633 8.322052 
1 1 1   10   28  -28 o   17.850   6.0009 -141.0247  136.295 -149.8976  154.712 -110.2715  288.030   14.496   6.8752   21.205   9.8375 -6.709340 12.00187 
1 1 1   10   29  -28 o   80.041   4.4508  1918.26  185.354  1804.90  216.860  2225.58  357.075   77.114   4.8692   82.968   7.4518 -5.854225 8.901608 
1 1 1   10   30  -28 o   29.385   7.5663  266.605  157.089  176.075  188.118  475.159  285.526   24.253   9.4028   34.517   11.857 -10.26389 15.13256 
1 1 1   10   31  -28 o   52.738   3.3110  825.904   97.354  768.515  121.037  931.068  163.846   50.506   4.1495   54.971   5.1608 -4.464886 6.622099 
1 1 1   10   32  -28 f   34.793   6.6601  449.157  134.968  442.153  172.119  460.339  217.492   35.147   8.5590   34.439   10.207 0.7076187 13.32027 
1 1 1   10   33  -28 o   65.125   3.8371  1292.39  136.635  1203.33  166.118  1478.66  240.244   62.538   4.5993   67.712   6.1433 -5.174202 7.674196 
1 1 1   10    0  -29 o   18.931   11.154  123.891  207.898  123.891  207.898   0.0000   0.0000   18.931   11.154   18.931   11.154 -0.000000 0.000000 
1 1 1   10    1  -29 f   46.570   5.4015  648.324  142.151  604.764  197.468  695.178  204.797   44.585   7.9608   48.556   7.3029 -3.971592 10.80309 
1 1 1   10    2  -29 o   65.313   3.7383  1201.64  127.490  1349.06  244.395  1146.52  149.434   67.827   6.2389   62.799   4.1201 5.027939 7.476553 
1 1 1   10    3  -29 o  107.693   3.5385  3452.40  196.298  3542.52  232.114  3226.08  367.829  110.465   3.6382  104.921   6.0702 5.544266 7.076988 
1 1 1   10    4  -29 o   59.996   4.8780  1058.98  168.851  994.131  235.703  1127.34  242.004   58.089   7.0256   61.903   6.7690 -3.813515 9.755982 
1 1 1   10    5  -29 o   28.630   7.2940  210.457  154.125  250.465  227.377  176.450  209.633   30.195   10.569   27.065   10.055 3.130041 14.58802 
1 1 1   10    6  -29 o   28.653   7.8036  150.477  154.668  116.191  174.152  278.502  336.523   23.602   9.0756   33.703   12.697 -10.10049 15.60711 
1 1 1   10    7  -29 o   66.865   3.6223  1357.62  128.925  1165.16  222.841  1454.45  158.066   62.997   6.1248   70.734   3.8692 -7.737370 7.244607 
1 1 1   10    8  -29 o  116.804   2.3537  3860.75  150.598  3662.29  183.533  4269.78  263.481  112.408   2.8270  121.201   3.7641 -8.792801 4.707499 
1 1 1   10    9  -29 o   89.113   3.7475  2179.75  163.784  2605.35  350.550  2060.90  185.246   94.041   6.4543   84.184   3.8101 9.857178 7.494951 
1 1 1   10   10  -29 o   45.261   5.0329  604.976  131.327  639.130  192.890  575.465  179.301   46.436   7.1924   44.086   7.0420 2.349957 10.06578 
1 1 1   10   11  -29 o   30.754   7.9294  238.995  175.261  307.925  301.193  203.707  215.503   33.475   12.116   28.033   10.233 5.441515 15.85878 
1 1 1   10   12  -29 o   35.814   6.2886  392.953  132.325  544.813  196.626  267.240  178.900   41.913   8.4153   29.715   9.3471 12.19724 12.57718 
1 1 1   10   13  -29 o   76.160   4.2225  1686.42  181.912  1835.64  292.905  1592.71  232.102   78.727   6.4419   73.592   5.4609 5.135139 8.445089 
1 1 1   10   14  -29 o  102.250   2.8895  3066.06  167.896  2973.99  259.667  3132.22  220.093  100.818   4.4596  103.682   3.6755 -2.864594 5.779026 
1 1 1   10   15  -29 o   89.073   3.9724  2254.43  163.170  2197.48  181.448  2495.17  373.050   86.825   3.6185   91.322   7.0730 -4.497192 7.944879 
1 1 1   10   16  -29 o   87.925   3.7485  2257.75  184.124  2189.34  231.126  2376.56  304.612   86.346   4.6347   89.505   5.8927 -3.158859 7.496991 
1 1 1   10   17  -29 o  114.558   3.1150  3789.68  169.322  3966.30  368.026  3742.25  190.705  115.692   5.5079  113.424   2.9112 2.267715 6.229961 
1 1 1   10   18  -29 o   49.090   6.2054  719.817  163.002  644.908  197.600  879.347  288.364   46.062   7.4277   52.119   9.9428 -6.056141 12.41087 
1 1 1   10   19  -29 o   55.563   5.9722  916.332  179.452  1084.94  324.957  842.354  215.251   58.496   9.6187   52.630   7.0815 5.866024 11.94434 
1 1 1   10   20  -29 o  118.578   2.9311  4234.03  172.929  4329.65  200.623  3957.65  341.094  121.863   2.8505  115.294   5.1225 6.569275 5.862210 
1 1 1   10   21  -29 o   52.293   5.0194  838.726  150.767  874.892  227.036  810.197  201.647   53.158   7.3950   51.428   6.7890 1.730492 10.03878 
1 1 1   10   22  -29 o   50.603   5.1597  801.288  145.914  777.073  235.111  816.458  186.088   49.481   8.2271   51.724   6.2293 -2.242989 10.31942 
1 1 1   10   23  -29 o   35.730   7.6105  457.338  163.232  397.970  313.925  479.337  191.098   33.701   12.343   37.760   8.9070 -4.058876 15.22110 
1 1 1   10   24  -29 f   41.859   6.8997  545.180  144.258  483.100  164.505  751.831  300.138   38.441   7.6783   45.276   11.466 -6.834702 13.79948 
1 1 1   10   25  -29 o   84.370   3.7408  2123.37  170.983  2047.64  207.161  2285.22  302.839   82.751   4.3346   85.989   6.0979 -3.237915 7.481531 
1 1 1   10   26  -29 o   32.998   6.6893  383.842  133.510  381.953  202.763  385.287  177.392   32.708   9.8918   33.288   9.0079 -0.5801926 13.37867 
1 1 1   10   27  -29 o   21.227   6.3232   56.374  131.721 -11.3445  171.032  155.096  206.506   18.269   8.1119   24.184   9.7020 -5.914831 12.64643 
1 1 1   10   28  -29 o   51.445   5.9105  924.231  131.587  950.902  147.750  821.946  289.344   56.082   4.5617   46.808   10.905 9.273258 11.82105 
1 1 1   10   29  -29 o   45.632   5.0892  657.145  118.075  622.458  139.155  746.327  223.131   44.881   5.3685   46.383   8.6475 -1.502388 10.17843 
1 1 1   10   30  -29 o   53.110   6.2882  850.790  134.495  790.453  145.084  1219.48  358.640   50.692   4.9555   55.528   11.559 -4.835442 12.57646 
1 1 1   10   31  -29 o   16.492   5.4960 -128.3736  133.789 -175.4908  177.108 -65.7517  204.180   14.945   7.1620   18.040   8.3385 -3.094584 10.99204 
1 1 1   10    0  -30 o   32.434   11.101  465.497  240.927  531.833  367.951  415.711  318.763   34.436   16.307   30.431   15.066 -0.000000 0.000000 
1 1 1   10    1  -30 o   92.790   2.7765  2513.45  146.653  2460.27  226.138  2552.05  192.660   91.876   4.2617   93.705   3.5599 -1.828857 5.552986 
1 1 1   10    2  -30 o   83.185   3.7386  2024.22  178.690  1999.13  240.165  2055.33  267.443   82.665   5.0304   83.705   5.5321 -1.040634 7.477264 
1 1 1   10    3  -30 o   91.069   2.8339  2374.70  145.969  2609.73  235.602  2228.29  185.959   94.605   4.3120   87.533   3.6784 7.071716 5.667790 
1 1 1   10    4  -30 o  104.872   3.4031  3195.53  195.040  3154.78  239.168  3276.44  336.993  104.083   3.9787  105.662   5.5223 -1.578766 6.806265 
1 1 1   10    5  -30 o  126.674   2.2362  4682.84  160.954  4800.03  211.094  4520.09  248.764  128.643   2.8412  124.705   3.4540 3.938538 4.472405 
1 1 1   10    6  -30 o  104.144   2.1280  3148.02  127.996  3152.40  180.948  3143.63  181.080  104.217   3.0063  104.071   3.0127 0.1461182 4.256068 
1 1 1   10    7  -30 f  125.746   2.9132  4613.56  205.244  4602.17  333.089  4620.53  260.594  125.469   4.5966  126.022   3.5804 -0.5527344 5.826494 
1 1 1   10    8  -30 o  161.721   2.5926  7615.13  225.824  7611.85  399.053  7616.68  273.901  161.457   4.2794  161.985   2.9278 -0.5273743 5.185114 
1 1 1   10    9  -30 o   23.816   6.1719   72.421  116.546  290.109  197.812 -43.3226  144.239   30.856   9.8426   16.776   7.4492 14.07971 12.34373 
1 1 1   10   10  -30 o   19.240   6.0761 -75.9546  129.646   15.621  225.927 -120.9142  158.304   22.648   9.6952   15.832   7.3265 6.815660 12.15216 
1 1 1   10   11  -30 o   60.665   4.9088  1104.23  141.287  1108.38  159.947  1089.49  301.415   61.510   4.5024   59.820   8.7243 1.690281 9.817619 
1 1 1   10   12  -30 o   61.075   4.8087  1117.56  169.080  1209.60  238.164  1024.04  240.079   63.713   6.4723   58.436   7.1136 5.277821 9.617400 
1 1 1   10   13  -30 o   13.761   6.9716 -989.5751  185.306 -1023.5570  247.917 -946.5566  278.942  ?   ?    13.761   6.9716      ?      ? 
1 1 1   10   14  -30 o  105.425   2.4549  3248.55  148.388  3200.76  222.760  3286.67  198.957  104.656   3.6854  106.193   3.2440 -1.536858 4.909759 
1 1 1   10   15  -30 o   91.535   3.3630  2446.56  167.285  2397.90  203.725  2547.27  293.103   90.470   3.8990   92.600   5.4805 -2.130257 6.725935 
1 1 1   10   16  -30 o   55.739   3.6322  904.639  115.777  1056.18  179.564  796.813  151.465   59.637   5.2134   51.841   5.0589 7.795849 7.264374 
1 1 1   10   17  -30 o   43.802   6.6636  628.082  162.999  633.876  242.349  623.296  220.261   43.779   9.8261   43.825   9.0034 -0.4556656E-01 13.32717 
1 1 1   10   18  -30 o   52.580   7.6562  934.474  223.288  902.554  356.654  955.051  286.351   50.418   12.347   54.743   9.0570 -4.325253 15.31250 
1 1 1   10   19  -30 o   17.296   5.5427 -65.2905  117.431 -77.2346  153.037 -48.1874  183.129   16.129   7.3680   18.464   8.2823 -2.334690 11.08535 
1 1 1   10   20  -30 o   63.604   4.1470  1228.71  152.192  1158.91  213.122  1301.35  217.407   61.698   5.9809   65.510   5.7462 -3.811584 8.293998 
1 1 1   10   21  -30 o   79.295   4.0585  1865.02  185.862  1865.02  185.862   0.0000   0.0000   79.295   4.0585  ?   ?       ?      ? 
1 1 1   10   22  -30 o   34.327   6.5651  407.769  138.060  280.764  196.114  532.552  194.390   28.897   9.8279   39.756   8.7071 -10.85884 13.13020 
1 1 1   10   23  -30 o   54.329   6.2495  1011.95  164.282  1046.68  192.767  919.802  314.013   58.421   5.7132   50.237   11.117 8.183208 12.49908 
1 1 1   10   24  -30 o   46.967   6.5002  691.082  176.321  691.082  176.321   0.0000   0.0000   46.967   6.5002  ?   ?       ?      ? 
1 1 1   10   25  -30 o   76.327   2.9150  1756.55  127.218  1879.90  172.558  1609.66  188.297   79.510   3.7578   73.144   4.4574 6.365471 5.829997 
1 1 1   10   26  -30 o   70.840   2.9491  1532.34  115.142  1405.61  188.986  1607.15  145.204   68.031   4.8099   73.649   3.4137 -5.618294 5.898216 
1 1 1   10   27  -30 o   28.145   6.8559  279.527  132.659  290.332  215.815  272.965  168.184   28.462   10.263   27.827   9.0933 0.6348610 13.71178 
1 1 1   10   28  -30 o   41.433   5.8386  608.802  132.328  510.047  211.820  672.013  169.466   36.995   9.7691   45.870   6.3970 -8.874157 11.67717 
1 1 1   10   29  -30 o   43.709   6.6382  681.514  143.848  665.232  164.943  733.237  293.983   45.523   6.2736   41.895   11.701 3.627773 13.27636 
1 1 1   10   30  -30 o   26.822   7.3295  236.197  140.173  192.249  159.148  388.239  296.013   23.644   8.7659   30.000   11.749 -6.355982 14.65900 
1 1 1   10    0  -31 o   46.708   8.9368  767.550  191.474  801.853  361.129  754.136  225.831   45.153   15.426   48.263   9.0271 -0.000000 0.000000 
1 1 1   10    1  -31 o   33.280   6.4765  367.424  130.369  230.832  223.722  437.656  160.422   28.993   10.450   37.567   7.6537 -8.573706 12.95301 
1 1 1   10    2  -31 o   13.548   4.7270 -431.7725  135.141 -621.1164  196.404 -261.5258  186.237   11.977   6.0419   15.120   7.2715 -3.143173 9.454021 
1 1 1   10    3  -31 o   26.781   6.9629  187.301  142.200  126.499  225.166  227.639  183.401   25.610   10.179   27.952   9.5041 -2.341797 13.92585 
1 1 1   10    4  -31 o  110.610   2.8917  3491.88  166.837  3385.84  196.071  3770.09  317.588  107.903   3.1463  113.317   4.8527 -5.413696 5.783416 
1 1 1   10    5  -31 o   76.712   3.3490  1743.82  144.729  1645.71  227.829  1810.20  187.398   74.736   5.2783   78.688   4.1235 -3.952049 6.698038 
1 1 1   10    6  -31 o   48.985   6.8782  751.236  163.887  748.453  187.788  760.131  335.687   50.123   6.4870   47.847   12.131 2.276154 13.75644 
1 1 1   10    7  -31 o   63.978   4.5906  1163.31  159.663  1393.66  287.489  1060.58  191.994   68.067   7.3131   59.888   5.5509 8.178574 9.181132 
1 1 1   10    8  -31 o  113.123   2.5629  3713.75  164.568  3624.30  212.729  3847.07  259.704  111.537   3.3023  114.708   3.9201 -3.170998 5.125707 
1 1 1   10    9  -31 o   30.348   8.1456  222.640  194.040  145.951  248.132  343.366  311.325   26.736   10.666   33.959   12.314 -7.222979 16.29117 
1 1 1   10   10  -31 f   21.176   9.0978   13.214  200.230   13.214  200.230   0.0000   0.0000   21.176   9.0978  ?   ?       ?      ? 
1 1 1   10   11  -31 o   27.371   6.4676  225.382  120.818  261.790  171.648  189.633  170.087   28.943   9.1619   25.800   9.1313 3.143204 12.93527 
1 1 1   10   12  -31 o   28.350   6.6829  238.195  129.972  323.025  193.321  168.226  175.574   31.680   9.6761   25.020   9.2205 6.660553 13.36581 
1 1 1   10   13  -31 o   49.979   5.1355  761.231  147.969  700.883  204.539  827.490  214.323   47.853   7.4008   52.105   7.1220 -4.251690 10.27108 
1 1 1   10   14  -31 o   42.742   7.9760  587.395  186.937  518.446  222.756  751.583  343.744   39.470   9.8136   46.013   12.576 -6.543648 15.95195 
1 1 1   10   15  -31 o   33.570   7.4282  378.030  161.583  316.909  231.264  436.327  225.857   31.249   10.672   35.890   10.335 -4.641460 14.85640 
1 1 1   10   16  -31 o   65.103   3.7914  1269.07  142.279  1219.06  193.988  1327.31  209.311   63.762   5.2678   66.445   5.4544 -2.682251 7.582872 
1 1 1   10   17  -31 o   42.963   6.6878  613.232  166.755  817.373  242.870  431.164  229.364   50.662   8.3006   35.265   10.488 15.39662 13.37553 
1 1 1   10   18  -31 o   38.992   5.4837  480.245  117.033  423.332  149.305  570.937  188.474   36.200   7.3913   41.784   8.1025 -5.584030 10.96734 
1 1 1   10   19  -31 o   85.475   3.9730  2060.79  147.522  2488.75  369.044  1979.40  160.940   88.969   7.1822   81.981   3.3991 6.987915 7.945916 
1 1 1   10   20  -31 o   37.616   6.5169  475.563  137.394  547.739  223.420  431.668  174.234   39.505   9.8315   35.727   8.5569 3.777950 13.03374 
1 1 1   10   21  -31 o   29.609   7.0187  303.924  150.925  412.045  198.549  155.947  232.279   34.170   9.6413   25.048   10.203 9.122065 14.03744 
1 1 1   10   22  -31 o   62.606   3.6400  1192.99  131.590  1167.62  186.129  1218.34  186.065   61.904   5.2061   63.308   5.0889 -1.404049 7.280092 
1 1 1   10   23  -31 o   55.888   4.9979  1077.41  138.040  795.064  237.532  1221.40  169.623   48.165   8.8656   63.611   4.6171 -15.44555 9.995850 
1 1 1   10   24  -31 o   49.302   5.2337  771.139  146.262  880.080  235.173  702.421  186.780   51.724   7.8724   46.879   6.8987 4.845547 10.46740 
1 1 1   10   25  -31 o   82.308   3.7541  2076.02  157.315  2063.02  183.825  2111.59  304.089   83.076   3.8313   81.541   6.4572 1.535667 7.508226 
1 1 1   10   26  -31 o   15.702   5.4701 -356.5503  159.912 -252.0592  268.786 -413.7990  198.953   18.095   8.7107   13.310   6.6192 4.785412 10.94027 
1 1 1   10   27  -31 o   53.132   6.1636  901.837  189.139  901.837  189.139   0.0000   0.0000   53.132   6.1636  ?   ?       ?      ? 
1 1 1   10   28  -31 o   15.679   5.3830 -256.2348  152.845 -195.4021  220.497 -312.5007  212.059   16.579   7.9572   14.779   7.2517 1.800355 10.76594 
1 1 1   10    0  -32 o   12.522   8.7678 -225.6455  237.492   0.0000   0.0000 -225.6455  237.492   12.522   8.7678   12.522   8.7678 -0.000000 0.000000 
1 1 1   10    1  -32 o   42.659   6.9450  590.177  167.476  558.246  230.967  625.581  243.201   41.429   9.8054   43.889   9.8379 -2.459457 13.88990 
1 1 1   10    2  -32 o   55.657   3.7221  918.454  119.508  944.545  166.745  890.897  171.369   56.511   5.1090   54.803   5.4143 1.708065 7.444233 
1 1 1   10    3  -32 o   13.791   4.8902 -659.8382  168.883 -812.8124  247.012 -525.5650  231.422   13.097   6.6268   14.486   7.1933 -1.389236 9.780489 
1 1 1   10    4  -32 o   86.992   3.4062  2265.13  168.426  1994.74  251.354  2485.46  226.898   82.011   5.3067   91.972   4.2716 -9.960640 6.812329 
1 1 1   10    5  -32 o  107.163   3.2118  3384.09  161.837  3384.69  182.275  3381.87  351.753  107.809   2.9274  106.517   5.7179 1.292664 6.423699 
1 1 1   10    6  -32 o   22.039   6.5239   53.479  139.480   74.320  199.062   33.377  195.495   22.693   9.3669   21.386   9.0832 1.307566 13.04774 
1 1 1   10    7  -32 o   48.202   5.8895  709.420  158.655  866.534  249.544  602.824  205.546   52.951   8.1600   43.454   8.4947 9.497292 11.77905 
1 1 1   10    8  -32 o  102.476   2.6245  3074.93  154.301  3108.75  232.447  3048.29  206.313  102.894   3.9115  102.057   3.5002 0.8368912 5.248988 
1 1 1   10    9  -32 o   61.954   4.4671  1159.16  159.740  1106.25  224.078  1213.83  227.780   60.474   6.4158   63.433   6.2175 -2.959885 8.934129 
1 1 1   10   10  -32 o   28.054   7.0324  227.510  144.116  316.313  215.971  156.227  193.498   31.220   10.309   24.888   9.5673 6.331530 14.06476 
1 1 1   10   11  -32 o   86.149   2.7663  2184.13  137.502  2214.53  199.458  2156.59  189.813   86.689   3.9838   85.609   3.8390 1.080383 5.532545 
1 1 1   10   12  -32 o   70.417   4.2509  1505.71  172.355  1556.66  237.591  1449.11  250.407   71.830   5.7272   69.004   6.2833 2.826210 8.501783 
1 1 1   10   13  -32 o   25.154   6.8597  166.783  140.945  160.824  195.884  173.179  202.958   24.854   9.6062   25.455   9.7951 -0.6016445 13.71947 
1 1 1   10   14  -32 o   18.137   5.6751 -15.8044  114.946 -70.8500  193.096   14.407  143.053   18.373   8.3479   17.900   7.6901 0.4734306 11.35011 
1 1 1   10   15  -32 o   13.476   4.7514 -494.7472  149.059 -550.3518  214.407 -442.7314  207.372   13.178   6.6019   13.775   6.8350 -0.5974703 9.502754 
1 1 1   10   16  -32 o   45.443   5.6662  657.003  141.652  728.670  230.876  613.740  179.382   46.628   8.8979   44.257   7.0180 2.371189 11.33242 
1 1 1   10   17  -32 f   46.383   6.3767  660.462  142.635  853.482  303.611  605.795  161.576   48.550   11.073   44.217   6.3270 4.332256 12.75333 
1 1 1   10   18  -32 o   22.492   6.4384  105.859  131.185  172.440  192.149   47.731  179.539   24.640   9.5169   20.343   8.6740 4.297171 12.87670 
1 1 1   10   19  -32 o   22.575   6.5236   88.412  127.273  209.150  226.713   32.851  153.795   26.418   10.300   18.732   8.0085 7.686630 13.04710 
1 1 1   10   20  -32 o   72.459   3.4982  1609.52  139.310  1534.25  232.369  1651.75  174.060   70.545   5.7033   74.372   4.0523 -3.826675 6.996351 
1 1 1   10   21  -32 o   41.117   6.0489  587.703  132.832  530.190  231.642  615.881  162.138   37.944   10.304   44.289   6.3387 -6.345520 12.09783 
1 1 1   10   22  -32 o   14.637   4.8959 -189.8423  111.453 -24.9259  166.035 -325.0983  150.364   17.597   7.8905   11.676   5.7981 5.921000 9.791767 
1 1 1   10   23  -32 o   69.230   3.9815  1464.66  153.451  1394.81  191.323  1590.65  256.928   67.554   4.9037   70.906   6.2740 -3.351570 7.963017 
1 1 1   10   24  -32 o   26.714   6.6010  256.512  135.548  343.377  168.373   96.537  228.495   30.818   8.9378   22.610   9.7165 8.208241 13.20210 
1 1 1   10   25  -32 o   14.856   5.2413 -395.2452  154.058 -367.5504  281.439 -407.0939  184.086   17.151   8.4034   12.562   6.2664 4.589702 10.48258 
1 1 1   10   26  -32 o   39.186   6.1398  560.489  134.486  539.332  203.941  576.769  178.894   37.799   9.3851   40.572   7.9188 -2.772556 12.27955 
1 1 1   10    0  -33 o   24.189   9.3670  272.100  188.669  306.182  261.879  235.320  272.047   25.412   13.398   22.965   13.094 -0.000000 0.000000 
1 1 1   10    1  -33 o   30.293   6.1510  290.796  121.500  148.583  170.660  436.964  173.018   23.893   9.0323   36.693   8.3519 -12.80061 12.30191 
1 1 1   10    2  -33 o   85.398   4.0212  2209.62  174.868  2231.32  204.902  2151.45  335.496   86.992   4.0783   83.804   6.9317 3.187843 8.042451 
1 1 1   10    3  -33 o   88.884   4.1428  2368.52  204.299  2333.62  255.198  2430.80  340.915   88.491   4.9934   89.278   6.6118 -0.7870636 8.285501 
1 1 1   10    4  -33 o   51.794   4.3752  825.532  126.218  760.751  202.327  866.805  161.496   49.740   7.0431   53.847   5.1929 -4.107048 8.750484 
1 1 1   10    5  -33 o   79.374   4.5164  1861.58  169.225  1819.84  190.175  2020.31  370.879   78.467   4.1964   80.282   7.9989 -1.814384 9.032880 
1 1 1   10    6  -33 o   61.272   5.4143  1113.30  152.202  1271.68  348.868  1076.06  169.148   62.473   9.6690   60.072   4.8754 2.401463 10.82867 
1 1 1   10    7  -33 o   62.766   4.8049  1215.18  173.600  1151.44  250.925  1273.70  240.425   60.992   7.1234   64.539   6.4502 -3.547119 9.609740 
1 1 1   10    8  -33 o   47.794   7.1772  821.446  172.983  879.652  201.256  656.838  338.446   53.554   6.5069   42.034   12.795 11.52003 14.35449 
1 1 1   10    9  -33 o   13.648   4.7185 -301.8809  119.305 -187.8317  183.006 -386.1779  157.335   15.686   7.4509   11.609   5.7915 4.077345 9.436970 
1 1 1   10   10  -33 o   34.983   7.0254  395.406  152.365  607.961  239.654  251.202  197.396   41.966   10.025   27.999   9.8447 13.96683 14.05074 
1 1 1   10   11  -33 o   93.037   2.8127  2557.97  150.415  2496.46  202.065  2634.41  225.258   91.885   3.8077   94.189   4.1409 -2.303551 5.625461 
1 1 1   10   12  -33 o   21.549   6.3590   51.515  138.689 -75.3229  202.836  162.877  190.059   18.628   8.4991   24.470   9.4611 -5.842030 12.71801 
1 1 1   10   13  -33 o   17.158   5.7560 -224.7606  150.913 -331.9358  197.853 -75.6640  233.361   14.394   7.0508   19.923   9.1002 -5.529749 11.51208 
1 1 1   10   14  -33 o   20.429   6.8172 -153.9130  168.311 -12.6258  355.922 -194.6086  191.019   25.013   11.353   15.846   7.5508 9.167824 13.63440 
1 1 1   10   15  -33 o   53.065   4.9554  939.577  135.001  1037.97  167.949  759.925  226.941   58.569   4.9651   47.561   8.5774 11.00779 9.910816 
1 1 1   10   16  -33 o   69.580   5.7113  1489.77  229.511  1489.77  229.511   0.0000   0.0000   69.580   5.7113  ?   ?       ?      ? 
1 1 1   10   17  -33 o   26.834   6.5049  230.455  128.975  111.996  182.597  348.401  182.200   22.228   9.0490   31.440   9.3473 -9.212343 13.00989 
1 1 1   10   18  -33 o   73.491   5.9187  1793.95  251.069  1759.79  348.129  1830.99  362.435   72.875   8.2713   74.106   8.4682 -1.230560 11.83744 
1 1 1   10   19  -33 o   41.496   5.7762  601.099  133.978  787.658  184.793  394.366  194.529   49.971   6.4030   33.022   9.6156 16.94827 11.55246 
1 1 1   10   20  -33 o   61.394   3.3445  1148.92  117.933  1012.82  166.259  1286.75  167.309   57.541   5.0029   65.247   4.4399 -7.705494 6.688938 
1 1 1   10   21  -33 o   29.332   6.4176  313.874  143.221   38.540  229.175  490.316  183.459   21.398   9.4508   37.266   8.6847 -15.86828 12.83518 
1 1 1   10   22  -33 o   66.488   3.3581  1357.78  128.254  1303.11  188.799  1404.62  174.769   65.012   5.0283   67.964   4.4525 -2.951294 6.716282 
1 1 1   10   23  -33 o   42.049   6.1774  705.805  135.088  456.073  248.974  809.996  160.818   33.287   11.073   50.811   5.4801 -17.52408 12.35475 
1 1 1   10   24  -33 o   34.434   6.7828  461.878  149.190  286.370  210.433  639.249  211.546   27.309   10.089   41.559   9.0686 -14.24927 13.56551 
1 1 1   10    0  -34 o   44.542   9.4295  676.302  213.369   0.0000   0.0000  676.302  213.369   44.542   9.4295   44.542   9.4295 -0.000000 0.000000 
1 1 1   10    1  -34 o   31.159   6.7088  349.318  138.131  173.373  249.985  426.648  165.729   26.385   10.643   35.933   8.1707 -9.547560 13.41761 
1 1 1   10    2  -34 o   20.213   6.5117 -37.1217  150.451   22.760  169.014 -265.6903  330.205   19.381   8.3432   21.045   9.9998 -1.663782 13.02330 
1 1 1   10    3  -34 o   52.291   5.1444  860.944  149.068  867.898  187.464  848.986  245.836   53.206   6.1007   51.377   8.2849 1.828064 10.28871 
1 1 1   10    4  -34 o   43.716   4.8162  585.338  119.661  648.805  190.068  543.664  154.016   45.441   7.2423   41.991   6.3507 3.450031 9.632344 
1 1 1   10    5  -34 o   31.004   6.8483  335.458  124.089  243.001  290.405  356.109  137.249   28.943   11.542   33.066   7.3747 -4.122507 13.69663 
1 1 1   10    6  -34 o   62.050   3.9520  1162.40  141.027  1055.77  189.468  1294.88  211.177   58.897   5.5700   65.203   5.6078 -6.306526 7.903965 
1 1 1   10    7  -34 o   19.136   5.9393   0.8772  125.799  -1.0536  185.846   2.5100  170.906   19.438   8.5513   18.834   8.2449 0.6042747 11.87870 
1 1 1   10    8  -34 f   21.667   6.2263   98.649  121.502  124.927  155.335   57.231  195.013   22.040   8.5444   21.294   9.0588 0.7454205 12.45264 
1 1 1   10    9  -34 o   37.001   7.6413  506.014  167.959  526.723  199.300  455.259  312.007   39.241   8.9873   34.762   12.361 4.478657 15.28254 
1 1 1   10   10  -34 o   54.855   5.0522  960.394  156.133  990.535  202.658  916.377  244.903   56.520   6.2084   53.190   7.9722 3.329639 10.10441 
1 1 1   10   11  -34 o   42.850   6.6281  634.652  156.361  625.106  199.939  649.682  250.891   43.196   8.3161   42.504   10.323 0.6919022 13.25611 
1 1 1   10   12  -34 o   19.843   6.0013  -1.4454  130.968  146.645  184.959 -150.3648  185.476   23.485   9.2594   16.202   7.6372 7.282595 12.00267 
1 1 1   10   13  -34 o   23.159   6.1628  118.909  129.285 -87.7535  195.006  280.987  172.695   17.784   8.1951   28.534   9.2065 -10.75036 12.32557 
1 1 1   10   14  -34 o   61.589   4.8131  1242.79  163.377  1527.16  222.058  907.187  241.232   70.533   5.4512   52.645   7.9341 17.88826 9.626258 
1 1 1   10   15  -34 f   88.384   3.6330  2390.77  184.948  2211.98  262.622  2566.68  260.501   84.889   5.3567   91.879   4.9092 -6.989922 7.265926 
1 1 1   10   16  -34 o   59.863   4.2137  1156.41  133.477  1232.30  163.506  1004.81  231.102   63.913   4.4295   55.813   7.1695 8.100456 8.427442 
1 1 1   10   17  -34 o   15.674   7.4914 -189.6779  190.999   0.0000   0.0000 -189.6779  190.999  ?   ?    15.674   7.4914      ?      ? 
1 1 1   10   18  -34 o   37.976   5.5613  472.014  115.879  607.867  188.156  388.999  147.082   42.198   8.0135   33.754   7.7133 8.443054 11.12258 
1 1 1   10   19  -34 f   14.925   5.0733 -223.3401  131.262 -103.8912  177.074 -369.0399  195.566   16.286   7.6081   13.563   6.7135 2.722456 10.14668 
1 1 1   10   20  -34 o   22.056   6.8398   62.086  168.479  147.839  244.032 -16.0136  232.888   23.979   10.165   20.132   9.1549 3.846956 13.67958 
1 1 1   10   21  -34 o   42.034   6.2259  669.624  149.086  436.021  222.402  860.263  200.911   32.929   10.429   51.138   6.8026 -18.20866 12.45173 
1 1 1   10    0  -35 o   45.784   7.1204  736.176  161.725  707.935  249.923  756.521  212.124   43.786   11.438   47.783   8.4842 -0.000000 0.000000 
1 1 1   10    1  -35 o   28.499   6.5563  272.845  120.465  294.670  200.645  260.543  150.635   29.221   9.9408   27.776   8.5510 1.445433 13.11257 
1 1 1   10    2  -35 o   31.694   6.6599  305.956  128.479  198.081  156.448  529.402  225.163   24.916   8.7641   38.473   10.030 -13.55619 13.31988 
1 1 1   10    3  -35 o   28.063   5.4767  268.778  120.371 -87.9223  200.419  470.047  150.548   18.095   8.3273   38.030   7.1158 -19.93520 10.95346 
1 1 1   10    4  -35 f   21.686   6.6948   20.367  162.419  117.532  224.633 -86.0777  235.117   23.730   9.8852   19.641   9.0314 4.089725 13.38968 
1 1 1   10    5  -35 f   64.815   4.0105  1232.60  141.824  1477.30  253.085  1120.57  171.237   68.772   6.3719   60.858   4.8719 7.914234 8.020986 
1 1 1   10    6  -35 o   22.784   6.6477   89.184  149.741 -51.4954  222.533  205.586  202.423   19.727   8.9624   25.840   9.8205 -6.113087 13.29539 
1 1 1   10    7  -35 o   19.669   6.3943 -91.9126  160.270 -150.7395  202.376   7.0461  262.481   17.019   8.0086   22.319   9.9704 -5.300209 12.78855 
1 1 1   10    8  -35 o   51.876   4.1507  808.673  122.068  1061.66  190.021  630.924  159.279   58.740   5.6012   45.011   6.1271 13.72872 8.301492 
1 1 1   10    9  -35 o   30.781   6.3365  342.814  122.777  242.755  200.573  402.774  155.266   27.021   9.8706   34.541   7.9483 -7.519373 12.67297 
1 1 1   10   10  -35 o   14.308   4.9236 -267.2884  130.061 -264.8941  185.479 -269.6046  182.429   14.420   7.0115   14.196   6.9142 0.2237549 9.847157 
1 1 1   10   11  -35 o   69.781   4.7397  1533.17  186.783  1614.03  299.205  1481.54  239.092   70.650   7.3328   68.911   6.0075 1.739113 9.479420 
1 1 1   10   12  -35 o   50.274   5.4709  846.970  131.164  805.070  258.087  861.560  152.298   47.405   9.7520   53.144   4.9620 -5.738068 10.94178 
1 1 1   10   13  -35 o   44.299   7.2469  725.975  182.120  794.526  258.236  658.141  256.881   46.846   9.8568   41.752   10.626 5.093971 14.49390 
1 1 1   10   14  -35 o   53.515   6.1892  976.867  164.858  965.448  194.328  1006.19  311.387   55.363   6.0776   51.667   10.784 3.695782 12.37840 
1 1 1   10   15  -35 o   28.097   7.9130  221.027  159.349  162.923  177.604  460.875  360.844   23.339   9.1118   32.855   12.940 -9.516718 15.82604 
1 1 1   10   16  -35 o   17.921   5.6680 -13.6361  121.646 -75.8972  184.206   34.514  161.992   17.133   7.9196   18.710   8.1107 -1.577038 11.33597 
1 1 1   10   17  -35 o   12.773   4.6196 -769.2308  170.162 -962.8320  314.592 -689.1639  202.311   14.225   7.2271   11.321   5.7561 2.904113 9.239264 
1 1 1   10   18  -35 o   31.428   6.3768  369.655  121.723  356.806  181.958  380.061  163.760   30.629   9.3929   32.227   8.6272 -1.598116 12.75366 
1 1 1   10    0  -36 f   64.832   5.8982  1288.86  216.644   0.0000   0.0000  1288.86  216.644   64.832   5.8982   64.832   5.8982 -0.000000 0.000000 
1 1 1   10    1  -36 o   71.780   3.6916  1564.11  152.352  1414.43  204.436  1751.08  228.481   67.962   5.2084   75.598   5.2330 -7.636253 7.383233 
1 1 1   10    2  -36 o   46.266   5.6443  734.456  136.640  786.368  169.659  638.625  230.513   50.301   5.8401   42.231   9.6606 8.069504 11.28863 
1 1 1   10    3  -36 o   31.472   6.8207  359.848  136.233  324.943  207.449  386.316  180.644   29.985   10.108   32.959   9.1602 -2.973890 13.64146 
1 1 1   10    4  -36 o   17.504   5.9945 -306.2215  186.865 -427.4902  291.489 -221.6113  243.478   17.321   8.4997   17.688   8.4552 -0.3671741 11.98902 
1 1 1   10    5  -36 o   41.737   8.0839  650.441  185.258  752.494  360.502  613.820  215.955   41.808   13.282   41.666   9.2185 0.1426048 16.16774 
1 1 1   10    6  -36 o   42.300   6.7290  636.937  147.939  639.395  172.826  630.198  286.160   44.784   6.6819   39.817   11.682 4.967129 13.45807 
1 1 1   10    7  -36 o   48.212   5.7517  791.796  153.361  703.490  229.407  863.148  206.212   44.589   9.2129   51.835   6.8882 -7.245281 11.50331 
1 1 1   10    8  -36 o   27.914   6.4754  232.620  126.375  452.238  205.730   99.532  160.152   35.005   9.7921   20.823   8.4756 14.18218 12.95073 
1 1 1   10    9  -36 f   18.398   5.9213 -73.4036  142.802 -201.5020  203.811   50.127  200.144   16.075   7.6979   20.722   8.9993 -4.647499 11.84250 
1 1 1   10   10  -36 o   34.434   6.5663  417.393  135.454  300.685  177.855  578.586  209.020   28.801   9.3481   40.067   9.2236 -11.26603 13.13250 
1 1 1   10   11  -36 o   40.043   5.7681  563.544  127.360  493.187  203.247  609.032  163.424   36.513   9.5347   43.573   6.4941 -7.059063 11.53618 
1 1 1   10   12  -36 o   16.665   5.4376 -78.4115  124.223 -238.2150  212.275   4.8168  153.194   15.838   7.6533   17.492   7.7263 -1.653468 10.87514 
1 1 1   10   13  -36 o   19.737   6.5089 -88.2803  182.733   36.624  212.290 -445.4989  359.012   20.501   9.0732   18.973   9.3350 1.527519 13.01787 
1 1 1   10   14  -36 o   37.352   8.0965  589.660  183.143  587.639  212.443  595.509  361.391   39.619   9.4220   35.086   13.170 4.532864 16.19298 
1 1 1   10   15  -36 o   36.853   6.7900  500.142  144.758  668.374  232.055  392.975  185.212   41.710   9.7995   31.997   9.4014 9.713152 13.57995 
1 1 1   10    0  -37 o   48.638   8.5611  797.826  218.230   0.0000   0.0000  797.826  218.230   48.638   8.5611   48.638   8.5611 -0.000000 0.000000 
1 1 1   10    1  -37 o   47.166   5.4145  752.346  142.332  688.189  209.753  807.098  193.772   44.360   8.4965   49.972   6.7140 -5.611633 10.82905 
1 1 1   10    2  -37 o   51.543   5.1418  923.419  131.152  754.022  232.413  1002.57  158.863   45.896   9.0896   57.191   4.8096 -11.29536 10.28366 
1 1 1   10    3  -37 o   59.037   6.2733  1230.55  179.416  1251.19  210.852  1176.39  341.544   63.054   5.7900   55.020   11.131 8.034424 12.54653 
1 1 1   10    4  -37 o   15.073   5.3927 -861.1175  227.498 -745.4052  293.058 -1036.5990  360.894   14.717   7.4187   15.429   7.8287 -0.7115688 10.78543 
1 1 1   10    5  -37 o   27.474   5.9497  289.055  126.029 -23.9229  232.107  419.908  150.080   20.009   9.1147   34.938   7.6497 -14.92890 11.89942 
1 1 1   10    6  -37 f   19.476   6.2281 -51.0485  146.125  119.271  239.715 -151.7612  184.333   23.213   9.9633   15.738   7.4761 7.475262 12.45630 
1 1 1   10    7  -37 o   35.393   6.1388  471.407  125.822  543.693  162.159  362.046  199.454   40.094   7.2707   30.693   9.8932 9.400745 12.27753 
1 1 1   10    8  -37 o   27.365   7.3003  289.019  160.677   52.144  365.566  345.737  178.882   24.423   11.242   30.307   9.3164 -5.883722 14.60057 
1 1 1   10    9  -37 o   29.502   7.5701  336.625  157.923  389.917  287.992  313.710  188.848   30.350   11.671   28.654   9.6446 1.695583 15.14012 
1 1 1   10   10  -37 f   17.360   5.5221 -15.0599  117.271 -80.2172  180.281   32.734  154.403   16.634   7.7390   18.086   7.8792 -1.452654 11.04417 
1 1 1   11    0    0 -  ?   ?  -1036.0110  225.948   0.0000   0.0000 -1036.0110  225.948  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   11    1    0 o  514.023   2.7330 76039.96  767.175 77190.19  1325.52 75460.57  940.755  516.909   4.4408  511.135   3.1871 -0.000000 0.000000 
1 1 1   11    2    0 o  381.406   2.2050 42119.98  458.526 41716.98  789.943 42324.75  563.098  380.009   3.6000  382.805   2.5472 -0.000000 0.000000 
1 1 1   11    3    0 o  171.426   2.0958  8507.04  206.769  8311.21  302.037  8679.76  283.659  169.558   3.0866  173.295   2.8359 -0.000000 0.000000 
1 1 1   11    4    0 o  466.634   2.9507 62916.29  794.594 60114.06  1119.65 65759.73  1127.85  456.157   4.2508  477.110   4.0937 -0.000000 0.000000 
1 1 1   11    5    0 o  236.164   1.9282 16242.97  260.761 18064.34  361.804 14274.21  376.158  250.066   2.5057  222.262   2.9315 -0.000000 0.000000 
1 1 1   11    6    0 o  533.435   3.2438 82209.15  999.033 80276.55  1409.29 84161.40  1416.43  527.129   4.6299  539.741   4.5446 -0.000000 0.000000 
1 1 1   11    7    0 o  262.000   2.0006 19831.12  302.639 19852.91  427.752 19809.27  428.242  262.144   2.8261  261.855   2.8324 -0.000000 0.000000 
1 1 1   11    8    0 o  458.762   2.8526 60801.30  755.672 60637.91  1068.71 60964.68  1068.65  458.145   4.0397  459.379   4.0286 -0.000000 0.000000 
1 1 1   11    9    0 o  211.253   1.9479 12900.46  237.443 13350.90  335.259 12447.13  336.334  214.959   2.7014  207.547   2.8070 -0.000000 0.000000 
1 1 1   11   10    0 o  1009.00   5.9154 294324.00  3446.50 291398.81  4874.34 297248.69  4873.84  1003.98   8.4077  1014.02   8.3235 -0.000000 0.000000 
1 1 1   11   11    0 o  617.642   3.7109 110227.10  1323.53 110310.60  1869.72 110143.30  1873.81  617.877   5.2403  617.407   5.2558 -0.000000 0.000000 
1 1 1   11   12    0 o  201.233   2.2418 11705.28  260.346 11991.61  368.588 11420.20  367.782  203.693   3.1348  198.773   3.2056 -0.000000 0.000000 
1 1 1   11   13    0 o  311.409   2.4070 28019.74  432.781 27867.11  612.665 28171.76  611.427  310.562   3.4167  312.257   3.3913 -0.000000 0.000000 
1 1 1   11   14    0 o  106.536   2.5001  3290.01  153.348  3432.25  217.322  3148.96  216.416  108.845   3.4651  104.227   3.6050 -0.000000 0.000000 
1 1 1   11   15    0 o  119.893   2.8849  4158.80  199.499   0.0000   0.0000  4158.80  199.499  119.893   2.8849  119.893   2.8849 -0.000000 0.000000 
1 1 1   11   16    0 o  159.115   2.1220  7317.04  194.580  7381.51  283.187  7259.38  267.812  159.775   3.0714  158.456   2.9287 -0.000000 0.000000 
1 1 1   11   17    0 o  256.470   2.1959 19040.58  324.320 20606.59  458.546 17473.04  458.769  267.052   2.9739  245.888   3.2318 -0.000000 0.000000 
1 1 1   11   18    0 o   51.068   6.6004  805.652  164.158  881.759  290.360  769.898  199.016   52.078   10.967   50.058   7.3476 -0.000000 0.000000 
1 1 1   11   19    0 o  120.867   2.4585  4087.24  144.375  3970.44  163.577  4498.95  307.114  117.172   2.4195  124.561   4.2805 -0.000000 0.000000 
1 1 1   11   20    0 o   98.275   3.3259  2753.17  185.028  2498.66  238.207  3140.30  293.785   92.663   4.4748  103.887   4.9216 -0.000000 0.000000 
1 1 1   11   21    0 o   52.139   5.1568  808.655  151.799   0.0000   0.0000  808.655  151.799   52.139   5.1568   52.139   5.1568 -0.000000 0.000000 
1 1 1   11   22    0 o   11.429   5.5732 -135.8437  123.272 -179.9975  180.962 -97.6152  168.383   11.038   7.7124   11.819   8.0475 -0.000000 0.000000 
1 1 1   11   23    0 o   92.308   2.4918  2465.29  132.126  2588.28  194.699  2360.29  179.889   94.437   3.5814   90.179   3.4656 -0.000000 0.000000 
1 1 1   11   24    0 o  250.911   1.9363 18176.28  280.338 18719.20  405.336 17678.46  388.138  254.499   2.7584  247.324   2.7180 -0.000000 0.000000 
1 1 1   11   25    0 o   68.659   3.3784  1372.24  133.224   0.0000   0.0000  1372.24  133.224   68.659   3.3784   68.659   3.3784 -0.000000 0.000000 
1 1 1   11   26    0 o   45.821   5.7495  635.833  145.659  635.833  145.659   0.0000   0.0000   45.821   5.7495   45.821   5.7495 -0.000000 0.000000 
1 1 1   11   27    0 o  325.418   2.2291 30653.80  418.223 29742.43  602.715 31500.13  580.806  320.733   3.2545  330.102   3.0471 -0.000000 0.000000 
1 1 1   11   28    0 o   7.7109   5.6744 -517.3206  177.310 -517.3206  177.310   0.0000   0.0000   7.7109   5.6744   7.7109   5.6744 -0.000000 0.000000 
1 1 1   11   29    0 o   12.845   5.8702 -23.1487  107.699   55.337  140.090 -136.5741  168.410   14.574   8.8715   11.116   7.6896 -0.000000 0.000000 
1 1 1   11   30    0 o   30.108   9.8036  335.124  150.885   0.0000   0.0000  335.124  150.885   30.108   9.8036   30.108   9.8036 -0.000000 0.000000 
1 1 1   11   31    0 o   11.627   5.7178 -159.2390  131.906 -223.2701  220.256 -123.4318  164.710   12.091   8.4610   11.163   7.6930 -0.000000 0.000000 
1 1 1   11   32    0 o   38.906   6.8189  513.865  129.925  509.478  206.901  516.721  166.946   37.901   10.899   39.911   8.1970 -0.000000 0.000000 
1 1 1   11   33    0 o   81.350   3.0857  1889.68  141.282  2143.15  227.812  1731.26  180.099   85.667   4.6355   77.033   4.0741 -0.000000 0.000000 
1 1 1   11   34    0 o   71.852   4.0309  1524.92  164.078  1523.46  221.771  1526.68  243.883   71.894   5.4116   71.810   5.9756 -0.000000 0.000000 
1 1 1   11   35    0 o  176.628   1.9409  8704.19  194.144 10856.83  313.406  7363.79  247.309  193.723   2.8025  159.534   2.6858 -0.000000 0.000000 
1 1 1   11   36    0 o  120.960   3.6585  4246.63  255.052  4246.63  255.052   0.0000   0.0000  120.960   3.6585  120.960   3.6585 -0.000000 0.000000 
1 1 1   11   37    0 o   88.509   3.3519  2293.01  168.541  1905.37  233.449  2715.02  243.579   80.544   5.0644   96.473   4.3924 -0.000000 0.000000 
1 1 1   11   38    0 o   87.857   4.5646  2258.66  230.188  2258.66  230.188   0.0000   0.0000   87.857   4.5646   87.857   4.5646 -0.000000 0.000000 
1 1 1   11   39    0 o   21.836   11.859  205.549  210.623  205.549  210.623   0.0000   0.0000   21.836   11.859   21.836   11.859 -0.000000 0.000000 
1 1 1   11   40    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   41    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   42    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   43    0 o  132.519   4.3140  5159.11  329.381   0.0000   0.0000  5159.11  329.381  132.519   4.3140  132.519   4.3140 -0.000000 0.000000 
1 1 1   11   44    0 o   20.417   12.620  152.149  293.537   0.0000   0.0000  152.149  293.537   20.417   12.620   20.417   12.620 -0.000000 0.000000 
1 1 1   11   45    0 o   10.557   7.7208 -656.6173  292.812   0.0000   0.0000 -656.6173  292.812   10.557   7.7208   10.557   7.7208 -0.000000 0.000000 
1 1 1   11   46    0 o   25.635   14.061  349.350  299.170   0.0000   0.0000  349.350  299.170   25.635   14.061   25.635   14.061 -0.000000 0.000000 
1 1 1   11   47    0 o   28.966   14.621  455.492  303.030   0.0000   0.0000  455.492  303.030   28.966   14.621   28.966   14.621 -0.000000 0.000000 
1 1 1   11   48    0 f   13.893   9.7589 -219.4873  301.267   0.0000   0.0000 -219.4873  301.267   13.893   9.7589   13.893   9.7589 -0.000000 0.000000 
1 1 1   11    0   -1 o  274.136   2.1249 21706.17  336.379   0.0000   0.0000 21706.17  336.379  274.136   2.1249  274.136   2.1249 -0.000000 0.000000 
1 1 1   11    1   -1 o  407.701   2.0933 48416.52  398.428 47314.62  873.518 48705.99  447.713  404.727   3.7370  410.675   1.8876 -5.948700 4.186692 
1 1 1   11    2   -1 f  341.136   1.9060 33498.22  327.871 33381.27  379.848 33839.97  649.343  339.984   1.9345  342.288   3.2847 -2.304596 3.812028 
1 1 1   11    3   -1 o  376.790   1.5362 40874.90  316.202 40615.36  387.948 41388.57  545.763  375.020   1.7912  378.561   2.4962 -3.541626 3.072356 
1 1 1   11    4   -1 o  130.093   2.3777  4769.51  168.253  5237.66  298.328  4551.14  203.749  134.656   3.8360  125.530   2.8104 9.126266 4.755344 
1 1 1   11    5   -1 o   69.063   3.8478  1374.10  153.147  1507.15  222.825  1254.99  210.836   72.223   5.3420   65.903   5.5393 6.319580 7.695521 
1 1 1   11    6   -1 o  279.115   2.1109 22501.88  340.244 22124.38  480.678 22880.94  481.677  276.768   3.0071  281.461   2.9631 -4.693115 4.221738 
1 1 1   11    7   -1 o  309.066   2.1547 27589.20  384.593 27962.67  545.226 27219.34  542.578  311.148   3.0341  306.984   3.0603 4.164032 4.309384 
1 1 1   11    8   -1 o  137.885   1.8809  5483.97  142.329  5468.34  175.639  5513.85  242.904  137.602   2.2101  138.167   3.0440 -0.5643311 3.761721 
1 1 1   11    9   -1 o  400.494   1.8080 46325.07  418.185 46422.59  591.342 46227.52  591.464  400.915   2.5539  400.072   2.5598 0.8433838 3.615919 
1 1 1   11   10   -1 o  205.640   1.8497 12213.87  219.683 12312.82  310.754 12115.01  310.602  206.473   2.6060  204.807   2.6259 1.665588 3.699495 
1 1 1   11   11   -1 o  372.359   2.0877 39989.12  422.459 39874.28  516.031 40222.50  735.649  371.564   2.4047  373.153   3.4135 -1.588562 4.175449 
1 1 1   11   12   -1 o  370.802   2.3676 39920.03  476.211 40314.50  582.543 39125.42  826.797  373.599   2.6998  368.005   3.8901 5.594086 4.735177 
1 1 1   11   13   -1 o  191.106   1.7615 10569.41  183.702 10484.51  316.143 10612.69  225.719  190.519   2.8732  191.693   2.0388 -1.173920 3.523040 
1 1 1   11   14   -1 o  208.777   2.1428 12589.07  258.377   0.0000   0.0000 12589.07  258.377  ?   ?   208.777   2.1428      ?      ? 
1 1 1   11   15   -1 o   99.362   2.1272  2867.42  115.477  2804.33  197.529  2900.17  142.333   98.522   3.4715  100.203   2.4595 -1.681488 4.254411 
1 1 1   11   16   -1 o   98.604   2.1489  2808.35  108.814  2807.80  127.459  2809.83  208.960   98.595   2.2384   98.612   3.6690 -0.1683807E-01 4.297882 
1 1 1   11   17   -1 o  213.425   2.1198 13156.66  261.287 13156.66  261.287   0.0000   0.0000  213.425   2.1198  ?   ?       ?      ? 
1 1 1   11   18   -1 o  140.484   2.5030  5701.21  203.087  5701.21  203.087   0.0000   0.0000  140.484   2.5030  ?   ?       ?      ? 
1 1 1   11   19   -1 o  132.086   2.2916  5182.56  121.943  5240.33  132.011  4846.58  318.357  134.698   1.6969  129.474   4.2574 5.223801 4.583135 
1 1 1   11   20   -1 f  188.692   1.9464 10291.15  211.948 10390.34  294.854 10185.10  304.877  189.636   2.6922  187.749   2.8117 1.886856 3.892707 
1 1 1   11   21   -1 o  227.639   1.8086 14985.07  224.597 14933.22  387.205 15011.37  275.720  227.321   2.9493  227.956   2.0943 -0.6356201 3.617211 
1 1 1   11   22   -1 o  123.026   1.6133  4371.50  114.512  4342.62  158.202  4403.29  165.966  122.601   2.2343  123.452   2.3278 -0.8508987 3.226506 
1 1 1   11   23   -1 o  143.824   1.6387  5944.76  123.416  6053.03  230.541  5901.27  146.116  144.719   2.7583  142.929   1.7701 1.790466 3.277379 
1 1 1   11   24   -1 o  108.741   1.8322  3427.11  114.261  3505.23  153.793  3330.86  170.707  110.134   2.4179  107.348   2.7534 2.786049 3.664331 
1 1 1   11   25   -1 o  112.839   1.8722  3668.57  108.670  3706.75  208.615  3654.36  127.306  113.215   3.1905  112.463   1.9600 0.7523804 3.744417 
1 1 1   11   26   -1 o   71.079   2.8854  1473.22  111.143  1432.36  192.869  1493.53  135.993   70.302   4.7501   71.855   3.2770 -1.552879 5.770823 
1 1 1   11   27   -1 o  283.035   1.8131 23234.21  277.278 23372.59  337.628 22947.53  485.971  284.391   2.0556  281.678   2.9872 2.712921 3.626173 
1 1 1   11   28   -1 o  252.476   2.0709 18439.31  301.627 18489.45  417.018 18384.30  436.799  252.846   2.8557  252.106   2.9999 0.7396851 4.141824 
1 1 1   11   29   -1 o  118.979   1.8243  4079.68  122.876  4160.33  194.954  4026.52  158.269  119.937   2.8145  118.021   2.3219 1.915680 3.648634 
1 1 1   11   30   -1 o  138.123   1.7102  5557.86  130.084  5659.88  162.052  5373.02  218.137  139.944   2.0050  136.302   2.7710 3.641769 3.420334 
1 1 1   11   31   -1 o  105.831   2.9152  3239.93  178.181   0.0000   0.0000  3239.93  178.181  ?   ?   105.831   2.9152      ?      ? 
1 1 1   11   32   -1 o   82.849   2.8053  2022.39  119.468  1914.92  225.699  2064.22  140.813   81.227   4.8111   84.470   2.8864 -3.243599 5.610525 
1 1 1   11   33   -1 o   48.757   5.8451  711.339  158.818  568.224  220.932  864.378  228.464   43.146   9.1499   54.368   7.2759 -11.22226 11.69014 
1 1 1   11   34   -1 o   20.290   5.9685 -220.9403  150.270 -681.5868  218.412  193.106  207.070   12.798   6.4455   27.781   10.047 -14.98276 11.93704 
1 1 1   11   35   -1 o  169.430   1.9160  8298.86  187.487  8298.86  187.487   0.0000   0.0000  169.430   1.9160  ?   ?       ?      ? 
1 1 1   11   36   -1 o  136.919   2.3700  5432.96  187.371  5525.56  268.579  5345.15  261.526  138.052   3.3686  135.785   3.3349 2.266983 4.740097 
1 1 1   11   37   -1 o  134.147   2.3993  5233.00  185.479  4932.30  265.625  5519.13  259.109  130.351   3.5283  137.942   3.2524 -7.590378 4.798652 
1 1 1   11   38   -1 o   73.526   5.1669  1582.43  219.410   0.0000   0.0000  1582.43  219.410  ?   ?    73.526   5.1669      ?      ? 
1 1 1   11   39   -1 o   28.992   8.4768  259.288  150.903   0.0000   0.0000  259.288  150.903  ?   ?    28.992   8.4768      ?      ? 
1 1 1   11   40   -1 o   37.510   11.258  456.854  263.371   0.0000   0.0000  456.854  263.371  ?   ?    37.510   11.258      ?      ? 
1 1 1   11   41   -1 o   38.537   12.148  500.298  302.022   0.0000   0.0000  500.298  302.022  ?   ?    38.537   12.148      ?      ? 
1 1 1   11   42   -1 o   41.449   7.4440  543.226  171.650   0.0000   0.0000  543.226  171.650  ?   ?    41.449   7.4440      ?      ? 
1 1 1   11   43   -1 o  132.168   4.3590  5191.51  332.734   0.0000   0.0000  5191.51  332.734  ?   ?   132.168   4.3590      ?      ? 
1 1 1   11   44   -1 o   17.945   8.7544 -415.7417  295.921   0.0000   0.0000 -415.7417  295.921  ?   ?    17.945   8.7544      ?      ? 
1 1 1   11   45   -1 o   31.386   11.951  352.587  300.133   0.0000   0.0000  352.587  300.133  ?   ?    31.386   11.951      ?      ? 
1 1 1   11   46   -1 f   40.550   8.3510  648.173  211.493  511.512  294.619  793.467  303.783   35.791   12.046   45.308   11.569 -9.516781 16.70198 
1 1 1   11   47   -1 o   68.426   5.5083  1561.40  216.151  1369.72  304.594  1755.86  306.785   63.578   8.2953   73.275   7.2493 -9.696899 11.01652 
1 1 1   11   48   -1 o   14.115   6.9361 -310.8469  196.192   0.0000   0.0000 -310.8469  196.192  ?   ?    14.115   6.9361      ?      ? 
1 1 1   11    0   -2 o  277.059   2.3081 22172.31  369.268 22172.31  369.268   0.0000   0.0000  277.059   2.3081  277.059   2.3081 -0.000000 0.000000 
1 1 1   11    1   -2 o   70.067   3.4017  1415.73  137.481  1467.94  200.696  1369.56  188.713   71.281   4.8750   68.852   4.7457 2.428978 6.803488 
1 1 1   11    2   -2 o  378.188   2.0709 41481.22  392.264 40962.71  780.418 41656.50  453.747  376.584   3.5882  379.792   2.0686 -3.207825 4.141813 
1 1 1   11    3   -2 o  188.146   1.9990 10244.43  204.574 10162.33  354.352 10285.47  250.543  187.574   3.2710  188.717   2.2987 -1.143188 3.997921 
1 1 1   11    4   -2 f  374.574   2.6450 40526.68  572.188 40720.37  812.064 40335.70  806.357  375.462   3.7449  373.685   3.7363 1.777374 5.289970 
1 1 1   11    5   -2 o  382.000   2.8343 42156.38  625.263 42604.56  882.006 41703.59  886.522  384.042   3.9766  379.957   4.0399 4.084473 5.668659 
1 1 1   11    6   -2 o  569.401   3.6611 93679.75  1203.95 92988.66  1701.76 94372.29  1703.54  567.298   5.1940  571.505   5.1612 -4.207031 7.322235 
1 1 1   11    7   -2 o  223.260   2.0485 14396.70  264.103 14387.84  376.411 14405.29  370.652  223.192   2.9201  223.328   2.8737 -0.1360016 4.096950 
1 1 1   11    8   -2 o  283.092   1.7766 23259.32  274.470 23497.14  337.810 22797.37  470.818  285.239   2.0506  280.945   2.9017 4.293427 3.553101 
1 1 1   11    9   -2 o  447.768   2.8857 57909.68  746.261   0.0000   0.0000 57909.68  746.261  ?   ?   447.768   2.8857      ?      ? 
1 1 1   11   10   -2 o  521.837   2.7414 78852.63  778.954 79226.13  955.173 78111.02  1345.94  523.721   3.1579  519.953   4.4821 3.767700 5.482801 
1 1 1   11   11   -2 o  444.925   2.5943 57154.50  628.306 57282.39  1089.51 57090.77  769.071  445.270   4.2367  444.581   2.9952 0.6891479 5.188524 
1 1 1   11   12   -2 o  157.501   2.2396  7164.59  203.728   0.0000   0.0000  7164.59  203.728  ?   ?   157.501   2.2396      ?      ? 
1 1 1   11   13   -2 f  254.827   2.0126 18788.67  276.500 18845.52  335.731 18668.79  487.475  255.440   2.2757  254.215   3.3202 1.225327 4.025261 
1 1 1   11   14   -2 o  145.339   1.5348  6094.64  125.289  6127.62  202.565  6074.21  159.446  145.654   2.4080  145.023   1.9037 0.6304016 3.069593 
1 1 1   11   15   -2 o   79.751   3.5120  1837.58  161.763   0.0000   0.0000  1837.58  161.763  ?   ?    79.751   3.5120      ?      ? 
1 1 1   11   16   -2 f  125.782   1.7306  4562.04  124.942  4500.81  167.111  4639.66  188.144  124.829   2.3180  126.736   2.5704 -1.907310 3.461218 
1 1 1   11   17   -2 o  190.822   2.2381 10561.02  239.328 10350.79  386.707 10691.53  304.690  189.264   3.5378  192.379   2.7423 -3.114731 4.476154 
1 1 1   11   18   -2 o  109.237   2.2311  3454.26  140.325  3355.61  204.984  3541.26  192.503  107.763   3.2935  110.710   3.0107 -2.946663 4.462256 
1 1 1   11   19   -2 o   69.392   2.3963  1374.91   90.752  1442.11  158.239  1341.97  110.782   70.633   3.8790   68.152   2.8145 2.480522 4.792538 
1 1 1   11   20   -2 o  185.973   2.2293  9990.78  234.441 10015.19  371.662  9974.65  302.134  186.147   3.4571  185.798   2.8156 0.3489380 4.458581 
1 1 1   11   21   -2 o  349.612   2.3109 35330.74  466.560 35495.86  656.209 35161.95  663.481  350.441   3.2422  348.784   3.2937 1.657227 4.621754 
1 1 1   11   22   -2 o  157.956   2.0563  7207.90  187.588  7207.90  187.588   0.0000   0.0000  157.956   2.0563  ?   ?       ?      ? 
1 1 1   11   23   -2 o  182.115   1.6575  9629.33  166.291  9428.29  279.599  9739.37  206.852  180.619   2.6803  183.610   1.9507 -2.990280 3.314986 
1 1 1   11   24   -2 o  177.528   1.8035  9075.43  179.963  8967.09  228.833  9251.04  291.356  176.161   2.2492  178.895   2.8199 -2.734497 3.607068 
1 1 1   11   25   -2 o  139.288   1.7796  5613.91  139.345  5579.80  224.101  5635.41  177.922  138.928   2.7930  139.648   2.2060 -0.7199860 3.559127 
1 1 1   11   26   -2 o  144.159   2.0480  6015.45  169.987  5926.77  249.382  6092.42  232.320  143.158   3.0162  145.161   2.7711 -2.003418 4.095939 
1 1 1   11   27   -2 o   29.083   6.7373  239.047  130.900  210.764  192.641  263.309  178.418   28.141   9.7349   30.025   9.3166 -1.883976 13.47470 
1 1 1   11   28   -2 o  247.010   1.3956 17630.30  198.926 17671.02  287.553 17592.94  275.483  247.280   2.0135  246.740   1.9332 0.5395813 2.791263 
1 1 1   11   29   -2 o  101.238   2.1346  2965.26  124.274  2968.84  168.203  2960.95  184.412  101.314   2.8746  101.162   3.1564 0.1514664 4.269191 
1 1 1   11   30   -2 o   69.755   3.6770  1432.60  145.989  1592.61  198.293  1243.23  215.726   74.106   4.6330   65.403   5.7111 8.703232 7.354021 
1 1 1   11   31   -2 o  132.286   2.3924  5052.92  181.913  5187.67  272.366  4944.41  244.424  133.861   3.5230  130.710   3.2378 3.150253 4.784869 
1 1 1   11   32   -2 o  102.917   2.8912  3077.40  170.092  3015.66  258.370  3124.63  225.965  101.975   4.3870  103.859   3.7671 -1.883606 5.782446 
1 1 1   11   33   -2 o   72.301   3.5086  1511.61  146.050  1436.26  197.260  1603.05  217.282   70.325   4.8567   74.278   5.0650 -3.952927 7.017277 
1 1 1   11   34   -2 o  155.626   2.0454  7014.40  183.005  7060.79  247.731  6958.68  271.518  156.210   2.7459  155.042   3.0322 1.168076 4.090784 
1 1 1   11   35   -2 o   48.037   5.1076  671.682  141.702  671.682  141.702   0.0000   0.0000   48.037   5.1076  ?   ?       ?      ? 
1 1 1   11   36   -2 o  172.512   1.9113  8666.53  188.966  9110.97  256.099  8135.38  279.970  177.428   2.4992  167.596   2.8924 9.831451 3.822586 
1 1 1   11   37   -2 o  123.489   2.6119  4438.31  185.583  4896.44  263.161  3985.07  261.753  129.876   3.5084  117.101   3.8703 12.77477 5.223779 
1 1 1   11   38   -2 o  138.276   2.3326  5536.97  186.285   0.0000   0.0000  5536.97  186.285  ?   ?   138.276   2.3326      ?      ? 
1 1 1   11   39   -2 o  129.544   2.9714  4915.03  217.783  4973.42  282.071  4828.85  342.686  130.651   3.7382  128.437   4.6198 2.213623 5.942768 
1 1 1   11   40   -2 o   65.432   4.5775  1257.05  172.986   0.0000   0.0000  1257.05  172.986  ?   ?    65.432   4.5775      ?      ? 
1 1 1   11   41   -2 o   76.361   7.0808  1768.64  312.277   0.0000   0.0000  1768.64  312.277  ?   ?    76.361   7.0808      ?      ? 
1 1 1   11   42   -2 o   32.398   11.380  341.590  263.720   0.0000   0.0000  341.590  263.720  ?   ?    32.398   11.380      ?      ? 
1 1 1   11   43   -2 o   43.761   10.595  669.558  264.927   0.0000   0.0000  669.558  264.927  ?   ?    43.761   10.595      ?      ? 
1 1 1   11   44   -2 o   46.867   6.8387  688.188  185.107   0.0000   0.0000  688.188  185.107  ?   ?    46.867   6.8387      ?      ? 
1 1 1   11   45   -2 f   15.112   7.3153 -258.9019  196.095   0.0000   0.0000 -258.9019  196.095  ?   ?    15.112   7.3153      ?      ? 
1 1 1   11   46   -2 o   47.002   7.3939  716.072  200.714   0.0000   0.0000  716.072  200.714  ?   ?    47.002   7.3939      ?      ? 
1 1 1   11   47   -2 o   54.897   6.8878  975.130  218.381   0.0000   0.0000  975.130  218.381  ?   ?    54.897   6.8878      ?      ? 
1 1 1   11   48   -2 o   83.166   4.5609  2247.85  218.315  2397.10  305.390  2091.86  312.211   86.456   6.1161   79.877   6.7677 6.579239 9.121893 
1 1 1   11    0   -3 o   89.470   4.3829  2317.79  221.051  2511.34  346.746  2185.27  286.913   92.544   6.5633   86.396   5.8104 -0.000000 0.000000 
1 1 1   11    1   -3 o  315.099   1.7897 28851.90  265.231 28370.90  576.596 28980.99  298.710  313.411   3.1855  316.787   1.6327 -3.375549 3.579484 
1 1 1   11    2   -3 o  344.988   2.4734 34373.00  492.815 34373.00  492.815   0.0000   0.0000  344.988   2.4734  ?   ?       ?      ? 
1 1 1   11    3   -3 o  626.738   3.2417 114056.70  1105.90 111738.30  1906.71 115232.00  1357.58  621.869   5.3089  631.608   3.7216 -9.739380 6.483399 
1 1 1   11    4   -3 o  434.606   2.7316 54552.36  685.633   0.0000   0.0000 54552.36  685.633  ?   ?   434.606   2.7316      ?      ? 
1 1 1   11    5   -3 o  282.181   2.2912 22998.74  373.386 23270.21  528.998 22729.22  527.103  283.840   3.2270  280.521   3.2535 3.319275 4.582388 
1 1 1   11    6   -3 o  557.591   3.6932 89837.41  1189.29 90628.51  1681.84 89046.20  1681.96  560.048   5.1997  555.134   5.2461 4.913452 7.386315 
1 1 1   11    7   -3 o  304.068   2.2992 26722.26  403.467 25639.45  572.141 27793.40  569.049  297.935   3.3250  310.201   3.1763 -12.26578 4.598340 
1 1 1   11    8   -3 o  247.193   2.0335 17625.47  289.972 17202.87  398.656 18100.25  422.550  244.051   2.8283  250.334   2.9226 -6.282837 4.067092 
1 1 1   11    9   -3 o  243.011   2.1007 17054.49  294.702 17758.82  419.691 16369.42  413.913  247.960   2.9306  238.061   3.0105 9.898773 4.201379 
1 1 1   11   10   -3 o  194.986   2.2067 10965.48  248.165 10689.27  340.493 11278.48  362.451  192.372   3.0647  197.601   3.1760 -5.228973 4.413483 
1 1 1   11   11   -3 o  434.790   2.3258 54727.39  551.218 54242.46  950.505 54973.11  676.613  433.313   3.7981  436.267   2.6854 -2.954224 4.651540 
1 1 1   11   12   -3 o  309.284   2.4808 27632.91  443.117 27532.78  624.086 27734.71  629.269  308.719   3.5002  309.849   3.5164 -1.129456 4.961531 
1 1 1   11   13   -3 o  354.109   2.2026 36064.73  424.212 35758.78  517.894 36688.56  739.516  351.856   2.5485  356.362   3.5931 -4.505798 4.405164 
1 1 1   11   14   -3 o  133.393   1.9996  5173.17  142.904  5230.19  172.936  5050.39  253.753  134.568   2.2251  132.219   3.3230 2.348495 3.999208 
1 1 1   11   15   -3 o  349.419   2.6088 35277.56  526.450 35268.69  742.188 35286.54  746.859  349.376   3.6782  349.463   3.7004 -0.8718872E-01 5.217508 
1 1 1   11   16   -3 o  296.709   1.8417 25562.17  298.410 25023.64  511.078 25840.73  367.573  294.310   3.0068  299.108   2.1278 -4.798309 3.683487 
1 1 1   11   17   -3 o   70.624   3.2881  1438.38  125.871  1431.58  153.308  1452.44  220.486   70.383   3.7715   70.866   5.3872 -0.4831314 6.576143 
1 1 1   11   18   -3 o  272.730   2.1349 21480.00  336.014 21223.14  464.958 21760.79  486.141  271.027   2.9704  274.433   3.0672 -3.406647 4.269774 
1 1 1   11   19   -3 o  198.666   2.1134 11379.83  239.391 11254.03  313.591 11555.54  370.607  197.362   2.7511  199.970   3.2090 -2.607712 4.226842 
1 1 1   11   20   -3 o  174.616   2.1349  8807.97  215.301  8807.97  215.301   0.0000   0.0000  174.616   2.1349  ?   ?       ?      ? 
1 1 1   11   21   -3 o  271.046   2.1168 21219.15  330.905 21004.54  455.025 21460.04  482.087  269.597   2.9224  272.495   3.0632 -2.897430 4.233641 
1 1 1   11   22   -3 o   63.681   2.8095  1171.99  103.331  1171.99  103.331   0.0000   0.0000   63.681   2.8095  ?   ?       ?      ? 
1 1 1   11   23   -3 o  223.609   1.9810 14445.40  255.829 14445.40  255.829   0.0000   0.0000  223.609   1.9810  ?   ?       ?      ? 
1 1 1   11   24   -3 o   82.806   3.0741  1979.05  146.344  1926.70  196.641  2044.03  219.100   81.590   4.1730   84.022   4.5151 -2.431198 6.148184 
1 1 1   11   25   -3 o  118.792   2.0712  4074.65  141.446  4136.01  211.109  4024.66  190.538  119.596   3.0564  117.988   2.7961 1.607712 4.142440 
1 1 1   11   26   -3 o  160.802   1.9949  7474.00  185.099  7418.80  255.971  7534.50  267.981  160.184   2.7669  161.420   2.8745 -1.236206 3.989765 
1 1 1   11   27   -3 o   61.714   2.8183  1104.51   98.696  1094.25  154.328  1111.61  128.382   61.454   4.3482   61.973   3.5868 -0.5188484 5.636664 
1 1 1   11   28   -3 o   79.522   2.3210  1802.86  103.779  1945.00  169.872  1718.22  131.086   81.970   3.5882   77.074   2.9448 4.896538 4.641921 
1 1 1   11   29   -3 o  100.846   2.6795  2917.79  147.978  2861.11  181.489  3030.19  255.594   99.442   3.1601  102.251   4.3281 -2.809303 5.358971 
1 1 1   11   30   -3 o  154.404   1.7089  6925.36  133.451  6824.39  261.400  6960.96  155.201  153.596   2.9467  155.213   1.7313 -1.616974 3.417717 
1 1 1   11   31   -3 o   72.503   4.0599  1523.20  170.004   0.0000   0.0000  1523.20  170.004  ?   ?    72.503   4.0599      ?      ? 
1 1 1   11   32   -3 o  100.971   2.7985  2939.00  162.676  2769.59  219.585  3145.10  242.192   97.769   3.8888  104.174   4.0255 -6.404800 5.597073 
1 1 1   11   33   -3 o  177.932   1.8422  9188.54  180.795  9263.18  225.035  9052.65  303.639  178.999   2.1768  176.865   2.9726 2.134033 3.684348 
1 1 1   11   34   -3 o  140.600   1.8563  5720.33  148.485  5713.27  230.698  5725.31  194.014  140.503   2.8430  140.697   2.3876 -0.1936188 3.712569 
1 1 1   11   35   -3 f   92.716   2.5415  2498.02  129.079  2510.33  159.310  2474.48  220.231   93.109   2.9625   92.323   4.1303 0.7860947 5.082922 
1 1 1   11   36   -3 o   15.552   7.2638 -151.1329  161.269   0.0000   0.0000 -151.1329  161.269  ?   ?    15.552   7.2638      ?      ? 
1 1 1   11   37   -3 o  132.624   2.6364  4752.71  184.242  4297.30  215.389  5994.64  355.693  121.741   3.0634  143.507   4.2916 -21.76622 5.272753 
1 1 1   11   38   -3 o   77.592   3.3822  1749.14  151.568   0.0000   0.0000  1749.14  151.568  ?   ?    77.592   3.3822      ?      ? 
1 1 1   11   39   -3 o   86.813   3.2110  2191.10  160.996   0.0000   0.0000  2191.10  160.996  ?   ?    86.813   3.2110      ?      ? 
1 1 1   11   40   -3 o   45.197   10.606  666.202  272.096   0.0000   0.0000  666.202  272.096  ?   ?    45.197   10.606      ?      ? 
1 1 1   11   41   -3 f   62.711   7.5560  1202.40  273.666   0.0000   0.0000  1202.40  273.666  ?   ?    62.711   7.5560      ?      ? 
1 1 1   11   42   -3 o   33.796   11.491  383.836  268.125   0.0000   0.0000  383.836  268.125  ?   ?    33.796   11.491      ?      ? 
1 1 1   11   43   -3 o   40.719   8.7774  552.259  200.341   0.0000   0.0000  552.259  200.341  ?   ?    40.719   8.7774      ?      ? 
1 1 1   11   44   -3 o   58.488   6.4534  1063.53  217.989   0.0000   0.0000  1063.53  217.989  ?   ?    58.488   6.4534      ?      ? 
1 1 1   11   45   -3 o   12.607   6.3189 -502.5103  197.518   0.0000   0.0000 -502.5103  197.518  ?   ?    12.607   6.3189      ?      ? 
1 1 1   11   46   -3 o   15.740   7.6346 -279.3278  216.394   0.0000   0.0000 -279.3278  216.394  ?   ?    15.740   7.6346      ?      ? 
1 1 1   11   47   -3 o   66.386   5.3516  1366.39  205.185   0.0000   0.0000  1366.39  205.185  ?   ?    66.386   5.3516      ?      ? 
1 1 1   11   48   -3 o   20.387   9.0957   29.980  217.697   0.0000   0.0000   29.980  217.697  ?   ?    20.387   9.0957      ?      ? 
1 1 1   11    0   -4 o  218.225   2.1293 13650.37  267.163 12414.66  359.389 15176.73  399.426  207.268   3.0037  229.181   3.0189 -0.000000 0.000000 
1 1 1   11    1   -4 o  138.796   2.7147  5567.48  217.503  5712.69  305.686  5418.59  309.542  140.630   3.7637  136.961   3.9132 3.669388 5.429431 
1 1 1   11    2   -4 o  149.854   2.0138  6485.27  174.289   0.0000   0.0000  6485.27  174.289  ?   ?   149.854   2.0138      ?      ? 
1 1 1   11    3   -4 o  478.690   3.0919 66183.85  854.811 66183.85  854.811   0.0000   0.0000  478.690   3.0919  ?   ?       ?      ? 
1 1 1   11    4   -4 o  209.412   2.1814 12664.94  263.827 12664.94  263.827   0.0000   0.0000  209.412   2.1814  ?   ?       ?      ? 
1 1 1   11    5   -4 o  329.715   2.3831 31400.88  453.789 30984.95  640.628 31819.74  642.888  327.524   3.3867  331.907   3.3538 -4.383514 4.766299 
1 1 1   11    6   -4 o   47.896   5.9670  662.981  165.058   0.0000   0.0000  662.981  165.058  ?   ?    47.896   5.9670      ?      ? 
1 1 1   11    7   -4 o  110.391   2.5167  3528.96  160.048  3331.42  230.130  3714.00  222.735  107.391   3.7104  113.392   3.4011 -6.001808 5.033349 
1 1 1   11    8   -4 o  254.550   2.0821 18717.44  305.876 18773.51  424.978 18657.18  440.593  254.947   2.8862  254.154   3.0016 0.7933044 4.164139 
1 1 1   11    9   -4 o   65.747   3.0118  1231.44  113.053  1141.57  147.127  1360.99  176.655   62.861   4.0525   68.633   4.4566 -5.772621 6.023661 
1 1 1   11   10   -4 o  203.408   2.2195 11916.89  255.161 11787.17  327.767 12116.44  406.522  202.013   2.8093  204.804   3.4369 -2.790863 4.438946 
1 1 1   11   11   -4 o  213.840   2.1585 13210.22  265.301 13225.71  358.224 13191.39  394.826  213.982   2.8986  213.698   3.1990 0.2837372 4.316935 
1 1 1   11   12   -4 o  224.540   2.1839 14561.62  283.215   0.0000   0.0000 14561.62  283.215  ?   ?   224.540   2.1839      ?      ? 
1 1 1   11   13   -4 o  137.864   1.9454  5455.01  138.837  5411.67  163.112  5569.01  264.509  136.885   2.0632  138.844   3.2986 -1.959229 3.890701 
1 1 1   11   14   -4 o  118.638   2.5864  4040.98  164.466  3998.58  198.036  4135.24  295.254  117.653   2.9144  119.623   4.2736 -1.970390 5.172790 
1 1 1   11   15   -4 o  170.283   1.9075  8374.66  187.595   0.0000   0.0000  8374.66  187.595  ?   ?   170.283   1.9075      ?      ? 
1 1 1   11   16   -4 o  290.533   1.8110 24492.25  260.543 24596.23  299.715 24170.64  527.119  291.825   1.7783  289.241   3.1555 2.584320 3.622053 
1 1 1   11   17   -4 o  140.578   2.0327  5664.25  161.990  5939.06  257.484  5484.24  208.400  143.372   3.1096  137.784   2.6189 5.588348 4.065458 
1 1 1   11   18   -4 o  152.508   2.7172  6704.07  237.290  6861.97  361.813  6584.90  314.331  154.071   4.0661  150.945   3.6056 3.125885 5.434498 
1 1 1   11   19   -4 o  223.512   2.1437 14431.15  276.730   0.0000   0.0000 14431.15  276.730  ?   ?   223.512   2.1437      ?      ? 
1 1 1   11   20   -4 o  159.195   2.0085  7343.88  163.299  7278.56  315.568  7367.77  190.838  158.686   3.4433  159.704   2.0690 -1.018204 4.017075 
1 1 1   11   21   -4 o   60.625   2.9791  1065.36  104.060  1020.84  150.434  1106.20  144.096   59.404   4.3847   61.847   4.0341 -2.442017 5.958179 
1 1 1   11   22   -4 o  217.162   2.0364 13642.34  254.933 13409.33  370.179 13852.54  351.596  215.390   2.9758  218.933   2.7807 -3.543411 4.072753 
1 1 1   11   23   -4 o   64.198   2.8277  1190.15  104.683  1154.08  143.391  1231.32  153.183   63.160   3.9309   65.235   4.0658 -2.075291 5.655309 
1 1 1   11   24   -4 o  240.771   1.8188 16819.64  238.358 16561.28  411.496 16950.10  292.409  239.338   2.9769  242.204   2.0904 -2.866058 3.637553 
1 1 1   11   25   -4 o  192.023   1.7858 10652.96  198.045 10652.96  198.045   0.0000   0.0000  192.023   1.7858  ?   ?       ?      ? 
1 1 1   11   26   -4 o   76.212   2.7248  1711.88   99.842  1626.33  208.575  1737.31  113.718   74.901   4.8216   77.522   2.5399 -2.621437 5.449641 
1 1 1   11   27   -4 o   73.967   2.3174  1564.62   97.573  1687.66  153.737  1481.63  126.262   76.364   3.4858   71.570   3.0546 4.794693 4.634827 
1 1 1   11   28   -4 o  140.569   2.2985  5647.70  184.875  6218.23  285.934  5237.86  242.346  146.584   3.3775  134.555   3.1185 12.02904 4.597042 
1 1 1   11   29   -4 o   33.390   6.4409  335.373  119.707   0.0000   0.0000  335.373  119.707  ?   ?    33.390   6.4409      ?      ? 
1 1 1   11   30   -4 o  211.899   2.0578 12956.78  251.204 12570.70  341.405 13412.56  370.941  208.474   2.8355  215.324   2.9828 -6.849228 4.115510 
1 1 1   11   31   -4 o  196.761   1.6736 11226.21  185.277 11043.89  296.497 11343.01  237.317  195.420   2.6270  198.102   2.0742 -2.682816 3.347194 
1 1 1   11   32   -4 o  129.799   2.4246  4871.66  181.763   0.0000   0.0000  4871.66  181.763  ?   ?   129.799   2.4246      ?      ? 
1 1 1   11   33   -4 o   72.744   3.5198  1520.73  146.461  1424.34  191.953  1655.04  226.581   70.035   4.7456   75.452   5.1996 -5.416901 7.039627 
1 1 1   11   34   -4 o  102.591   2.8311  3031.07  167.088  2708.60  226.274  3417.77  247.785   96.627   4.0546  108.555   3.9522 -11.92738 5.662145 
1 1 1   11   35   -4 o  100.278   3.1679  2863.37  174.208  2741.99  212.956  3108.92  302.893   97.221   3.7927  103.335   5.0753 -6.113846 6.335819 
1 1 1   11   36   -4 o  107.949   2.5959  3373.53  161.843  3373.53  161.843   0.0000   0.0000  107.949   2.5959  ?   ?       ?      ? 
1 1 1   11   37   -4 o   83.639   2.7449  2032.33  131.861  2046.81  197.426  2020.66  177.172   83.879   4.0754   83.398   3.6783 0.4803925 5.489882 
1 1 1   11   38   -4 o   15.693   5.4952 -430.0530  148.216 -474.4732  174.936 -317.0380  279.034   12.021   6.0137   19.366   9.1990 -7.344669 10.99030 
1 1 1   11   39   -4 o   92.919   2.5925  2497.99  138.452  2342.83  185.038  2695.35  208.689   89.685   3.5724   96.152   3.7580 -6.467094 5.185008 
1 1 1   11   40   -4 o   47.349   5.4524  663.671  149.102   0.0000   0.0000  663.671  149.102  ?   ?    47.349   5.4524      ?      ? 
1 1 1   11   41   -4 o   62.261   4.2048  1140.49  151.199   0.0000   0.0000  1140.49  151.199  ?   ?    62.261   4.2048      ?      ? 
1 1 1   11   42   -4 o   55.496   6.5365  940.153  209.505   0.0000   0.0000  940.153  209.505  ?   ?    55.496   6.5365      ?      ? 
1 1 1   11   43   -4 o   91.857   4.0210  2500.32  213.318   0.0000   0.0000  2500.32  213.318  ?   ?    91.857   4.0210      ?      ? 
1 1 1   11   44   -4 o   63.445   6.1785  1245.46  226.395   0.0000   0.0000  1245.46  226.395  ?   ?    63.445   6.1785      ?      ? 
1 1 1   11   45   -4 o   16.095   7.6364 -173.0612  191.207   0.0000   0.0000 -173.0612  191.207  ?   ?    16.095   7.6364      ?      ? 
1 1 1   11   46   -4 o   61.955   5.9017  1197.10  211.173   0.0000   0.0000  1197.10  211.173  ?   ?    61.955   5.9017      ?      ? 
1 1 1   11   47   -4 o   47.517   7.1538  739.403  196.322   0.0000   0.0000  739.403  196.322  ?   ?    47.517   7.1538      ?      ? 
1 1 1   11   48   -4 o   39.893   9.0425  587.812  203.530   0.0000   0.0000  587.812  203.530  ?   ?    39.893   9.0425      ?      ? 
1 1 1   11    0   -5 o  462.045   2.9182 61674.43  778.569 61338.25  1099.68 62012.31  1102.45  460.782   4.1330  463.308   4.1208 -0.000000 0.000000 
1 1 1   11    1   -5 o  705.330   4.0989 143742.00  1669.56 141144.30  2345.16 146411.59  2377.39  698.869   5.8102  711.792   5.7831 -12.92334 8.197731 
1 1 1   11    2   -5 f  392.011   2.6114 44391.40  590.883 42398.30  831.302 46426.60  840.037  383.116   3.7570  400.907   3.6280 -17.79129 5.222809 
1 1 1   11    3   -5 o  278.255   2.1538 22357.46  345.910 22514.92  498.776 22211.56  480.137  279.198   3.0932  277.312   2.9979 1.885529 4.307559 
1 1 1   11    4   -5 o  321.593   2.0178 29971.81  356.015 29546.25  604.977 30197.25  440.332  319.831   3.2752  323.354   2.3578 -3.523132 4.035610 
1 1 1   11    5   -5 o  243.633   2.1646 17142.51  304.579   0.0000   0.0000 17142.51  304.579  ?   ?   243.633   2.1646      ?      ? 
1 1 1   11    6   -5 o  106.970   2.5765  3303.37  159.093  3362.31  229.486  3248.83  220.751  107.887   3.6830  106.052   3.6041 1.835526 5.153065 
1 1 1   11    7   -5 o  272.210   2.1525 21403.44  338.379 21201.21  479.088 21604.74  477.995  270.927   3.0618  273.494   3.0262 -2.566925 4.304914 
1 1 1   11    8   -5 o  139.597   2.4068  5647.38  192.486  5784.48  258.206  5475.89  288.788  141.513   3.1592  137.681   3.6318 3.832260 4.813592 
1 1 1   11    9   -5 o  208.999   1.7591 12633.54  202.820 12556.48  341.338 12675.59  252.162  208.501   2.8346  209.498   2.0841 -0.9973907 3.518285 
1 1 1   11   10   -5 o  269.367   1.9663 20830.60  280.877 21277.96  513.807 20639.93  335.434  271.405   3.2779  267.329   2.1726 4.076202 3.932526 
1 1 1   11   11   -5 o  636.109   3.7239 116950.50  1368.08 116803.50  1933.89 117097.80  1935.62  635.709   5.2673  636.510   5.2654 -0.8004761 7.447724 
1 1 1   11   12   -5 o  365.797   2.1298 38627.03  426.374 38574.08  524.781 38729.88  731.359  365.446   2.4864  366.147   3.4585 -0.7006226 4.259516 
1 1 1   11   13   -5 o  263.421   2.1541 20037.23  327.384 19878.38  451.962 20212.60  474.869  262.325   2.9832  264.517   3.1084 -2.192230 4.308289 
1 1 1   11   14   -5 o  348.702   2.3383 35130.49  470.587 35082.79  678.158 35174.79  653.546  348.470   3.3696  348.933   3.2430 -0.4627380 4.676689 
1 1 1   11   15   -5 o  287.712   1.8328 23822.26  262.951 23735.23  302.906 24088.41  529.714  286.672   1.8295  288.751   3.1764 -2.079559 3.665587 
1 1 1   11   16   -5 o  102.525   2.9391  3052.49  126.280  3059.05  137.533  3017.21  318.764  102.909   2.3140  102.140   5.4037 0.7695618 5.878290 
1 1 1   11   17   -5 o  113.335   1.9773  3711.36  128.721  3706.42  192.273  3715.36  173.283  113.263   2.9393  113.406   2.6457 -0.1419830 3.954616 
1 1 1   11   18   -5 o  193.897   2.2295 10872.08  249.404 10655.67  358.938 11074.09  346.796  192.027   3.2365  195.768   3.0672 -3.740753 4.458998 
1 1 1   11   19   -5 o  176.406   2.1580  9082.29  192.330  8807.26  375.853  9179.86  223.859  174.549   3.7283  178.264   2.1743 -3.715073 4.316047 
1 1 1   11   20   -5 o  297.140   1.5373 25501.54  263.580 25620.79  381.308 25392.41  364.760  297.802   2.2170  296.477   2.1303 1.325531 3.074572 
1 1 1   11   21   -5 o  191.418   2.3149 10579.70  253.153 10510.63  333.818 10673.19  388.366  190.698   3.0309  192.138   3.4998 -1.440781 4.629811 
1 1 1   11   22   -5 o  126.055   2.5180  4591.72  183.318  4591.72  183.318   0.0000   0.0000  126.055   2.5180  ?   ?       ?      ? 
1 1 1   11   23   -5 o  154.170   1.9817  6870.37  176.444  6907.09  249.430  6833.58  249.631  154.583   2.7938  153.757   2.8111 0.8256836 3.963314 
1 1 1   11   24   -5 o  275.478   2.1117 21928.03  333.387 21833.14  444.302 22050.29  504.345  274.817   2.7993  276.139   3.1624 -1.321777 4.223356 
1 1 1   11   25   -5 o  310.653   2.2574 27890.18  405.011   0.0000   0.0000 27890.18  405.011  ?   ?   310.653   2.2574      ?      ? 
1 1 1   11   26   -5 o  111.645   2.2673  3615.17  141.044  3569.55  231.573  3642.08  177.836  111.057   3.6104  112.232   2.7436 -1.175346 4.534560 
1 1 1   11   27   -5 o  242.971   1.7781 16972.11  239.663 16730.90  298.776 17407.41  401.363  240.601   2.1501  245.341   2.8326 -4.739822 3.556191 
1 1 1   11   28   -5 o  160.264   2.3991  7469.13  220.866  6988.72  322.872  7891.67  302.798  155.376   3.5980  165.154   3.1745 -9.777908 4.798263 
1 1 1   11   29   -5 o   79.488   4.1928  1830.89  192.481  1830.89  192.481   0.0000   0.0000   79.488   4.1928  ?   ?       ?      ? 
1 1 1   11   30   -5 o  130.462   2.7448  4922.49  206.814  4922.49  206.814   0.0000   0.0000  130.462   2.7448  ?   ?       ?      ? 
1 1 1   11   31   -5 o  111.967   2.4255  3651.27  128.236  3591.04  277.122  3667.68  144.655  111.294   4.3113  112.639   2.2236 -1.344826 4.850996 
1 1 1   11   32   -5 o  203.465   2.2642 11977.81  265.998 12201.12  381.503 11766.56  371.071  205.307   3.2174  201.622   3.1866 3.684708 4.528409 
1 1 1   11   33   -5 o  115.070   2.5321  3831.95  141.897  3844.07  295.134  3828.30  161.829  115.088   4.4402  115.053   2.4354 0.3504181E-01 5.064262 
1 1 1   11   34   -5 o   65.095   4.6620  1216.42  172.945  1375.84  272.797  1109.29  223.629   68.559   6.8895   61.631   6.2827 6.928387 9.324060 
1 1 1   11   35   -5 o   63.691   5.6126  1246.37  197.393  1515.53  265.181  911.899  295.603   71.962   6.3805   55.419   9.2355 16.54280 11.22522 
1 1 1   11   36   -5 o   78.764   5.1168  1809.65  232.760   0.0000   0.0000  1809.65  232.760  ?   ?    78.764   5.1168      ?      ? 
1 1 1   11   37   -5 o   57.604   4.9391  943.429  155.546  1093.87  275.413  872.968  188.485   60.680   7.8588   54.529   5.9850 6.150864 9.878288 
1 1 1   11   38   -5 o   36.287   7.1643  383.309  150.139  538.762  260.285  305.795  183.799   41.093   10.819   31.481   9.3948 9.611656 14.32858 
1 1 1   11   39   -5 o   11.935   5.9789 -484.9371  175.740   0.0000   0.0000 -484.9371  175.740  ?   ?    11.935   5.9789      ?      ? 
1 1 1   11   40   -5 f   92.058   4.1007  2483.62  218.021   0.0000   0.0000  2483.62  218.021  ?   ?    92.058   4.1007      ?      ? 
1 1 1   11   41   -5 o   13.023   6.5270 -565.8777  210.546   0.0000   0.0000 -565.8777  210.546  ?   ?    13.023   6.5270      ?      ? 
1 1 1   11   42   -5 f   58.114   6.3472  1029.76  213.032   0.0000   0.0000  1029.76  213.032  ?   ?    58.114   6.3472      ?      ? 
1 1 1   11   43   -5 o   66.810   3.4967  1315.22  134.925   0.0000   0.0000  1315.22  134.925  ?   ?    66.810   3.4967      ?      ? 
1 1 1   11   44   -5 o   60.283   4.4810  1089.68  156.013   0.0000   0.0000  1089.68  156.013  ?   ?    60.283   4.4810      ?      ? 
1 1 1   11   45   -5 o   52.901   5.4524  893.335  139.848  871.211  161.674  959.084  278.708   53.406   5.2416   52.396   9.5624 1.009964 10.90477 
1 1 1   11   46   -5 o   65.263   6.1722  1339.84  232.644   0.0000   0.0000  1339.84  232.644  ?   ?    65.263   6.1722      ?      ? 
1 1 1   11   47   -5 o   22.270   9.4637  103.659  212.411   0.0000   0.0000  103.659  212.411  ?   ?    22.270   9.4637      ?      ? 
1 1 1   11   48   -5 o   14.493   7.1319 -326.9488  209.894   0.0000   0.0000 -326.9488  209.894  ?   ?    14.493   7.1319      ?      ? 
1 1 1   11    0   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    1   -6 o  698.402   4.2168 141178.50  1696.85 152537.80  2401.49 129852.60  2397.95  726.521   5.7233  670.282   6.1944 56.23993 8.433644 
1 1 1   11    2   -6 o  892.172   5.2994 230202.80  2729.93 235215.41  3851.89 225144.09  3869.59  901.948   7.3945  882.397   7.5930 19.55090 10.59870 
1 1 1   11    3   -6 o  279.013   2.1205 22482.96  341.629 21828.91  480.567 23151.19  485.747  274.911   3.0268  283.116   2.9707 -8.205048 4.241032 
1 1 1   11    4   -6 o  179.421   2.0694  9168.06  211.643 10079.34  332.646  8548.28  274.331  186.805   3.0832  172.037   2.7610 14.76811 4.138783 
1 1 1   11    5   -6 o  284.422   2.1496 23346.01  352.955 24126.52  507.970 22617.42  490.781  289.015   3.0432  279.830   3.0367 9.184692 4.299182 
1 1 1   11    6   -6 o  209.234   2.0185 12643.37  243.917 12643.37  243.917   0.0000   0.0000  209.234   2.0185  ?   ?       ?      ? 
1 1 1   11    7   -6 o  128.157   2.2493  4755.55  166.065  4523.76  239.616  4969.79  230.361  125.144   3.3153  131.171   3.0408 -6.027428 4.498615 
1 1 1   11    8   -6 o  442.592   2.3488 56658.69  568.904 56350.80  973.997 56818.11  700.891  441.656   3.8185  443.527   2.7362 -1.871429 4.697587 
1 1 1   11    9   -6 o  208.030   2.2774 12498.97  273.626 12498.97  273.626   0.0000   0.0000  208.030   2.2774  ?   ?       ?      ? 
1 1 1   11   10   -6 o  200.382   2.0862 11596.65  241.435 11596.65  241.435   0.0000   0.0000  200.382   2.0862  ?   ?       ?      ? 
1 1 1   11   11   -6 o  628.430   3.8565 114153.50  1399.64 115514.70  1986.33 112811.20  1972.51  632.152   5.4406  624.708   5.4671 7.444214 7.712908 
1 1 1   11   12   -6 o  290.297   2.0089 24400.37  312.882 24186.83  556.322 24499.16  378.399  289.349   3.3290  291.244   2.2496 -1.894714 4.017860 
1 1 1   11   13   -6 o  149.722   2.3365  6474.76  202.038  6474.76  202.038   0.0000   0.0000  149.722   2.3365  ?   ?       ?      ? 
1 1 1   11   14   -6 o  323.800   2.2086 30273.82  411.183 30459.51  612.028 30121.05  555.129  324.698   3.2637  322.902   2.9767 1.796021 4.417286 
1 1 1   11   15   -6 o  264.805   1.8498 20320.50  266.481 20063.46  460.873 20449.59  326.614  263.527   3.0281  266.082   2.1254 -2.554688 3.699540 
1 1 1   11   16   -6 f  256.834   2.1934 19053.63  325.360   0.0000   0.0000 19053.63  325.360  ?   ?   256.834   2.1934      ?      ? 
1 1 1   11   17   -6 o  362.523   1.7708 37943.49  370.528 38587.67  535.013 37349.73  513.651  365.476   2.5347  359.570   2.4734 5.906799 3.541521 
1 1 1   11   18   -6 o  171.678   1.9857  8429.72  187.065  8246.73  229.787  8789.29  322.109  168.958   2.3548  174.399   3.1980 -5.440735 3.971438 
1 1 1   11   19   -6 o   46.096   5.1533  648.875  128.355  521.930  198.655  739.851  168.172   41.641   8.5466   50.550   5.7603 -8.909122 10.30659 
1 1 1   11   20   -6 o   94.528   1.8999  2564.80  102.961  2449.45  136.312  2718.04  157.110   92.072   2.5634   96.983   2.8049 -4.911125 3.799833 
1 1 1   11   21   -6 o  218.111   1.7584 13801.66  213.145 13540.74  351.574 13953.30  268.017  216.456   2.8123  219.767   2.1116 -3.311234 3.516812 
1 1 1   11   22   -6 o   11.426   3.9783 -268.3906   87.340 -320.4471  113.086 -191.4328  137.498   9.6019   4.8082   13.250   6.3394 -3.648419 7.956551 
1 1 1   11   23   -6 f   31.685   6.8347  302.820  121.397   0.0000   0.0000  302.820  121.397  ?   ?    31.685   6.8347      ?      ? 
1 1 1   11   24   -6 o   11.935   5.9221 -375.3007  155.733 -375.3007  155.733   0.0000   0.0000   11.935   5.9221  ?   ?       ?      ? 
1 1 1   11   25   -6 o  193.402   1.9141 10807.68  213.807   0.0000   0.0000 10807.68  213.807  ?   ?   193.402   1.9141      ?      ? 
1 1 1   11   26   -6 o  200.646   2.1103 11663.08  244.095 12063.84  338.931 11231.22  351.835  204.245   2.8733  197.048   3.0916 7.196686 4.220614 
1 1 1   11   27   -6 o   23.847   7.1702 -20.8760  178.266 -150.1916  254.012  104.629  250.242   21.036   9.5640   26.658   10.685 -5.622316 14.34031 
1 1 1   11   28   -6 o   83.164   3.8632  2012.66  185.094  1859.38  262.670  2163.83  260.865   79.993   5.6856   86.335   5.2317 -6.341827 7.726373 
1 1 1   11   29   -6 o   66.383   3.1305  1275.00  120.022   0.0000   0.0000  1275.00  120.022  ?   ?    66.383   3.1305      ?      ? 
1 1 1   11   30   -6 o  203.227   2.1030 11951.30  246.710 12049.09  344.177 11847.96  353.826  204.089   2.9200  202.365   3.0274 1.723740 4.206096 
1 1 1   11   31   -6 o  196.220   1.9514 11094.37  212.332 11288.08  355.199 10986.66  264.866  197.503   3.1140  194.937   2.3526 2.566483 3.902743 
1 1 1   11   32   -6 o   67.757   5.2648  1321.96  203.219  1049.76  270.908  1672.22  307.310   59.859   7.8362   75.655   7.0332 -15.79594 10.52962 
1 1 1   11   33   -6 o  148.819   2.6330  6420.09  224.690  6429.95  300.514  6407.58  338.361  148.981   3.4926  148.656   3.9410 0.3243561 5.265936 
1 1 1   11   34   -6 o  109.042   3.2538  3466.60  204.164  3636.88  281.643  3278.04  296.382  111.908   4.3577  106.175   4.8333 5.732887 6.507677 
1 1 1   11   35   -6 o   69.973   3.7048  1420.59  149.720   0.0000   0.0000  1420.59  149.720  ?   ?    69.973   3.7048      ?      ? 
1 1 1   11   36   -6 o   87.934   4.6515  2252.53  236.229   0.0000   0.0000  2252.53  236.229  ?   ?    87.934   4.6515      ?      ? 
1 1 1   11   37   -6 o   41.922   6.4557  517.862  156.304   0.0000   0.0000  517.862  156.304  ?   ?    41.922   6.4557      ?      ? 
1 1 1   11   38   -6 o   64.547   4.9772  1221.08  185.546   0.0000   0.0000  1221.08  185.546  ?   ?    64.547   4.9772      ?      ? 
1 1 1   11   39   -6 o   68.668   6.0811  1399.21  241.167   0.0000   0.0000  1399.21  241.167  ?   ?    68.668   6.0811      ?      ? 
1 1 1   11   40   -6 o   82.011   3.3005  1961.94  156.329   0.0000   0.0000  1961.94  156.329  ?   ?    82.011   3.3005      ?      ? 
1 1 1   11   41   -6 o   68.507   4.6808  1390.10  185.200   0.0000   0.0000  1390.10  185.200  ?   ?    68.507   4.6808      ?      ? 
1 1 1   11   42   -6 o   50.422   6.0498  773.126  176.174   0.0000   0.0000  773.126  176.174  ?   ?    50.422   6.0498      ?      ? 
1 1 1   11   43   -6 o   38.585   5.2702  502.154  111.132  597.760  145.240  367.125  172.607   44.284   5.6788   32.886   8.8799 11.39830 10.54048 
1 1 1   11   44   -6 o   74.456   4.4985  1664.21  193.441   0.0000   0.0000  1664.21  193.441  ?   ?    74.456   4.4985      ?      ? 
1 1 1   11   45   -6 o   17.884   5.6623 -16.4749  116.829   49.789  133.691 -230.5727  240.309   18.251   7.6163   17.517   8.3807 0.7339668 11.32452 
1 1 1   11   46   -6 o   19.408   5.9875   21.600  112.614  -6.0372  131.444   97.863  218.349   16.242   7.1664   22.574   9.5939 -6.331882 11.97502 
1 1 1   11   47   -6 o   43.426   8.4153  662.273  203.439   0.0000   0.0000  662.273  203.439  ?   ?    43.426   8.4153      ?      ? 
1 1 1   11    0   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    1   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    2   -7 o  269.767   2.1295 20885.41  330.602 23438.44  488.811 18732.97  448.828  284.865   2.9711  254.669   3.0515 30.19640 4.259022 
1 1 1   11    3   -7 o  351.546   2.3773 35688.71  482.477 34268.09  676.789 37156.79  687.999  344.433   3.4022  358.659   3.3214 -14.22607 4.754668 
1 1 1   11    4   -7 o  232.282   2.0972 15560.78  281.135 16261.60  406.972 14921.10  388.817  237.277   2.9698  227.287   2.9620 9.989975 4.194414 
1 1 1   11    5   -7 o  248.612   2.1641 17850.61  310.730 17850.61  310.730   0.0000   0.0000  248.612   2.1641  ?   ?       ?      ? 
1 1 1   11    6   -7 o  345.378   2.0648 34468.65  392.947 34407.36  663.736 34501.72  487.575  345.129   3.3299  345.627   2.4426 -0.4971619 4.129682 
1 1 1   11    7   -7 o  437.364   2.5503 55075.24  592.593 55727.12  1078.02 54792.96  709.388  439.181   4.2501  435.547   2.8201 3.633667 5.100600 
1 1 1   11    8   -7 o  244.603   2.1432 17280.43  302.751 17026.92  425.866 17539.46  430.480  242.790   3.0371  246.417   3.0248 -3.627319 4.286410 
1 1 1   11    9   -7 o  284.139   2.2102 23321.88  362.458 23303.52  522.095 23338.97  503.591  284.029   3.1827  284.248   3.0676 -0.2192383 4.420390 
1 1 1   11   10   -7 o  274.717   1.9302 21849.93  291.682 21631.52  493.431 21967.25  361.630  273.649   3.1221  275.786   2.2704 -2.137085 3.860358 
1 1 1   11   11   -7 o  342.190   2.4254 33797.02  478.073 34244.73  704.148 33414.16  651.154  344.285   3.5413  340.094   3.3151 4.191040 4.850838 
1 1 1   11   12   -7 o  149.067   1.8938  6452.01  141.835  6350.91  280.622  6486.70  164.376  148.268   3.2771  149.866   1.8991 -1.598267 3.787618 
1 1 1   11   13   -7 o  113.624   2.1404  3715.55  138.355  3650.08  179.954  3810.20  216.365  112.409   2.7719  114.840   3.2622 -2.431694 4.280795 
1 1 1   11   14   -7 o   75.069   3.5911  1613.17  139.942  1592.86  164.526  1666.31  266.127   74.243   3.8370   75.895   6.0715 -1.651611 7.182283 
1 1 1   11   15   -7 o  171.059   2.2797  8452.18  225.223   0.0000   0.0000  8452.18  225.223  ?   ?   171.059   2.2797      ?      ? 
1 1 1   11   16   -7 o  272.557   2.1201 21457.96  333.730   0.0000   0.0000 21457.96  333.730  ?   ?   272.557   2.1201      ?      ? 
1 1 1   11   17   -7 o  121.764   2.2409  4254.67  155.462  4459.99  242.926  4112.25  202.317  124.229   3.3858  119.299   2.9364 4.929855 4.481766 
1 1 1   11   18   -7 o  169.505   2.4331  8277.62  236.805  8543.93  356.989  8068.35  316.450  171.925   3.5953  167.085   3.2793 4.839783 4.866181 
1 1 1   11   19   -7 o  259.687   2.0641 19481.10  309.578 19481.10  309.578   0.0000   0.0000  259.687   2.0641  ?   ?       ?      ? 
1 1 1   11   20   -7 o  110.535   2.3588  3460.32  138.899  3352.21  165.635  3716.49  254.967  107.706   2.6627  113.363   3.8943 -5.657341 4.717569 
1 1 1   11   21   -7 o   51.065   4.8249  754.910  142.296  754.910  142.296   0.0000   0.0000   51.065   4.8249  ?   ?       ?      ? 
1 1 1   11   22   -7 o   65.755   4.6632  1258.92  142.288  1248.89  315.297  1261.48  159.447   65.487   8.3365   66.024   4.1815 -0.5372543 9.326379 
1 1 1   11   23   -7 o  184.711   1.8575  9867.28  198.044 10101.39  277.679  9624.92  282.536  186.946   2.5718  182.477   2.6809 4.469437 3.715042 
1 1 1   11   24   -7 o   89.932   1.9665  2321.44  101.613  2499.50  153.465  2182.44  135.594   92.977   2.8579   86.886   2.7021 6.091194 3.933074 
1 1 1   11   25   -7 o  221.087   2.0285 14133.52  258.995 14204.08  369.161 14065.12  363.453  221.628   2.8841  220.545   2.8534 1.083496 4.057072 
1 1 1   11   26   -7 f  182.519   2.0842  9223.31  205.930  8529.47  246.920 10808.46  373.218  171.767   2.4890  193.271   3.3436 -21.50352 4.168304 
1 1 1   11   27   -7 o   13.511   6.3621 -140.1908  128.069   0.0000   0.0000 -140.1908  128.069  ?   ?    13.511   6.3621      ?      ? 
1 1 1   11   28   -7 o  168.493   2.2084  7393.55  202.130 10858.99  371.640  5937.81  240.872  193.708   3.3219  143.277   2.9109 50.43179 4.416827 
1 1 1   11   29   -7 o  242.043   2.1470 16414.80  294.930 20028.00  473.655 14126.82  376.915  263.099   3.1171  220.987   2.9532 42.11259 4.293942 
1 1 1   11   30   -7 o   89.295   3.1386  2307.29  161.862   0.0000   0.0000  2307.29  161.862  ?   ?    89.295   3.1386      ?      ? 
1 1 1   11   31   -7 o  157.124   2.4018  7138.39  217.953   0.0000   0.0000  7138.39  217.953  ?   ?   157.124   2.4018      ?      ? 
1 1 1   11   32   -7 o   85.059   4.7686  2100.91  234.261   0.0000   0.0000  2100.91  234.261  ?   ?    85.059   4.7686      ?      ? 
1 1 1   11   33   -7 o   61.429   5.8563  1099.92  207.769   0.0000   0.0000  1099.92  207.769  ?   ?    61.429   5.8563      ?      ? 
1 1 1   11   34   -7 f  102.374   3.9944  3041.48  236.169   0.0000   0.0000  3041.48  236.169  ?   ?   102.374   3.9944      ?      ? 
1 1 1   11   35   -7 o   43.489   9.2488  582.948  225.151   0.0000   0.0000  582.948  225.151  ?   ?    43.489   9.2488      ?      ? 
1 1 1   11   36   -7 o  107.757   3.9541  3375.57  246.081   0.0000   0.0000  3375.57  246.081  ?   ?   107.757   3.9541      ?      ? 
1 1 1   11   37   -7 o   15.390   7.4917 -364.9638  213.388   0.0000   0.0000 -364.9638  213.388  ?   ?    15.390   7.4917      ?      ? 
1 1 1   11   38   -7 o   45.485   8.9672  647.080  227.192   0.0000   0.0000  647.080  227.192  ?   ?    45.485   8.9672      ?      ? 
1 1 1   11   39   -7 o   22.875   9.7048   35.628  222.758   0.0000   0.0000   35.628  222.758  ?   ?    22.875   9.7048      ?      ? 
1 1 1   11   40   -7 f   36.310   9.6652  430.579  206.270   0.0000   0.0000  430.579  206.270  ?   ?    36.310   9.6652      ?      ? 
1 1 1   11   41   -7 f   73.481   4.9350  1606.52  209.436   0.0000   0.0000  1606.52  209.436  ?   ?    73.481   4.9350      ?      ? 
1 1 1   11   42   -7 o   51.322   7.3693  823.536  218.431   0.0000   0.0000  823.536  218.431  ?   ?    51.322   7.3693      ?      ? 
1 1 1   11   43   -7 o   26.622   9.9074  218.579  203.671   0.0000   0.0000  218.579  203.671  ?   ?    26.622   9.9074      ?      ? 
1 1 1   11   44   -7 f   16.481   7.9116 -239.3848  218.180   0.0000   0.0000 -239.3848  218.180  ?   ?    16.481   7.9116      ?      ? 
1 1 1   11   45   -7 o   42.457   8.6610  619.921  205.180   0.0000   0.0000  619.921  205.180  ?   ?    42.457   8.6610      ?      ? 
1 1 1   11   46   -7 o   53.184   7.7951  939.851  239.434   0.0000   0.0000  939.851  239.434  ?   ?    53.184   7.7951      ?      ? 
1 1 1   11   47   -7 o   43.596   9.0492  689.804  220.386   0.0000   0.0000  689.804  220.386  ?   ?    43.596   9.0492      ?      ? 
1 1 1   11    0   -8 o   15.981   7.5136 -307.6845  220.849 -1025.0260  362.285  116.534  278.600   11.175   8.2134   20.787   12.584 -0.000000 0.000000 
1 1 1   11    1   -8 o   56.702   8.1540  965.938  257.852  944.995  369.092  985.904  360.379   56.059   11.775   57.345   11.283 -1.286396 16.30803 
1 1 1   11    2   -8 o   80.180   3.9951  1844.61  180.124  1801.03  228.602  1915.96  292.526   78.947   5.0137   81.412   6.2214 -2.465118 7.990189 
1 1 1   11    3   -8 o  146.611   2.4190  6269.37  150.066  6298.06  163.899  6120.62  373.215  147.674   1.9217  145.547   4.4399 2.126862 4.837911 
1 1 1   11    4   -8 o   57.357   5.5683  904.233  176.374  802.432  215.017  1113.61  308.365   52.677   7.0675   62.036   8.6067 -9.358284 11.13665 
1 1 1   11    5   -8 o  179.151   1.6893  9262.06  173.865  9343.47  260.069  9196.28  233.790  179.861   2.5036  178.442   2.2685 1.419464 3.378502 
1 1 1   11    6   -8 o  166.626   2.0263  8006.37  183.876  8058.85  318.886  7980.23  225.059  167.028   3.3057  166.224   2.3443 0.8032684 4.052578 
1 1 1   11    7   -8 o  181.365   1.5689  9502.66  163.956  9461.66  239.959  9538.57  224.545  180.997   2.2955  181.733   2.1394 -0.7361298 3.137888 
1 1 1   11    8   -8 o  275.658   2.2219 21946.53  353.737   0.0000   0.0000 21946.53  353.737  ?   ?   275.658   2.2219      ?      ? 
1 1 1   11    9   -8 o  167.406   1.6394  8097.93  158.132  8040.72  231.327  8148.11  216.658  166.850   2.4006  167.963   2.2334 -1.112778 3.278878 
1 1 1   11   10   -8 o  105.842   2.0719  3213.17  125.468  3078.88  165.035  3397.10  193.139  103.242   2.7678  108.442   3.0838 -5.200417 4.143734 
1 1 1   11   11   -8 o  158.961   1.9799  7236.12  161.795  7162.16  189.173  7437.60  312.243  157.473   2.0800  160.450   3.3695 -2.976501 3.959820 
1 1 1   11   12   -8 o   88.169   3.3764  2356.14  151.832  2010.19  282.186  2497.10  180.128   83.370   5.8605   92.968   3.3548 -9.597382 6.752822 
1 1 1   11   13   -8 o  165.074   1.6112  7854.76  153.301  8113.97  225.320  7631.35  209.179  167.603   2.3277  162.544   2.2282 5.059189 3.222330 
1 1 1   11   14   -8 o  270.099   2.1911 21072.26  341.796   0.0000   0.0000 21072.26  341.796  ?   ?   270.099   2.1911      ?      ? 
1 1 1   11   15   -8 o  206.233   2.0384 12259.03  238.823 12447.86  374.358 12129.43  310.129  207.561   3.1229  204.906   2.6206 2.654556 4.076770 
1 1 1   11   16   -8 o  180.136   2.0427  9376.48  212.498  9503.75  299.922  9248.19  301.117  181.365   2.8633  178.908   2.9142 2.456848 4.085493 
1 1 1   11   17   -8 o   60.925   4.6126  1071.96  120.734  1080.08  296.765  1070.35  132.167   60.999   8.4237   60.850   3.7608 0.1491547 9.225107 
1 1 1   11   18   -8 o  131.581   2.6393  5042.22  195.848  4827.96  309.094  5185.94  253.149  129.211   4.1420  133.951   3.2722 -4.740005 5.278588 
1 1 1   11   19   -8 o  105.794   2.7724  3245.61  168.924  3046.00  242.763  3432.99  235.206  102.625   4.0959  108.963   3.7375 -6.338356 5.544848 
1 1 1   11   20   -8 o  171.290   1.8885  8497.70  186.135  8233.42  272.808  8727.88  254.602  168.786   2.7986  173.793   2.5366 -5.006912 3.777045 
1 1 1   11   21   -8 o  ?   ?  -749.3197  123.327   0.0000   0.0000 -749.3197  123.327  ?   ?   ?   ?       ?      ? 
1 1 1   11   22   -8 o  332.649   2.4252 31978.78  465.935   0.0000   0.0000 31978.78  465.935  ?   ?   332.649   2.4252      ?      ? 
1 1 1   11   23   -8 o  226.212   2.0812 14786.35  271.908   0.0000   0.0000 14786.35  271.908  ?   ?   226.212   2.0812      ?      ? 
1 1 1   11   24   -8 f  155.932   2.4400  7028.13  219.738   0.0000   0.0000  7028.13  219.738  ?   ?   155.932   2.4400      ?      ? 
1 1 1   11   25   -8 o   73.742   3.0367  1647.68  112.785  1732.61  132.588  1425.33  214.522   77.400   2.9661   70.084   5.2999 7.316032 6.073441 
1 1 1   11   26   -8 o  264.226   2.0723 20176.86  316.234 20176.86  316.234   0.0000   0.0000  264.226   2.0723  ?   ?       ?      ? 
1 1 1   11   27   -8 o   62.727   5.1913  1222.67  175.477  1450.81  226.416  879.509  277.682   70.671   5.5473   54.782   8.7766 15.88909 10.38269 
1 1 1   11   28   -8 o  186.632   2.2633 10217.21  225.946 10457.59  274.011  9706.53  399.384  190.183   2.4947  183.081   3.7771 7.101608 4.526583 
1 1 1   11   29   -8 o  199.823   2.0253 11454.79  225.191 11204.80  281.399 11900.00  375.534  196.858   2.4750  202.788   3.2064 -5.929550 4.050560 
1 1 1   11   30   -8 o   41.057   7.8804  535.836  188.224  398.511  332.292  600.714  228.399   37.696   12.793   44.419   9.2056 -6.722572 15.76081 
1 1 1   11   31   -8 o  117.451   3.3393  3993.81  226.516   0.0000   0.0000  3993.81  226.516  ?   ?   117.451   3.3393      ?      ? 
1 1 1   11   32   -8 f  134.532   2.7262  5190.16  197.510  5401.17  352.760  5093.81  238.378  136.413   4.4775  132.650   3.1115 3.763321 5.452499 
1 1 1   11   33   -8 o  114.086   3.1611  3741.88  198.025  3902.89  340.374  3659.50  243.472  115.827   5.0882  112.346   3.7524 3.480598 6.322171 
1 1 1   11   34   -8 o   83.910   4.9069  2049.28  237.798   0.0000   0.0000  2049.28  237.798  ?   ?    83.910   4.9069      ?      ? 
1 1 1   11   35   -8 o  154.608   2.2771  6941.81  175.382  6906.98  352.159  6953.30  202.247  154.194   3.9545  155.022   2.2589 -0.8278656 4.554173 
1 1 1   11   36   -8 o  133.703   2.5443  5149.82  183.389  5312.66  326.118  5074.51  221.776  135.098   4.1796  132.307   2.9023 2.790787 5.088512 
1 1 1   11   37   -8 o  126.531   2.7266  4716.73  170.152  4554.45  343.771  4769.38  195.821  124.796   4.7696  128.265   2.6434 -3.468994 5.453156 
1 1 1   11   38   -8 o   40.576   7.1536  560.159  162.882  370.510  311.262  631.676  191.142   35.194   12.363   45.959   7.2012 -10.76492 14.30726 
1 1 1   11   39   -8 o   87.029   3.2886  2207.30  165.294   0.0000   0.0000  2207.30  165.294  ?   ?    87.029   3.2886      ?      ? 
1 1 1   11   40   -8 f   59.144   5.3177  1040.61  181.643   0.0000   0.0000  1040.61  181.643  ?   ?    59.144   5.3177      ?      ? 
1 1 1   11   41   -8 o   56.050   5.2062  939.944  168.533   0.0000   0.0000  939.944  168.533  ?   ?    56.050   5.2062      ?      ? 
1 1 1   11   42   -8 f   43.085   6.8835  595.112  155.324  533.162  183.937  749.076  289.971   40.300   8.1822   45.871   11.072 -5.571205 13.76705 
1 1 1   11   43   -8 o   61.688   4.4864  1139.96  159.837   0.0000   0.0000  1139.96  159.837  ?   ?    61.688   4.4864      ?      ? 
1 1 1   11   44   -8 o   51.169   6.9249  1135.66  150.480  1262.30  166.666  577.014  350.043   64.808   4.4528   37.530   13.115 27.27823 13.84986 
1 1 1   11   45   -8 o   21.460   6.3414   87.977  127.738   76.529  161.209  107.292  209.395   20.214   8.3934   22.705   9.5082 -2.490240 12.68290 
1 1 1   11   46   -8 o   67.679   3.5361  1437.90  131.595  1525.79  166.466  1291.45  214.874   71.203   4.0480   64.156   5.7991 7.047615 7.072224 
1 1 1   11   47   -8 o   28.100   10.028  302.645  205.543   0.0000   0.0000  302.645  205.543  ?   ?    28.100   10.028      ?      ? 
1 1 1   11    0   -9 o  133.818   4.9802  5194.42  383.688  5194.42  383.688   0.0000   0.0000  133.818   4.9802  133.818   4.9802 -0.000000 0.000000 
1 1 1   11    1   -9 o  150.684   2.9595  6526.44  254.109  6761.31  395.997  6362.03  331.319  152.971   4.4822  148.397   3.8658 4.574387 5.919013 
1 1 1   11    2   -9 o  209.490   2.3790 12675.18  287.837 12675.18  287.837   0.0000   0.0000  209.490   2.3790  ?   ?       ?      ? 
1 1 1   11    3   -9 o  185.026   1.6152  9874.37  171.741  9759.30  230.991 10016.60  256.815  183.824   2.1757  186.228   2.3877 -2.404694 3.230360 
1 1 1   11    4   -9 o  263.231   1.9303 20039.92  276.866 19934.61  478.221 20093.01  339.560  262.700   3.1520  263.762   2.2291 -1.061829 3.860527 
1 1 1   11    5   -9 o  295.732   1.9626 25243.17  315.609 25315.79  548.525 25207.24  385.884  296.038   3.2082  295.427   2.2616 0.6111145 3.925257 
1 1 1   11    6   -9 f  301.812   1.4942 26245.28  254.512 26015.32  326.215 26603.02  406.874  300.132   1.8819  303.493   2.3213 -3.361847 2.988311 
1 1 1   11    7   -9 o  296.112   2.2843 25329.39  390.652 25423.11  552.710 25235.83  552.220  296.660   3.2259  295.565   3.2350 1.095001 4.568565 
1 1 1   11    8   -9 o  191.517   1.8811 10558.41  201.626 10739.60  329.937 10450.42  254.723  192.818   2.9628  190.216   2.3187 2.601807 3.762212 
1 1 1   11    9   -9 o  158.515   2.2397  7170.23  184.815  7057.53  217.504  7462.93  350.527  156.315   2.4093  160.715   3.7764 -4.400238 4.479492 
1 1 1   11   10   -9 o   98.948   3.2736  2878.63  164.771  2726.31  316.639  2935.20  192.954   97.100   5.6462  100.796   3.3146 -3.695305 6.547245 
1 1 1   11   11   -9 o  258.941   1.8288 19568.83  232.848 18985.81  473.913 19754.37  267.343  256.352   3.2009  261.531   1.7699 -5.179199 3.657691 
1 1 1   11   12   -9 f  112.706   3.0010  3669.83  195.342   0.0000   0.0000  3669.83  195.342  ?   ?   112.706   3.0010      ?      ? 
1 1 1   11   13   -9 o  202.370   1.9913 11803.33  213.444 11761.45  255.015 11901.29  390.046  201.789   2.1882  202.951   3.3277 -1.161774 3.982654 
1 1 1   11   14   -9 o  422.629   2.5990 51635.95  633.836 52026.43  880.325 51215.62  913.347  424.296   3.5924  420.962   3.7567 3.334229 5.197927 
1 1 1   11   15   -9 o  215.878   2.0737 13450.36  257.791 13276.03  350.405 13656.04  380.608  214.360   2.8304  217.398   3.0314 -3.037918 4.147306 
1 1 1   11   16   -9 f  186.152   1.5117 10009.37  160.120 10006.58  209.213 10013.31  248.781  186.126   1.9462  186.178   2.3137 -0.5206299E-01 3.023415 
1 1 1   11   17   -9 o  220.350   1.9302 13982.79  232.667 14174.53  400.532 13885.15  285.838  221.465   3.1315  219.234   2.2575 2.230835 3.860351 
1 1 1   11   18   -9 o  214.989   2.2348 13351.01  277.198 13531.11  402.297 13188.22  382.488  216.365   3.2194  213.613   3.1003 2.751770 4.469501 
1 1 1   11   19   -9 o   90.891   3.0753  2209.06  108.873  2643.70  314.036  2149.69  116.072   95.526   5.6921   86.256   2.3300 9.269775 6.150504 
1 1 1   11   20   -9 o  110.617   2.2010  3523.51  140.306  3749.11  206.979  3331.71  190.848  113.879   3.1470  107.356   3.0781 6.523590 4.402045 
1 1 1   11   21   -9 o   64.762   2.4038  1213.06   89.617  1214.96  121.969  1210.84  132.115   64.821   3.2580   64.703   3.5354 0.1178284 4.807668 
1 1 1   11   22   -9 o  255.916   1.8250 18921.35  269.747   0.0000   0.0000 18921.35  269.747  ?   ?   255.916   1.8250      ?      ? 
1 1 1   11   23   -9 o  264.601   2.1659 20255.99  330.690 20467.89  459.491 20028.29  476.296  266.046   2.9904  263.156   3.1339 2.890472 4.331710 
1 1 1   11   24   -9 o  239.014   2.2344 16527.34  308.389 16280.25  437.618 16771.09  434.654  237.234   3.1940  240.793   3.1255 -3.558487 4.468781 
1 1 1   11   25   -9 o  116.954   2.0988  3963.33  135.862  3981.38  169.673  3931.08  226.805  117.353   2.5034  116.555   3.3693 0.7972565 4.197505 
1 1 1   11   26   -9 o  146.476   3.0024  6201.37  252.976  6384.41  377.193  6051.71  341.055  148.417   4.4004  144.535   4.0857 3.882233 6.004711 
1 1 1   11   27   -9 o  100.696   3.7965  2936.32  220.789   0.0000   0.0000  2936.32  220.789  ?   ?   100.696   3.7965      ?      ? 
1 1 1   11   28   -9 o  109.987   2.8719  3499.04  182.430   0.0000   0.0000  3499.04  182.430  ?   ?   109.987   2.8719      ?      ? 
1 1 1   11   29   -9 o  142.540   3.0598  5932.14  248.064  5628.86  380.178  6156.99  327.350  139.291   4.7258  145.788   3.8878 -6.497238 6.119507 
1 1 1   11   30   -9 o  135.564   3.1263  5271.66  242.606  5756.62  374.176  4919.92  318.664  140.860   4.5994  130.268   4.2356 10.59209 6.252563 
1 1 1   11   31   -9 o  134.506   3.0891  5295.81  231.391  5435.59  293.076  5064.48  377.031  136.970   3.7048  132.041   4.9440 4.928848 6.178125 
1 1 1   11   32   -9 o  103.832   3.0847  3121.25  184.984   0.0000   0.0000  3121.25  184.984  ?   ?   103.832   3.0847      ?      ? 
1 1 1   11   33   -9 o  217.989   2.4615 13785.23  309.594 14383.39  435.696 13175.20  440.001  222.792   3.3861  213.187   3.5736 9.604416 4.923046 
1 1 1   11   34   -9 o  236.465   2.3900 16222.45  326.175 16641.50  456.889 15786.88  465.803  239.603   3.3017  233.327   3.4566 6.276047 4.780087 
1 1 1   11   35   -9 o  133.249   3.1323  5147.94  241.052   0.0000   0.0000  5147.94  241.052  ?   ?   133.249   3.1323      ?      ? 
1 1 1   11   36   -9 o  156.145   2.7270  7066.49  245.923   0.0000   0.0000  7066.49  245.923  ?   ?   156.145   2.7270      ?      ? 
1 1 1   11   37   -9 o   31.772   7.8313  288.776  167.938  269.857  306.405  296.900  200.782   32.321   12.127   31.223   9.9116 1.097670 15.66252 
1 1 1   11   38   -9 o   55.388   5.8517  954.650  165.066  909.956  299.202  974.204  197.909   53.450   10.062   57.325   5.9777 -3.874527 11.70336 
1 1 1   11   39   -9 o   25.818   10.311  135.872  232.075   0.0000   0.0000  135.872  232.075  ?   ?    25.818   10.311      ?      ? 
1 1 1   11   40   -9 o   46.462   6.2388  624.302  157.254  935.080  279.523  480.398  190.209   54.471   8.8852   38.453   8.7603 16.01771 12.47760 
1 1 1   11   41   -9 o   31.807   9.4958  338.628  187.747   0.0000   0.0000  338.628  187.747  ?   ?    31.807   9.4958      ?      ? 
1 1 1   11   42   -9 o   88.336   3.7171  2283.73  184.683  2048.21  231.727  2693.80  305.769   82.581   4.8586   94.090   5.6269 -11.50848 7.434187 
1 1 1   11   43   -9 o   32.014   6.6228  371.923  134.935  247.846  221.925  444.697  169.960   27.700   10.335   36.329   8.2842 -8.629187 13.24559 
1 1 1   11   44   -9 o   60.678   4.6353  1111.55  162.439   0.0000   0.0000  1111.55  162.439  ?   ?    60.678   4.6353      ?      ? 
1 1 1   11   45   -9 f   26.264   7.7369  160.088  173.076   99.963  200.785  333.948  341.431   22.163   9.2976   30.364   12.369 -8.200933 15.47375 
1 1 1   11   46   -9 o   57.659   6.9639  1085.31  231.903   0.0000   0.0000  1085.31  231.903  ?   ?    57.659   6.9639      ?      ? 
1 1 1   11   47   -9 o   44.705   5.8208  677.524  144.834  543.357  185.105  889.339  232.581   38.721   8.5095   50.689   7.9446 -11.96856 11.64164 
1 1 1   11    0  -10 o  321.223   2.2797 29809.54  422.816 30183.04  599.866 29440.77  596.056  323.224   3.2141  319.222   3.2338 -0.000000 0.000000 
1 1 1   11    1  -10 o  154.198   2.2662  6899.51  183.341  6794.00  338.539  6943.31  218.092  153.349   3.8225  155.047   2.4355 -1.697876 4.532425 
1 1 1   11    2  -10 o  119.273   2.5325  4152.21  158.232  4008.76  291.454  4212.17  188.418  117.786   4.2844  120.760   2.7016 -2.973396 5.065023 
1 1 1   11    3  -10 o  258.784   1.9386 19406.40  281.016 19083.80  454.969 19605.38  357.323  257.031   3.0649  260.537   2.3747 -3.505249 3.877182 
1 1 1   11    4  -10 f  237.977   2.0564 16328.52  261.557 16439.00  470.149 16279.00  314.763  238.546   3.4125  237.409   2.2956 1.137512 4.112828 
1 1 1   11    5  -10 o  250.344   2.2983 18102.58  332.138 18034.46  462.134 18175.36  477.679  249.859   3.2025  250.830   3.2974 -0.9714508 4.596601 
1 1 1   11    6  -10 o  229.843   1.5667 15271.26  207.660 15534.48  287.457 14983.97  300.315  231.917   2.1461  227.769   2.2830 4.148911 3.133326 
1 1 1   11    7  -10 o   72.352   3.5906  1511.69  149.771  1389.39  208.429  1642.27  215.358   69.327   5.2056   75.377   4.9470 -6.049347 7.181262 
1 1 1   11    8  -10 o   82.638   3.0560  1910.79  120.547  2085.88  263.344  1864.38  135.586   84.939   5.3682   80.336   2.9222 4.602768 6.112051 
1 1 1   11    9  -10 o  174.663   2.1487  8792.42  202.406  8871.12  357.961  8755.43  245.404  175.223   3.5372  174.102   2.4406 1.121155 4.297452 
1 1 1   11   10  -10 o   73.982   2.8124  1581.15  120.167   0.0000   0.0000  1581.15  120.167  ?   ?    73.982   2.8124      ?      ? 
1 1 1   11   11  -10 o   42.337   5.4397  538.104  127.360  475.369  195.139  584.659  168.100   39.726   8.7424   44.948   6.4755 -5.222260 10.87936 
1 1 1   11   12  -10 o  279.704   1.5918 22604.78  256.477 22691.38  350.735 22505.25  376.011  280.283   2.1667  279.125   2.3325 1.157623 3.183544 
1 1 1   11   13  -10 o  286.465   2.3020 23712.89  380.833 23445.82  538.425 23980.27  538.734  284.849   3.2728  288.080   3.2380 -3.230286 4.603923 
1 1 1   11   14  -10 o   77.126   3.3716  1782.44  139.669  1542.35  238.452  1907.84  172.323   73.005   5.6554   81.246   3.6725 -8.240097 6.743162 
1 1 1   11   15  -10 o  502.411   2.2218 72951.75  644.492 73307.83  901.486 72579.48  921.750  503.670   3.0990  501.152   3.1846 2.518127 4.443635 
1 1 1   11   16  -10 o  339.163   2.0954 33375.52  384.495 32856.43  671.723 33628.49  468.911  337.152   3.4497  341.175   2.3797 -4.023560 4.190876 
1 1 1   11   17  -10 o  191.262   2.1076 10567.82  232.807   0.0000   0.0000 10567.82  232.807  ?   ?   191.262   2.1076      ?      ? 
1 1 1   11   18  -10 o  136.011   1.5848  5343.30  124.486   0.0000   0.0000  5343.30  124.486  ?   ?   136.011   1.5848      ?      ? 
1 1 1   11   19  -10 o  160.326   2.0437  7406.68  161.829  7473.75  330.443  7385.51  185.612  160.764   3.5590  159.888   2.0100 0.8758698 4.087347 
1 1 1   11   20  -10 o   79.788   3.9306  1841.87  181.129   0.0000   0.0000  1841.87  181.129  ?   ?    79.788   3.9306      ?      ? 
1 1 1   11   21  -10 o  266.311   2.2387 20494.22  344.333   0.0000   0.0000 20494.22  344.333  ?   ?   266.311   2.2387      ?      ? 
1 1 1   11   22  -10 o  151.553   2.3083  6637.95  202.039   0.0000   0.0000  6637.95  202.039  ?   ?   151.553   2.3083      ?      ? 
1 1 1   11   23  -10 o  149.445   2.2049  6454.60  190.304   0.0000   0.0000  6454.60  190.304  ?   ?   149.445   2.2049      ?      ? 
1 1 1   11   24  -10 o  392.376   2.7779 44519.98  629.503   0.0000   0.0000 44519.98  629.503  ?   ?   392.376   2.7779      ?      ? 
1 1 1   11   25  -10 o  246.128   1.7808 17503.95  253.145   0.0000   0.0000 17503.95  253.145  ?   ?   246.128   1.7808      ?      ? 
1 1 1   11   26  -10 o  254.418   1.9861 18800.54  283.215 18383.26  457.105 19060.54  360.815  252.069   3.1399  256.768   2.4331 -4.699173 3.972242 
1 1 1   11   27  -10 o   71.102   4.0678  1468.45  160.387  1472.90  267.249  1465.94  200.510   71.121   6.5063   71.082   4.8842 0.3929138E-01 8.135524 
1 1 1   11   28  -10 o  325.375   2.4561 30681.45  460.685 31286.74  636.255 30014.42  667.912  328.780   3.3507  321.970   3.5919 6.809387 4.912112 
1 1 1   11   29  -10 o  111.639   3.1061  3699.58  186.039  3860.03  227.488  3375.60  323.259  115.471   3.4111  107.806   5.1919 7.665718 6.212190 
1 1 1   11   30  -10 o  129.226   3.1380  4833.33  234.200  4833.33  234.200   0.0000   0.0000  129.226   3.1380  ?   ?       ?      ? 
1 1 1   11   31  -10 o  145.964   2.7929  6243.48  209.593  6029.72  397.886  6325.58  246.577  144.082   4.7815  147.847   2.8877 -3.764526 5.585832 
1 1 1   11   32  -10 o   90.969   4.4278  2403.05  232.632   0.0000   0.0000  2403.05  232.632  ?   ?    90.969   4.4278      ?      ? 
1 1 1   11   33  -10 o  114.624   3.7219  3891.70  240.169  3505.16  373.354  4164.56  313.686  109.556   5.9006  119.691   4.5378 -10.13446 7.443739 
1 1 1   11   34  -10 o  111.543   3.5719  3681.45  222.548  3862.51  285.088  3398.99  356.078  115.256   4.2828  107.830   5.7177 7.425606 7.143852 
1 1 1   11   35  -10 o  184.900   2.3324  9938.64  246.939 10065.13  329.587  9776.75  372.849  186.305   3.0631  183.495   3.5182 2.810394 4.664810 
1 1 1   11   36  -10 o   89.627   4.2753  2409.66  215.329  2140.79  334.413  2600.09  281.437   85.043   6.8086   94.211   5.1724 -9.167786 8.550525 
1 1 1   11   37  -10 f   32.106   10.566  312.964  226.935   0.0000   0.0000  312.964  226.935  ?   ?    32.106   10.566      ?      ? 
1 1 1   11   38  -10 o   67.383   4.6542  1406.01  143.279  1273.95  313.991  1440.74  161.020   64.582   8.4182   70.185   3.9724 -5.602310 9.308356 
1 1 1   11   39  -10 o   42.857   8.7448  633.482  228.356  616.753  334.621  648.064  312.411   42.222   12.694   43.491   12.032 -1.269283 17.48967 
1 1 1   11   40  -10 o   53.895   6.2071  879.669  193.208   0.0000   0.0000  879.669  193.208  ?   ?    53.895   6.2071      ?      ? 
1 1 1   11   41  -10 o   14.227   6.9607 -324.1773  191.114   0.0000   0.0000 -324.1773  191.114  ?   ?    14.227   6.9607      ?      ? 
1 1 1   11   42  -10 f   74.485   3.6135  1656.14  153.064  1796.27  241.937  1562.61  197.647   76.850   5.4509   72.121   4.7451 4.729446 7.226941 
1 1 1   11   43  -10 o   38.309   7.1689  499.493  160.369  709.992  259.696  369.745  203.888   44.427   10.319   32.191   9.9547 12.23613 14.33779 
1 1 1   11   44  -10 o   21.443   9.3529   43.463  218.151   0.0000   0.0000   43.463  218.151  ?   ?    21.443   9.3529      ?      ? 
1 1 1   11   45  -10 o   36.542   7.0532  492.848  152.315  551.115  229.803  447.195  203.415   38.303   10.205   34.781   9.7395 3.522011 14.10636 
1 1 1   11   46  -10 o   50.949   6.8161  955.830  189.752  970.667  242.200  932.249  305.335   53.506   7.8376   48.392   11.154 5.114662 13.63211 
1 1 1   11    0  -11 o   60.998   6.4354  1245.83  151.739  1309.90  170.005  994.830  336.491   66.899   4.4451   55.098   12.079 -0.000000 0.000000 
1 1 1   11    1  -11 f  297.715   1.8620 25675.70  284.048 25762.60  332.581 25441.43  546.083  298.667   1.9281  296.764   3.1861 1.903076 3.724089 
1 1 1   11    2  -11 o  109.563   2.7716  3591.12  154.552  3206.14  292.021  3740.92  182.155  105.324   4.8007  113.802   2.7715 -8.478180 5.543241 
1 1 1   11    3  -11 o  206.544   1.9692 12364.36  222.312 12193.76  380.765 12452.59  273.831  205.450   3.2090  207.639   2.2834 -2.189316 3.938481 
1 1 1   11    4  -11 o  210.273   1.7291 12769.25  209.740 12807.94  304.296 12734.23  289.491  210.576   2.5021  209.971   2.3872 0.6045074 3.458207 
1 1 1   11    5  -11 o  249.680   2.4180 18010.79  348.673 18051.59  492.652 17969.85  493.546  249.964   3.4125  249.397   3.4265 0.5670471 4.835945 
1 1 1   11    6  -11 o  142.037   2.0295  5828.23  166.406  5595.80  234.323  6064.71  236.359  139.179   2.9151  144.895   2.8244 -5.715744 4.058982 
1 1 1   11    7  -11 o  519.906   3.3584 78095.07  1008.43   0.0000   0.0000 78095.07  1008.43  ?   ?   519.906   3.3584      ?      ? 
1 1 1   11    8  -11 o  309.228   2.2247 27624.96  397.171 27658.74  569.760 27593.03  553.942  309.410   3.1884  309.047   3.1035 0.3639526 4.449461 
1 1 1   11    9  -11 o   83.065   3.0150  1994.67  144.337  1987.83  210.900  2000.69  197.959   82.928   4.4034   83.201   4.1197 -0.2728958 6.030074 
1 1 1   11   10  -11 o  134.105   3.0543  5204.32  233.867  5237.67  308.855  5159.51  358.048  134.620   3.9725  133.591   4.6407 1.028778 6.108698 
1 1 1   11   11  -11 o  373.061   2.3434 40410.41  473.044 39653.88  825.521 40780.27  577.208  370.407   3.8589  375.715   2.6600 -5.308441 4.686892 
1 1 1   11   12  -11 o  276.397   2.1768 22067.35  346.845 22179.37  506.797 21968.65  475.703  277.052   3.1673  275.742   2.9871 1.309723 4.353667 
1 1 1   11   13  -11 o  246.107   1.8176 17440.49  247.427 17299.04  307.761 17699.01  416.064  244.717   2.1775  247.498   2.9107 -2.781464 3.635115 
1 1 1   11   14  -11 o  416.485   2.4782 50100.52  564.018 50026.46  693.086 50245.72  970.477  416.091   2.8841  416.879   4.0308 -0.7882690 4.956351 
1 1 1   11   15  -11 o  ?   ?  -1101.2371  159.376 -1030.0330  187.446 -1287.0179  302.778  ?   ?   ?   ?       ?      ? 
1 1 1   11   16  -11 o  283.464   1.8582 23140.80  263.342 23371.59  528.279 23064.48  303.775  284.357   3.2167  282.570   1.8614 1.787018 3.716470 
1 1 1   11   17  -11 o   46.203   5.9511  695.957  139.772  480.431  245.030  799.912  170.174   39.857   10.499   52.549   5.6071 -12.69249 11.90214 
1 1 1   11   18  -11 o  116.251   1.9356  3937.03  128.116  4115.56  169.861  3701.46  195.122  119.342   2.4644  113.161   2.9855 6.180679 3.871285 
1 1 1   11   19  -11 o   96.438   2.1674  2669.77  117.124  2612.71  147.877  2765.83  191.859   95.077   2.6930   97.798   3.3968 -2.721062 4.334785 
1 1 1   11   20  -11 o  186.182   1.8203 10031.37  191.874  9955.07  302.321 10082.83  248.289  185.572   2.8208  186.792   2.3015 -1.220490 3.640583 
1 1 1   11   21  -11 o   22.008   6.6349 -15.9693  152.771   75.929  204.005 -133.3081  230.520   23.871   9.6195   20.145   9.1406 3.725849 13.26972 
1 1 1   11   22  -11 f  132.124   1.5788  5042.44  120.432  4950.39  167.561  5140.79  173.213  130.879   2.2168  133.370   2.2487 -2.491608 3.157657 
1 1 1   11   23  -11 o   79.568   2.2587  1882.64   97.536  1995.26  121.094  1674.64  164.576   83.077   2.5238   76.059   3.7465 7.017860 4.517324 
1 1 1   11   24  -11 o  180.859   2.1414  9506.43  213.830  9616.64  266.704  9308.10  357.777  182.380   2.5320  179.339   3.4542 3.041000 4.282869 
1 1 1   11   25  -11 o  221.330   2.2640 14173.85  289.398 14123.97  408.623 14224.04  409.921  220.939   3.2023  221.721   3.2012 -0.7814484 4.527948 
1 1 1   11   26  -11 o  126.881   2.4564  4654.38  180.001   0.0000   0.0000  4654.38  180.001  ?   ?   126.881   2.4564      ?      ? 
1 1 1   11   27  -11 o  122.461   3.2018  4339.55  226.449   0.0000   0.0000  4339.55  226.449  ?   ?   122.461   3.2018      ?      ? 
1 1 1   11   28  -11 o   79.350   5.6844  1952.22  244.467  1426.70  384.238  2309.62  316.875   69.623   9.5557   89.077   6.1594 -19.45366 11.36877 
1 1 1   11   29  -11 o  258.875   2.3756 19361.67  354.787 20264.12  516.865 18557.61  487.878  264.562   3.3827  253.186   3.3365 11.37598 4.751272 
1 1 1   11   30  -11 o  231.588   2.4776 15413.73  329.597 16667.88  498.624 14440.50  439.244  239.870   3.5993  223.305   3.4058 16.56490 4.955222 
1 1 1   11   31  -11 o  175.955   2.8168  8959.60  286.243   0.0000   0.0000  8959.60  286.243  ?   ?   175.955   2.8168      ?      ? 
1 1 1   11   32  -11 o  225.028   2.5502 14651.76  331.432   0.0000   0.0000 14651.76  331.432  ?   ?   225.028   2.5502      ?      ? 
1 1 1   11   33  -11 o   58.734   7.0043  1013.30  237.596   0.0000   0.0000  1013.30  237.596  ?   ?    58.734   7.0043      ?      ? 
1 1 1   11   34  -11 o  150.159   2.6633  6496.44  210.744  6677.86  390.069  6421.66  250.442  151.453   4.4594  148.865   2.9129 2.588058 5.326513 
1 1 1   11   35  -11 o   72.080   4.1587  1513.04  173.123   0.0000   0.0000  1513.04  173.123  ?   ?    72.080   4.1587      ?      ? 
1 1 1   11   36  -11 o   32.059   10.617  308.073  228.982   0.0000   0.0000  308.073  228.982  ?   ?    32.059   10.617      ?      ? 
1 1 1   11   37  -11 o   73.668   4.7795  1610.47  190.824  1645.73  334.151  1593.41  232.457   73.855   7.8339   73.482   5.4774 0.3732529 9.558902 
1 1 1   11   38  -11 o   94.078   3.9220  2597.39  210.878  2826.06  327.368  2435.20  275.697   97.450   5.8166   90.705   5.2628 6.745712 7.844079 
1 1 1   11   39  -11 o   39.138   7.2240  480.480  157.273   0.0000   0.0000  480.480  157.273  ?   ?    39.138   7.2240      ?      ? 
1 1 1   11   40  -11 o   68.470   4.8366  1586.57  149.908  1184.14  311.078  1708.30  171.084   60.820   8.8560   76.120   3.8916 -15.30008 9.673296 
1 1 1   11   41  -11 o   93.113   3.4443  2596.87  185.028  2445.08  255.965  2763.00  267.774   90.239   4.9114   95.986   4.8303 -5.747551 6.888623 
1 1 1   11   42  -11 f   43.575   6.7423  648.558  165.454  833.535  248.679  501.640  221.625   49.595   9.0140   37.555   10.029 12.04017 13.48454 
1 1 1   11   43  -11 o   37.833   8.4240  559.719  205.211  572.385  272.555  543.142  311.815   38.711   11.413   36.955   12.393 1.756096 16.84809 
1 1 1   11   44  -11 o   57.349   5.2028  1008.68  172.327   0.0000   0.0000  1008.68  172.327  ?   ?    57.349   5.2028      ?      ? 
1 1 1   11   45  -11 f   29.140   10.470  317.957  224.412   0.0000   0.0000  317.957  224.412  ?   ?    29.140   10.470      ?      ? 
1 1 1   11   46  -11 o   25.982   9.2731  245.682  175.762   0.0000   0.0000  245.682  175.762  ?   ?    25.982   9.2731      ?      ? 
1 1 1   11    0  -12 o  153.562   2.7788  6830.59  243.811  6865.02  324.020  6785.64  370.172  154.034   3.6469  153.090   4.1938 -0.000000 0.000000 
1 1 1   11    1  -12 o  263.815   1.4657 20092.80  219.493 20053.03  285.077 20150.70  343.973  263.499   1.8733  264.131   2.2549 -0.6318970 2.931463 
1 1 1   11    2  -12 o  242.473   1.7619 17065.48  220.053 17167.32  258.625 16798.38  418.831  243.805   1.8367  241.141   3.0073 2.663788 3.523874 
1 1 1   11    3  -12 o  182.841   2.1973  9764.69  205.070  9429.54  394.022  9889.21  240.160  180.647   3.7766  185.035   2.2473 -4.388489 4.394696 
1 1 1   11    4  -12 o  190.966   1.6318 10540.07  179.851 10775.64  251.629 10294.04  257.155  193.150   2.2557  188.782   2.3586 4.367569 3.263599 
1 1 1   11    5  -12 o  152.796   1.7889  6777.86  155.134  6553.66  240.846  6936.84  202.811  150.621   2.7686  154.971   2.2660 -4.349915 3.577713 
1 1 1   11    6  -12 o  105.967   3.5672  3238.38  215.285  3295.94  334.787  3197.79  281.115  106.758   5.4298  105.177   4.6278 1.580826 7.134405 
1 1 1   11    7  -12 o  206.018   1.9555 12258.81  232.679   0.0000   0.0000 12258.81  232.679  ?   ?   206.018   1.9555      ?      ? 
1 1 1   11    8  -12 o  351.934   2.1251 35813.41  404.578 35700.03  709.245 35868.10  492.582  351.490   3.4938  352.377   2.4204 -0.8868713 4.250284 
1 1 1   11    9  -12 f  183.731   2.4095  9751.38  255.684   0.0000   0.0000  9751.38  255.684  ?   ?   183.731   2.4095      ?      ? 
1 1 1   11   10  -12 f  162.330   2.4126  7647.98  211.113  7522.11  371.284  7708.12  256.638  161.317   3.9851  163.342   2.7204 -2.024765 4.825129 
1 1 1   11   11  -12 o  172.999   1.7105  8649.84  170.746  8544.77  245.933  8747.62  237.244  171.983   2.4760  174.015   2.3606 -2.032654 3.420947 
1 1 1   11   12  -12 o   90.195   2.8386  2354.75  146.640  2374.54  195.638  2329.37  221.527   90.635   3.7374   89.755   4.2735 0.8798370 5.677232 
1 1 1   11   13  -12 o  248.452   2.0115 17943.40  261.692 18092.26  311.035 17582.68  484.187  250.260   2.1520  246.644   3.3990 3.615402 4.022983 
1 1 1   11   14  -12 o  127.854   2.5467  4670.27  160.102  4621.09  182.915  4831.37  331.054  126.468   2.5043  129.240   4.4352 -2.772667 5.093389 
1 1 1   11   15  -12 o  258.599   2.1806 19319.60  325.680 19319.60  325.680   0.0000   0.0000  258.599   2.1806  ?   ?       ?      ? 
1 1 1   11   16  -12 o  227.801   2.2132 14992.80  291.181   0.0000   0.0000 14992.80  291.181  ?   ?   227.801   2.2132      ?      ? 
1 1 1   11   17  -12 o  201.505   1.9564 11740.88  211.978 11720.16  375.965 11750.54  256.664  201.343   3.2331  201.667   2.2037 -0.3235016 3.912720 
1 1 1   11   18  -12 o  147.277   2.2580  6263.58  171.204  6288.65  327.685  6254.17  200.788  147.438   3.8482  147.116   2.3632 0.3219147 4.515923 
1 1 1   11   19  -12 o   58.668   2.5900  996.629   87.669  950.183  124.472  1042.35  123.499   57.308   3.7608   60.029   3.5622 -2.720978 5.180014 
1 1 1   11   20  -12 o   71.963   4.0077  1499.01  166.566   0.0000   0.0000  1499.01  166.566  ?   ?    71.963   4.0077      ?      ? 
1 1 1   11   21  -12 o   61.133   3.4521  1081.30  121.883  1081.30  121.883   0.0000   0.0000   61.133   3.4521  ?   ?       ?      ? 
1 1 1   11   22  -12 o   86.754   3.0647  2034.72  114.895  1966.26  125.037  2406.13  291.226   82.468   2.6253   91.039   5.5388 -8.571815 6.129455 
1 1 1   11   23  -12 o  123.590   1.8965  4457.74  130.004  4569.88  163.675  4266.06  213.979  125.740   2.2538  121.441   3.0508 4.298866 3.793087 
1 1 1   11   24  -12 o   70.834   4.4275  1517.10  166.858  1623.54  204.351  1304.18  289.028   74.822   4.7290   66.846   7.4865 7.975441 8.854975 
1 1 1   11   25  -12 o  270.345   1.8117 21120.70  275.058 21182.80  444.569 21082.18  350.115  270.626   2.8444  270.064   2.2447 0.5629578 3.623402 
1 1 1   11   26  -12 o  155.456   2.6913  6975.05  239.614  7178.19  365.409  6821.80  317.376  157.409   4.0194  153.503   3.5799 3.906281 5.382520 
1 1 1   11   27  -12 o  164.317   1.9730  7803.15  187.238  7803.15  187.238   0.0000   0.0000  164.317   1.9730  ?   ?       ?      ? 
1 1 1   11   28  -12 o  124.090   3.3608  4457.68  240.862   0.0000   0.0000  4457.68  240.862  ?   ?   124.090   3.3608      ?      ? 
1 1 1   11   29  -12 o  269.347   1.9896 20938.88  297.486 21171.05  495.701 20808.20  371.903  270.443   3.1737  268.252   2.4005 2.190735 3.979256 
1 1 1   11   30  -12 o  243.755   2.3556 17198.79  331.432 17449.71  478.293 16967.00  459.691  245.456   3.3739  242.055   3.2883 3.400894 4.711271 
1 1 1   11   31  -12 o   92.069   3.9594  2399.46  206.583  2125.63  262.959  2840.94  333.887   85.443   5.3287   98.695   5.8576 -13.25161 7.918770 
1 1 1   11   32  -12 o  108.251   2.5493  3377.79  158.066  3246.90  208.782  3553.56  241.945  105.833   3.4158  110.669   3.7853 -4.836380 5.098650 
1 1 1   11   33  -12 o   90.361   3.6844  2262.87  177.678  2696.95  331.766  2088.30  210.393   95.983   5.9848   84.739   4.2989 11.24408 7.368773 
1 1 1   11   34  -12 f   95.094   4.2194  2632.38  231.733   0.0000   0.0000  2632.38  231.733  ?   ?    95.094   4.2194      ?      ? 
1 1 1   11   35  -12 o   75.801   4.2269  1682.37  168.932  1714.28  311.147  1669.03  201.162   76.013   7.0875   75.588   4.6080 0.4255371 8.453726 
1 1 1   11   36  -12 o   61.332   5.7150  1240.24  174.937  895.084  298.382  1421.02  215.944   53.179   10.084   69.484   5.3811 -16.30469 11.42995 
1 1 1   11   37  -12 o   90.748   3.8743  2484.50  179.961  2327.37  339.947  2545.68  212.122   88.191   6.6742   93.305   3.9364 -5.113884 7.748585 
1 1 1   11   38  -12 o   38.927   7.5064  475.559  162.643   0.0000   0.0000  475.559  162.643  ?   ?    38.927   7.5064      ?      ? 
1 1 1   11   39  -12 o   46.829   7.5106  677.916  203.130   0.0000   0.0000  677.916  203.130  ?   ?    46.829   7.5106      ?      ? 
1 1 1   11   40  -12 o   42.833   8.3064  659.271  221.210  906.668  319.401  431.213  306.663   50.743   11.199   34.922   12.271 15.82090 16.61287 
1 1 1   11   41  -12 o  116.474   3.3866  3996.97  227.814   0.0000   0.0000  3996.97  227.814  ?   ?   116.474   3.3866      ?      ? 
1 1 1   11   42  -12 o   61.325   4.6349  1145.37  161.687  1387.08  257.130  987.292  207.942   66.415   6.7035   56.234   6.4026 10.18067 9.269855 
1 1 1   11   43  -12 o   36.335   9.5126  471.627  201.967   0.0000   0.0000  471.627  201.967  ?   ?    36.335   9.5126      ?      ? 
1 1 1   11   44  -12 o   46.133   6.4129  736.805  162.902  838.811  254.764  666.252  211.875   48.514   9.4322   43.753   8.6911 4.761150 12.82586 
1 1 1   11   45  -12 o   19.049   6.3019 -109.2830  174.096 -236.4350  278.024 -27.2651  223.293   18.475   8.8851   19.623   8.9393 -1.147821 12.60378 
1 1 1   11    0  -13 f  324.335   2.0275 30383.58  379.749 30383.58  379.749   0.0000   0.0000  324.335   2.0275  324.335   2.0275 -0.000000 0.000000 
1 1 1   11    1  -13 o  250.879   1.6322 18168.88  236.379 18535.52  340.662 17828.43  328.265  253.318   2.3285  248.440   2.2878 4.877579 3.264326 
1 1 1   11    2  -13 o  170.672   2.3551  8416.10  211.479  8417.00  390.148  8415.72  251.656  170.659   3.9584  170.685   2.5529 -0.2671814E-01 4.710174 
1 1 1   11    3  -13 o  215.737   1.7812 13475.69  196.185 13377.95  379.508 13511.33  229.183  215.185   3.0537  216.289   1.8347 -1.103287 3.562447 
1 1 1   11    4  -13 o  110.661   1.8782  3542.35  119.683  3470.91  175.167  3604.90  163.908  109.612   2.7670  111.711   2.5405 -2.099121 3.756399 
1 1 1   11    5  -13 o   58.757   5.3693  933.180  171.437  818.212  205.032  1200.35  312.553   53.165   6.6774   64.348   8.4101 -11.18324 10.73862 
1 1 1   11    6  -13 o  170.393   2.1439  8313.00  154.200  8278.22  167.950  8499.70  389.118  169.299   1.7177  171.488   3.9288 -2.188934 4.287896 
1 1 1   11    7  -13 o   72.045   3.2733  1499.83  136.201   0.0000   0.0000  1499.83  136.201  ?   ?    72.045   3.2733      ?      ? 
1 1 1   11    8  -13 o  303.674   1.6552 26639.21  290.294 26637.49  410.710 26640.94  410.366  303.665   2.3418  303.684   2.3397 -0.1971436E-01 3.310359 
1 1 1   11    9  -13 o   59.952   5.6889  1040.15  196.977   0.0000   0.0000  1040.15  196.977  ?   ?    59.952   5.6889      ?      ? 
1 1 1   11   10  -13 o  144.546   2.2274  6035.56  185.948   0.0000   0.0000  6035.56  185.948  ?   ?   144.546   2.2274      ?      ? 
1 1 1   11   11  -13 o   72.976   4.0634  1484.96  147.870  1655.04  304.680  1432.55  169.123   75.566   6.9812   70.387   4.1603 5.178833 8.126864 
1 1 1   11   12  -13 o   60.451   5.1231  1063.07  178.057  1019.92  261.397  1100.43  243.206   59.289   7.6338   61.614   6.8346 -2.324402 10.24629 
1 1 1   11   13  -13 o   98.108   2.9712  2730.60  128.524  2702.11  141.329  2866.80  309.003   96.705   2.5304   99.510   5.3766 -2.804771 5.942315 
1 1 1   11   14  -13 o   98.254   3.8706  2794.89  219.596  2752.88  306.817  2839.01  314.436   97.499   5.4487   99.010   5.4988 -1.511047 7.741168 
1 1 1   11   15  -13 o  357.503   2.5531 36932.56  527.154   0.0000   0.0000 36932.56  527.154  ?   ?   357.503   2.5531      ?      ? 
1 1 1   11   16  -13 o  217.903   2.3050 13719.75  290.084   0.0000   0.0000 13719.75  290.084  ?   ?   217.903   2.3050      ?      ? 
1 1 1   11   17  -13 o   97.840   2.7965  2767.04  158.024  2767.04  158.024   0.0000   0.0000   97.840   2.7965  ?   ?       ?      ? 
1 1 1   11   18  -13 o  153.820   1.6223  6857.24  138.240  6766.76  230.042  6908.39  172.952  153.007   2.6032  154.632   1.9366 -1.624802 3.244559 
1 1 1   11   19  -13 o  232.536   2.0067 15623.36  245.640 15658.25  452.964 15608.82  292.363  232.662   3.3709  232.409   2.1781 0.2529755 4.013418 
1 1 1   11   20  -13 o  176.255   2.2561  9057.60  222.572  9290.80  283.887  8685.58  358.558  179.261   2.7420  173.249   3.5835 6.011459 4.512209 
1 1 1   11   21  -13 o   22.765   9.0711   78.662  179.253   0.0000   0.0000   78.662  179.253  ?   ?    22.765   9.0711      ?      ? 
1 1 1   11   22  -13 o   88.704   2.8210  2193.54  126.690  2107.51  145.915  2457.00  255.348   85.361   2.9598   92.047   4.8033 -6.686096 5.641949 
1 1 1   11   23  -13 o  135.482   1.8596  5304.19  145.371  5234.38  200.719  5381.20  210.824  134.548   2.5830  136.416   2.6759 -1.867645 3.719179 
1 1 1   11   24  -13 o  203.092   1.6658 11930.38  195.274 11620.40  278.341 12230.83  274.027  200.488   2.4038  205.695   2.3067 -5.207672 3.331525 
1 1 1   11   25  -13 o  135.655   2.4307  5519.13  139.895  5615.26  153.423  5044.98  340.727  139.396   1.9057  131.914   4.4723 7.482224 4.861386 
1 1 1   11   26  -13 o  164.764   2.0852  7846.40  198.426   0.0000   0.0000  7846.40  198.426  ?   ?   164.764   2.0852      ?      ? 
1 1 1   11   27  -13 o   87.126   2.6846  2199.51  134.753  2189.82  197.424  2207.95  184.382   86.936   3.9320   87.315   3.6563 -0.3788681 5.369282 
1 1 1   11   28  -13 o   54.846   6.4581  998.090  152.128  1061.59  170.540  750.730  336.589   60.465   4.8836   49.227   11.957 11.23722 12.91623 
1 1 1   11   29  -13 o   84.540   4.3570  2011.71  183.661  2228.21  377.512  1944.58  210.216   87.223   7.4940   81.856   4.4466 5.367249 8.713921 
1 1 1   11   30  -13 o   70.862   5.7935  1404.64  230.608  1967.99  373.140  1056.50  293.333   81.839   7.8945   59.884   8.4814 21.95568 11.58692 
1 1 1   11   31  -13 o  138.506   3.3187  5585.00  264.357  5503.31  390.598  5654.05  359.101  137.523   4.9178  139.489   4.4575 -1.965500 6.637313 
1 1 1   11   32  -13 o  196.771   2.3090 11335.39  245.482 10905.20  427.183 11547.50  299.954  193.817   3.8163  199.725   2.6004 -5.908188 4.617979 
1 1 1   11   33  -13 o  127.457   3.2006  4672.21  231.933  5062.42  367.210  4413.23  299.158  131.753   4.8258  123.161   4.2057 8.592300 6.401276 
1 1 1   11   34  -13 o  148.383   2.7860  6409.15  235.309  6401.88  364.865  6414.32  307.895  148.212   4.2625  148.553   3.5887 -0.3416595 5.572029 
1 1 1   11   35  -13 o   74.024   4.6377  1546.04  188.027  1872.69  333.990  1394.47  227.505   79.245   7.2975   68.802   5.7253 10.44292 9.275407 
1 1 1   11   36  -13 o   42.243   8.1548  556.726  191.748   0.0000   0.0000  556.726  191.748  ?   ?    42.243   8.1548      ?      ? 
1 1 1   11   37  -13 o   45.696   6.9289  648.950  162.616  709.893  315.421  626.887  189.782   45.877   11.829   45.515   7.2196 0.3614120 13.85781 
1 1 1   11   38  -13 o   85.315   4.3696  2181.73  213.946  2544.69  313.797  1866.47  292.459   92.068   5.9014   78.562   6.4457 13.50610 8.739177 
1 1 1   11   39  -13 o   47.786   7.9440  717.347  219.241   0.0000   0.0000  717.347  219.241  ?   ?    47.786   7.9440      ?      ? 
1 1 1   11   40  -13 o   74.300   4.4588  1674.61  177.887  1766.17  318.318  1633.03  214.509   74.929   7.3557   73.670   5.0416 1.259567 8.917612 
1 1 1   11   41  -13 o   85.214   4.4925  2176.62  221.097   0.0000   0.0000  2176.62  221.097  ?   ?    85.214   4.4925      ?      ? 
1 1 1   11   42  -13 o   31.694   8.7303  347.577  164.899   0.0000   0.0000  347.577  164.899  ?   ?    31.694   8.7303      ?      ? 
1 1 1   11   43  -13 o   50.553   6.6931  893.089  190.091  728.626  261.379  1077.74  276.956   44.462   10.369   56.644   8.4659 -12.18201 13.38628 
1 1 1   11   44  -13 o   60.512   6.2567  1163.66  218.660   0.0000   0.0000  1163.66  218.660  ?   ?    60.512   6.2567      ?      ? 
1 1 1   11   45  -13 o   24.959   7.2767  196.868  169.792  165.630  259.250  220.331  224.685   24.481   10.430   25.438   10.149 -0.9570599 14.55343 
1 1 1   11    0  -14 o  108.593   3.2780  3415.72  205.163  3415.72  205.163   0.0000   0.0000  108.593   3.2780  108.593   3.2780 -0.000000 0.000000 
1 1 1   11    1  -14 o  225.204   1.9520 14528.11  210.069 14432.51  237.357 14873.66  451.254  223.537   1.8385  226.871   3.4439 -3.333817 3.903960 
1 1 1   11    2  -14 o   90.557   3.4016  2483.94  149.665  2589.54  172.516  2162.65  300.913   94.668   3.1553   86.446   6.0271 8.222443 6.803109 
1 1 1   11    3  -14 o  112.984   2.4865  3733.90  130.875  3613.34  286.987  3765.56  147.056  111.794   4.4449  114.175   2.2301 -2.381638 4.972960 
1 1 1   11    4  -14 f  276.879   1.9214 22206.15  296.832 22375.92  374.976 21921.22  485.785  278.317   2.3328  275.441   3.0537 2.875671 3.842817 
1 1 1   11    5  -14 o  262.881   2.0755 20027.53  293.629 19800.07  518.721 20134.78  356.190  261.753   3.4313  264.010   2.3360 -2.256653 4.150990 
1 1 1   11    6  -14 f  137.117   1.8723  5433.66  147.318  5448.78  197.593  5414.74  221.054  137.335   2.4912  136.898   2.7959 0.4369354 3.744694 
1 1 1   11    7  -14 o  212.109   2.2018 12996.35  269.720 12996.35  269.720   0.0000   0.0000  212.109   2.2018  ?   ?       ?      ? 
1 1 1   11    8  -14 o   83.053   3.8568  1953.39  146.326  1926.97  162.480  2066.78  336.612   81.653   3.4454   84.453   6.9013 -2.800217 7.713521 
1 1 1   11    9  -14 o  202.378   2.2345 11827.96  259.013 11901.53  392.946 11771.43  344.431  202.925   3.3528  201.832   2.9548 1.092560 4.469034 
1 1 1   11   10  -14 o  124.730   2.4447  4494.83  176.109   0.0000   0.0000  4494.83  176.109  ?   ?   124.730   2.4447      ?      ? 
1 1 1   11   11  -14 o  130.764   2.1535  4942.06  162.627  4998.56  229.837  4885.41  230.142  131.514   3.0260  130.015   3.0649 1.498428 4.306986 
1 1 1   11   12  -14 o  199.266   1.9327 11470.33  222.423   0.0000   0.0000 11470.33  222.423  ?   ?   199.266   1.9327      ?      ? 
1 1 1   11   13  -14 o  210.285   1.9227 12728.41  215.395 12909.94  390.125 12648.81  258.339  211.329   3.1964  209.241   2.1378 2.088348 3.845368 
1 1 1   11   14  -14 o  317.854   1.6720 29196.87  306.834 29359.19  429.197 29027.18  438.820  318.761   2.3313  316.948   2.3972 1.812927 3.343942 
1 1 1   11   15  -14 o  255.005   1.5652 18788.47  230.506 19073.16  326.980 18507.23  324.999  256.926   2.2036  253.084   2.2235 3.841766 3.130426 
1 1 1   11   16  -14 o   90.801   4.0444  2395.39  211.043  2343.08  312.553  2439.23  286.116   89.867   6.0219   91.735   5.4004 -1.867310 8.088759 
1 1 1   11   17  -14 o  130.372   2.0775  4801.01  125.805  4726.23  140.388  5105.90  283.474  127.900   1.9005  132.844   3.6948 -4.944603 4.154901 
1 1 1   11   18  -14 o  113.912   1.8044  3734.73  117.666  3868.62  180.023  3634.87  155.474  115.680   2.6945  112.144   2.4005 3.536461 3.608702 
1 1 1   11   19  -14 o  166.738   1.9899  8077.48  183.993  8180.33  230.820  7898.25  304.719  168.231   2.3756  165.244   3.1929 2.987442 3.979757 
1 1 1   11   20  -14 o  149.044   2.4023  6421.26  206.789   0.0000   0.0000  6421.26  206.789  ?   ?   149.044   2.4023      ?      ? 
1 1 1   11   21  -14 o  142.085   2.3863  5831.17  192.862  5780.33  251.301  5904.02  300.828  141.358   3.0781  142.812   3.6473 -1.454254 4.772573 
1 1 1   11   22  -14 o   96.327   2.6651  2700.95  147.425  2507.63  215.174  2871.98  202.393   93.045   4.0042   99.609   3.5181 -6.564857 5.330147 
1 1 1   11   23  -14 o  160.078   1.7490  7453.93  155.088  7246.25  257.121  7572.70  194.440  158.286   2.8126  161.869   2.0799 -3.582840 3.498085 
1 1 1   11   24  -14 o   86.480   2.2154  2163.84  108.631  2163.61  140.821  2164.18  170.715   86.491   2.8191   86.470   3.4184 0.2067566E-01 4.430882 
1 1 1   11   25  -14 o  156.264   2.1585  7123.75  183.227  7242.48  224.876  6889.23  316.043  158.269   2.4601  154.258   3.5474 4.011124 4.317000 
1 1 1   11   26  -14 o  174.427   1.5661  8805.39  154.444  8845.96  199.286  8744.39  244.381  174.950   1.9723  173.905   2.4332 1.045166 3.132146 
1 1 1   11   27  -14 o  145.827   2.2645  6066.28  165.319  6334.52  333.552  5978.93  190.344  147.850   3.9062  143.805   2.2918 4.045212 4.528911 
1 1 1   11   28  -14 o  127.550   2.5129  4705.45  185.113  4705.45  185.113   0.0000   0.0000  127.550   2.5129  ?   ?       ?      ? 
1 1 1   11   29  -14 o   90.471   2.9431  2376.74  152.070  2387.72  200.919  2362.02  232.680   90.749   3.8335   90.194   4.4668 0.5544281 5.886249 
1 1 1   11   30  -14 o  115.039   2.9736  3842.83  190.622  3840.53  313.774  3844.17  239.985  114.930   4.7271  115.148   3.6086 -0.2182693 5.947108 
1 1 1   11   31  -14 o  212.722   2.3068 13091.46  283.409 13091.46  283.409   0.0000   0.0000  212.722   2.3068  ?   ?       ?      ? 
1 1 1   11   32  -14 o  232.025   2.3299 15619.29  310.577 15660.44  418.620 15568.92  463.202  232.418   3.1186  231.632   3.4625 0.7859802 4.659896 
1 1 1   11   33  -14 o   81.791   3.7086  1902.78  157.016  2081.40  303.525  1837.51  183.472   84.116   6.2478   79.466   3.9976 4.650208 7.417295 
1 1 1   11   34  -14 o   39.548   6.5109  487.506  147.088  378.625  201.778  610.972  214.868   34.740   9.6904   44.355   8.6985 -9.614834 13.02184 
1 1 1   11   35  -14 o   35.823   7.5559  387.367  185.019  145.942  261.518  629.306  261.796   27.411   10.946   44.235   10.419 -16.82392 15.11183 
1 1 1   11   36  -14 o   20.091   6.6340 -183.7817  179.688 -243.1544  312.743 -154.5237  219.542   21.573   10.089   18.609   8.6173 2.963907 13.26803 
1 1 1   11   37  -14 o   63.376   4.9197  1155.66  165.147  1381.94  311.800  1067.42  194.700   66.939   8.0651   59.813   5.6362 7.125980 9.839377 
1 1 1   11   38  -14 o   53.032   6.6399  918.697  193.897  891.515  304.933  937.147  251.227   51.279   10.645   54.785   7.9400 -3.505375 13.27972 
1 1 1   11   39  -14 o   86.511   3.7227  2362.52  155.589  2041.30  311.425  2469.36  179.611   81.361   6.6275   91.661   3.3928 -10.30029 7.445490 
1 1 1   11   40  -14 o   26.522   9.2216  227.079  172.967   0.0000   0.0000  227.079  172.967  ?   ?    26.522   9.2216      ?      ? 
1 1 1   11   41  -14 o   57.386   6.5016  1031.06  215.481   0.0000   0.0000  1031.06  215.481  ?   ?    57.386   6.5016      ?      ? 
1 1 1   11   42  -14 o   71.816   4.0950  1602.53  160.023  1579.79  274.236  1614.26  197.049   70.576   6.7280   73.056   4.6702 -2.480537 8.189989 
1 1 1   11   43  -14 o   42.959   6.4805  594.080  147.308  866.178  268.385  476.766  176.225   48.896   9.8445   37.023   8.4304 11.87251 12.96093 
1 1 1   11   44  -14 o   34.449   7.4856  438.826  161.332  633.013  265.456  325.090  203.157   39.600   11.139   29.298   10.003 10.30240 14.97113 
1 1 1   11    0  -15 o  262.402   2.2824 19861.45  345.065 20462.63  507.432 19344.30  470.635  266.085   3.3031  258.718   3.1508 -0.000000 0.000000 
1 1 1   11    1  -15 o  285.911   2.3399 23614.76  386.374   0.0000   0.0000 23614.76  386.374  ?   ?   285.911   2.3399      ?      ? 
1 1 1   11    2  -15 o  174.527   2.2110  8747.51  207.945  8652.35  251.536  8952.95  369.589  173.058   2.5166  175.996   3.6361 -2.937790 4.422036 
1 1 1   11    3  -15 o  359.794   2.1815 37289.73  429.097 37772.33  739.526 37044.80  526.854  361.505   3.5420  358.084   2.5475 3.420776 4.363029 
1 1 1   11    4  -15 o  331.654   2.4109 31789.77  461.781 31849.79  656.709 31731.07  649.464  331.962   3.4253  331.346   3.3938 0.6166992 4.821899 
1 1 1   11    5  -15 o  210.744   1.8640 12867.69  219.136 12971.59  276.769 12693.12  358.754  211.902   2.2615  209.586   2.9638 2.315857 3.728071 
1 1 1   11    6  -15 o   92.533   3.9032  2469.83  193.202  2455.66  232.540  2501.41  347.163   92.147   4.3695   92.919   6.4691 -0.7719040 7.806498 
1 1 1   11    7  -15 o  141.511   2.0639  5788.14  149.464  5783.91  288.512  5789.69  174.741  141.453   3.5316  141.569   2.1372 -0.1163940 4.127880 
1 1 1   11    8  -15 o  178.830   2.1124  9244.53  217.366  9270.93  295.208  9213.26  321.243  179.115   2.8537  178.545   3.1153 0.5699005 4.224783 
1 1 1   11    9  -15 o   70.168   4.4147  1393.59  160.148  1354.20  187.143  1501.37  309.533   68.411   4.7366   71.925   7.4515 -3.514160 8.829483 
1 1 1   11   10  -15 o  159.420   1.4640  7347.41  133.002  7375.10  174.606  7309.13  205.282  159.783   1.8921  159.057   2.2347 0.7269287 2.928099 
1 1 1   11   11  -15 o   12.883   6.3257 -331.6050  162.215 -331.6050  162.215   0.0000   0.0000   12.883   6.3257  ?   ?       ?      ? 
1 1 1   11   12  -15 o  216.350   2.2537 13524.16  281.610   0.0000   0.0000 13524.16  281.610  ?   ?   216.350   2.2537      ?      ? 
1 1 1   11   13  -15 o  142.630   1.8638  5857.86  152.613  6068.45  230.437  5693.33  203.685  144.900   2.7536  140.361   2.5126 4.539474 3.727668 
1 1 1   11   14  -15 o  281.737   1.6093 22936.98  261.849 23006.11  369.044 22866.89  371.590  282.166   2.2646  281.309   2.2871 0.8568420 3.218604 
1 1 1   11   15  -15 o  111.758   2.2605  3629.93  144.753  3447.64  215.581  3779.59  195.336  109.179   3.4189  114.337   2.9581 -5.158028 4.520957 
1 1 1   11   16  -15 o  147.700   1.5222  6302.96  123.490  6306.96  210.122  6300.85  152.632  147.720   2.4629  147.680   1.7895 0.4084778E-01 3.044380 
1 1 1   11   17  -15 o   12.775   6.3198 -547.6114  122.146 -701.8580  173.083 -394.5789  172.400  ?   ?    12.775   6.3198      ?      ? 
1 1 1   11   18  -15 o  108.254   2.4835  3457.23  135.471  3255.05  263.687  3529.73  157.904  106.005   4.3070  110.502   2.4742 -4.496689 4.967099 
1 1 1   11   19  -15 o   62.405   3.4629  1131.98  124.497  1208.02  174.590  1053.31  177.579   64.553   4.6829   60.256   5.1028 4.297054 6.925890 
1 1 1   11   20  -15 o   46.699   4.9240  638.966  132.018  683.187  181.532  589.323  192.340   48.451   6.4873   44.947   7.4094 3.504196 9.848014 
1 1 1   11   21  -15 o  105.812   2.4593  3240.16  150.277  3275.36  214.341  3206.12  210.751  106.377   3.4888  105.248   3.4671 1.128883 4.918607 
1 1 1   11   22  -15 o  110.540   2.1008  3491.73  130.850  3725.11  212.487  3349.17  166.075  113.461   3.2427  107.619   2.6720 5.841927 4.201693 
1 1 1   11   23  -15 o  212.891   1.5310 13102.41  187.688 13130.88  255.996 13069.31  275.993  213.149   2.0795  212.633   2.2474 0.5156708 3.061903 
1 1 1   11   24  -15 o   73.110   4.5400  1528.53  185.516  1451.10  231.976  1665.93  309.003   70.654   5.6849   75.567   7.0802 -4.912796 9.080030 
1 1 1   11   25  -15 o  190.089   1.5961 10463.85  167.874 10509.20  209.539 10382.56  280.513  190.695   1.9026  189.482   2.5633 1.212311 3.192223 
1 1 1   11   26  -15 o  140.413   2.5083  5604.60  159.950  5540.99  177.380  5881.35  370.007  138.443   2.2184  142.384   4.4995 -3.940125 5.016676 
1 1 1   11   27  -15 o  112.326   2.7446  3657.61  162.346  3658.53  193.363  3655.41  298.862  112.435   2.9777  112.216   4.6114 0.2190094 5.489233 
1 1 1   11   28  -15 o   80.366   3.0603  1805.91  126.520  1728.96  146.956  2026.28  248.704   77.264   3.2932   83.467   5.1592 -6.202583 6.120688 
1 1 1   11   29  -15 o   81.264   3.7442  1975.44  147.661  2022.56  169.309  1825.71  301.805   83.535   3.5094   78.994   6.6153 4.541199 7.488495 
1 1 1   11   30  -15 o  170.311   2.8082  8398.57  276.225   0.0000   0.0000  8398.57  276.225  ?   ?   170.311   2.8082      ?      ? 
1 1 1   11   31  -15 o   25.067   7.6312 -66.1440  212.131 -290.2418  304.900  144.102  295.326   21.099   9.8971   29.036   11.619 -7.936825 15.26248 
1 1 1   11   32  -15 o  117.613   2.7464  4050.88  166.216  3958.32  315.902  4086.31  195.459  116.490   4.6955  118.735   2.8503 -2.244888 5.492866 
1 1 1   11   33  -15 o   69.288   4.1967  1330.08  148.536  1595.36  298.925  1243.11  171.162   73.333   7.0579   65.243   4.5424 8.090240 8.393318 
1 1 1   11   34  -15 o   60.699   3.6170  1089.84  122.016  1053.52  200.131  1111.32  153.934   59.741   5.8003   61.657   4.3228 -1.915306 7.234001 
1 1 1   11   35  -15 o   30.315   7.4054  247.609  146.499  359.872  271.805  201.643  173.924   34.078   11.570   26.552   9.2462 7.525612 14.81083 
1 1 1   11   36  -15 o  103.659   2.5478  3139.91  152.452  3071.18  211.552  3214.17  219.889  102.490   3.5740  104.828   3.6320 -2.337769 5.095534 
1 1 1   11   37  -15 o   28.254   7.2448  189.028  150.028  390.712  259.011   87.194  184.047   34.207   11.290   22.300   9.0824 11.90703 14.48965 
1 1 1   11   38  -15 o   42.507   6.0675  549.680  148.954   0.0000   0.0000  549.680  148.954  ?   ?    42.507   6.0675      ?      ? 
1 1 1   11   39  -15 o   83.606   4.4028  2085.06  212.596   0.0000   0.0000  2085.06  212.596  ?   ?    83.606   4.4028      ?      ? 
1 1 1   11   40  -15 o   18.283   8.4081 -88.5468  203.878   0.0000   0.0000 -88.5468  203.878  ?   ?    18.283   8.4081      ?      ? 
1 1 1   11   41  -15 o   63.939   4.9609  1252.79  178.618  1535.85  295.442  1089.72  224.240   69.072   7.4060   58.806   6.6024 10.26588 9.921752 
1 1 1   11   42  -15 o   37.643   8.3610  487.976  177.046   0.0000   0.0000  487.976  177.046  ?   ?    37.643   8.3610      ?      ? 
1 1 1   11   43  -15 o   69.438   5.0965  1573.68  203.935  1478.18  277.398  1686.01  300.840   67.227   7.1446   71.649   7.2701 -4.422211 10.19309 
1 1 1   11   44  -15 o   51.794   4.2533  859.377  127.020  904.100  178.780  813.790  180.499   53.330   5.8045   50.257   6.2186 3.072548 8.506605 
1 1 1   11    0  -16 o  139.664   2.6544  5640.51  213.933  5640.51  213.933   0.0000   0.0000  139.664   2.6544  139.664   2.6544 -0.000000 0.000000 
1 1 1   11    1  -16 f   84.250   3.2112  2051.45  156.253  2051.45  156.253   0.0000   0.0000   84.250   3.2112  ?   ?       ?      ? 
1 1 1   11    2  -16 o  173.192   2.0401  8611.16  187.122  8527.20  223.215  8809.67  343.216  171.804   2.2496  174.579   3.4040 -2.774811 4.080184 
1 1 1   11    3  -16 o   76.754   2.6740  1703.58  118.394  1697.01  171.485  1709.57  163.659   76.610   3.8757   76.898   3.6850 -0.2877426 5.347950 
1 1 1   11    4  -16 o  186.342   1.9424 10002.85  176.224  9976.45  200.840 10091.16  367.363  185.842   1.8712  186.842   3.4044 -0.9997101 3.884723 
1 1 1   11    5  -16 o   50.141   5.5598  705.959  140.437  664.640  163.447  822.509  274.506   47.900   5.9082   52.381   9.4202 -4.480789 11.11964 
1 1 1   11    6  -16 o  171.388   2.0773  8480.28  189.201  8466.62  226.741  8511.59  343.316  171.187   2.2934  171.588   3.4644 -0.4005737 4.154665 
1 1 1   11    7  -16 o   51.412   6.5662  849.655  156.621  669.062  323.083  905.132  179.069   46.920   11.904   55.903   5.5462 -8.983109 13.13236 
1 1 1   11    8  -16 o  189.537   1.4142 10387.30  142.919 10402.04  171.850 10354.23  257.375  189.770   1.5680  189.304   2.3541 0.4660034 2.828463 
1 1 1   11    9  -16 o  135.984   2.3780  5347.79  175.233  5350.77  213.656  5341.68  306.281  136.070   2.7187  135.898   3.9023 0.1718292 4.756012 
1 1 1   11   10  -16 o  226.165   1.3947 14813.45  178.961 14581.36  279.575 14974.57  232.938  224.651   2.1548  227.679   1.7715 -3.028015 2.789477 
1 1 1   11   11  -16 o  135.957   2.4842  5399.46  185.770  5528.80  231.452  5165.27  311.443  138.300   2.8977  133.614   4.0359 4.686386 4.968433 
1 1 1   11   12  -16 o   68.628   3.1417  1371.31  120.336  1394.98  152.487  1332.21  195.925   69.440   3.8022   67.815   5.0024 1.625206 6.283361 
1 1 1   11   13  -16 f   87.878   3.0502  2314.50  139.027  2052.55  254.235  2426.25  166.056   84.154   5.2309   91.602   3.1388 -7.447838 6.100362 
1 1 1   11   14  -16 f   90.565   2.5941  2361.27  132.169  2424.77  213.820  2322.01  168.139   91.527   4.0450   89.604   3.2491 1.923294 5.188254 
1 1 1   11   15  -16 o  166.941   2.4142  8055.02  232.767   0.0000   0.0000  8055.02  232.767  ?   ?   166.941   2.4142      ?      ? 
1 1 1   11   16  -16 o  164.168   2.1211  7887.72  185.477  7549.68  331.077  8042.35  223.914  161.526   3.5490  166.810   2.3242 -5.284592 4.242291 
1 1 1   11   17  -16 o   38.840   5.4531  446.446  116.501  510.039  183.553  403.547  150.760   41.112   8.0185   36.567   7.3927 4.544952 10.90629 
1 1 1   11   18  -16 o  171.674   2.0806  8538.87  192.552  8482.40  339.433  8565.67  233.814  171.207   3.4328  172.142   2.3518 -0.9352112 4.161130 
1 1 1   11   19  -16 o   75.146   2.9946  1687.52  125.283  1401.51  194.983  1888.63  163.500   69.512   4.8568   80.779   3.5046 -11.26637 5.989184 
1 1 1   11   20  -16 o  258.095   1.5963 19261.28  237.300 19344.29  324.253 19165.56  348.211  258.703   2.1702  257.486   2.3416 1.217041 3.192580 
1 1 1   11   21  -16 o   80.470   2.9699  1874.46  136.192  1864.68  178.437  1888.12  210.790   80.241   3.8504   80.699   4.5227 -0.4585114 5.939728 
1 1 1   11   22  -16 f  160.580   2.2336  7493.20  178.515  7524.70  205.877  7397.74  358.364  161.345   2.2094  159.816   3.8826 1.529190 4.467172 
1 1 1   11   23  -16 o  118.155   3.1981  3985.57  190.822  4178.52  380.226  3920.60  220.617  119.920   5.4899  116.391   3.2820 3.529358 6.396121 
1 1 1   11   24  -16 o   71.568   3.3226  1421.63  118.384  1363.12  135.141  1614.68  245.458   68.619   3.4100   74.516   5.7035 -5.896820 6.645141 
1 1 1   11   25  -16 o  224.982   2.0970 14693.59  252.923 14774.68  305.832 14518.12  449.876  226.052   2.3425  223.912   3.4788 2.140335 4.194000 
1 1 1   11   26  -16 o   96.807   2.9935  2763.44  163.698  2984.67  215.843  2463.91  251.156  101.495   3.6822   92.118   4.7208 9.377144 5.986997 
1 1 1   11   27  -16 o  126.413   3.0600  4797.09  184.839  4930.38  210.791  4353.56  384.517  130.529   2.7962  122.298   5.4439 8.231071 6.120035 
1 1 1   11   28  -16 o   25.489   6.1132  169.082  107.873  239.178  165.118  116.886  142.483   28.557   8.9794   22.420   8.2979 6.137163 12.22637 
1 1 1   11   29  -16 o   39.724   4.7191  469.534  104.872  470.489  139.527  468.292  158.995   40.120   6.0216   39.327   7.2678 0.7930412 9.438203 
1 1 1   11   30  -16 o  141.112   2.5930  5907.34  169.698  5565.52  371.359  5997.55  190.782  138.254   4.6508  143.969   2.2945 -5.715683 5.186036 
1 1 1   11   31  -16 o   58.812   5.8611  1071.65  180.204  952.823  307.077  1134.07  222.555   55.489   9.9474   62.135   6.2017 -6.646255 11.72227 
1 1 1   11   32  -16 o   98.789   3.5802  2911.78  189.324  3012.40  230.629  2703.86  331.524  101.721   3.9257   95.858   5.9883 5.863815 7.160366 
1 1 1   11   33  -16 o   94.872   3.0646  2614.61  167.918   0.0000   0.0000  2614.61  167.918  ?   ?    94.872   3.0646      ?      ? 
1 1 1   11   34  -16 o   35.505   6.4298  459.308  130.049  160.101  285.385  537.725  146.100   28.429   11.405   42.582   5.9407 -14.15345 12.85964 
1 1 1   11   35  -16 o   47.894   5.4205  707.784  145.489  810.770  208.257  609.609  203.335   51.836   6.9564   43.952   8.3148 7.883644 10.84102 
1 1 1   11   36  -16 o   74.655   4.0150  1638.90  173.112   0.0000   0.0000  1638.90  173.112  ?   ?    74.655   4.0150      ?      ? 
1 1 1   11   37  -16 o   85.382   3.1293  2059.64  125.973  2345.26  281.233  1987.94  140.899   88.288   5.5154   82.475   2.9580 5.813087 6.258569 
1 1 1   11   38  -16 o   54.370   6.0281  983.227  165.900  903.485  297.822  1019.10  199.764   50.995   10.463   57.746   5.9898 -6.751541 12.05626 
1 1 1   11   39  -16 o   43.464   6.8490  672.426  147.499  601.494  308.442  693.456  167.947   39.549   12.246   47.379   6.1376 -7.829739 13.69805 
1 1 1   11   40  -16 o   27.588   7.1080  258.773  156.908   10.882  307.695  345.890  182.407   23.800   10.701   31.375   9.3582 -7.574759 14.21605 
1 1 1   11   41  -16 o   54.928   4.9411  960.146  152.559  990.537  246.059  941.167  194.443   55.017   7.7438   54.840   6.1392 0.1776543 9.882156 
1 1 1   11   42  -16 o   12.290   6.0676 -297.6792  156.171   0.0000   0.0000 -297.6792  156.171  ?   ?    12.290   6.0676      ?      ? 
1 1 1   11   43  -16 o   37.710   5.1166  479.494  103.838  466.716  174.470  486.504  129.215   36.133   8.5022   39.286   5.6950 -3.152363 10.23328 
1 1 1   11    0  -17 o  ?   ?  -1016.2860  130.638 -973.2231  143.937 -1217.5439  311.172  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   11    1  -17 o   86.446   2.2122  2161.01  110.303  2180.28  152.544  2139.89  159.683   86.852   3.0411   86.039   3.2135 0.8130188 4.424340 
1 1 1   11    2  -17 o  127.979   2.3745  4677.99  171.415  4993.81  277.526  4483.19  217.961  131.417   3.6565  124.543   3.0302 6.874046 4.748945 
1 1 1   11    3  -17 o   56.822   3.9477  945.059  128.157  1067.25  177.504  812.006  185.224   60.715   5.0621   52.930   6.0592 7.785194 7.895438 
1 1 1   11    4  -17 o  138.779   2.0319  5566.98  159.041  5563.50  253.829  5569.23  204.064  138.731   3.1680  138.827   2.5451 -0.9671021E-01 4.063706 
1 1 1   11    5  -17 o   88.812   2.7070  2204.35  117.123  2425.50  249.017  2141.53  132.719   91.541   4.7101   86.084   2.6695 5.457161 5.413966 
1 1 1   11    6  -17 f  143.730   1.8334  5992.46  151.083  6178.03  203.659  5765.34  225.305  146.221   2.4116  141.239   2.7620 4.982010 3.666709 
1 1 1   11    7  -17 o  120.303   1.6966  4182.84  117.836  4151.50  168.567  4212.80  164.788  119.861   2.4351  120.745   2.3630 -0.8840485 3.393146 
1 1 1   11    8  -17 o  129.341   2.6429  4834.90  197.425  4834.90  197.425   0.0000   0.0000  129.341   2.6429  ?   ?       ?      ? 
1 1 1   11    9  -17 o  224.745   1.9437 14617.82  237.453 14545.46  412.125 14653.78  290.522  224.293   3.1815  225.197   2.2337 -0.9048462 3.887327 
1 1 1   11   10  -17 o  192.341   1.7644 10734.48  186.968 10836.14  232.471 10548.29  314.618  193.659   2.0785  191.022   2.8518 2.636703 3.528828 
1 1 1   11   11  -17 o   19.442   5.8372 -13.9206  114.615 -70.1927  150.912   62.780  176.188   16.761   7.5186   22.123   8.9311 -5.362312 11.67447 
1 1 1   11   12  -17 o   58.506   4.6224  978.737  137.594  961.554  159.695  1028.25  271.079   57.609   4.7998   59.404   7.9012 -1.795853 9.244800 
1 1 1   11   13  -17 o  175.321   1.6434  8881.66  166.382  9071.45  237.052  8697.38  233.585  177.167   2.3167  173.475   2.3314 3.692245 3.286764 
1 1 1   11   14  -17 o  185.302   1.6909  9918.30  180.435 10007.32  266.000  9842.42  245.569  186.066   2.4753  184.538   2.3041 1.527100 3.381725 
1 1 1   11   15  -17 o   64.136   4.7414  1158.35  146.282  1267.62  315.902  1128.52  165.043   65.870   8.3039   62.403   4.5794 3.467030 9.482874 
1 1 1   11   16  -17 o   93.066   3.1501  2473.86  143.251  2442.89  163.153  2578.09  299.294   91.899   3.0740   94.234   5.4993 -2.335068 6.300104 
1 1 1   11   17  -17 o  287.328   1.9084 23660.96  273.088 24290.46  553.131 23458.06  314.030  289.736   3.3055  284.920   1.9084 4.816376 3.816852 
1 1 1   11   18  -17 o  192.370   2.4218 10712.62  268.719 10662.87  389.592 10757.77  371.132  191.933   3.5146  192.808   3.3329 -0.8750000 4.843598 
1 1 1   11   19  -17 o  180.559   1.7395  9418.40  181.326  9689.13  260.893  9165.42  252.196  183.066   2.4676  178.051   2.4525 5.014969 3.479027 
1 1 1   11   20  -17 o  188.893   2.1617 10175.43  216.275 10690.61  399.076  9961.21  257.342  192.163   3.5958  185.623   2.4005 6.540451 4.323442 
1 1 1   11   21  -17 o  176.544   1.8114  9005.59  183.728  9077.11  274.713  8947.72  247.131  177.167   2.6848  175.922   2.4323 1.244415 3.622753 
1 1 1   11   22  -17 o  118.470   2.9417  4060.28  201.277   0.0000   0.0000  4060.28  201.277  ?   ?   118.470   2.9417      ?      ? 
1 1 1   11   23  -17 o  136.127   2.9527  5361.25  232.137  5361.25  232.137   0.0000   0.0000  136.127   2.9527  ?   ?       ?      ? 
1 1 1   11   24  -17 o  264.806   1.9546 20352.20  255.550 20415.08  293.511 20155.21  519.544  265.775   1.9122  263.836   3.4096 1.939423 3.909181 
1 1 1   11   25  -17 o  260.658   2.3620 19667.17  355.385 19469.24  493.537 19880.31  512.161  259.306   3.2955  262.009   3.3846 -2.703857 4.723951 
1 1 1   11   26  -17 o  121.762   2.6010  4122.78  146.566  4011.86  162.953  4592.59  335.353  117.776   2.3956  125.748   4.6176 -7.971565 5.202048 
1 1 1   11   27  -17 o   18.052   5.6787 -44.8945  107.394 -44.4884  126.378 -45.9500  203.730   15.686   6.9686   20.417   8.9683 -4.731043 11.35744 
1 1 1   11   28  -17 o  166.624   2.1935  8030.34  211.085  8030.34  211.085   0.0000   0.0000  166.624   2.1935  ?   ?       ?      ? 
1 1 1   11   29  -17 o  109.987   2.6311  3513.07  167.068  3581.54  234.653  3442.69  237.922  111.084   3.6575  108.890   3.7832 2.193954 5.262167 
1 1 1   11   30  -17 o  125.658   2.2218  4546.44  158.482  4755.08  250.634  4407.44  204.571  127.998   3.3904  123.318   2.8723 4.679710 4.443552 
1 1 1   11   31  -17 o   51.690   5.1304  782.134  153.159  782.134  153.159   0.0000   0.0000   51.690   5.1304  ?   ?       ?      ? 
1 1 1   11   32  -17 f   51.847   7.0427  843.820  202.347  877.885  302.863  816.354  271.949   52.661   10.327   51.033   9.5786 1.628014 14.08534 
1 1 1   11   33  -17 o  152.782   2.5713  6910.23  206.702  6550.21  375.479  7066.78  247.597  149.566   4.3468  155.999   2.7481 -6.433350 5.142652 
1 1 1   11   34  -17 o   49.201   7.0605  829.251  177.700  640.301  328.617  907.334  211.249   43.426   12.455   54.976   6.6533 -11.55013 14.12109 
1 1 1   11   35  -17 o   76.454   4.6305  1723.83  186.173  1664.33  220.199  1872.98  348.627   74.869   5.0924   78.038   7.7352 -3.168396 9.260984 
1 1 1   11   36  -17 o   13.537   6.6170 -296.1623  171.515   0.0000   0.0000 -296.1623  171.515  ?   ?    13.537   6.6170      ?      ? 
1 1 1   11   37  -17 o   21.084   6.3825   19.239  141.193 -68.7809  193.003  120.580  207.094   18.394   8.3529   23.773   9.6527 -5.379124 12.76504 
1 1 1   11   38  -17 o   51.929   5.2044  873.807  148.578  1035.98  206.274  698.945  214.192   57.954   6.1628   45.904   8.3882 12.04982 10.40876 
1 1 1   11   39  -17 o   24.029   6.3952  175.157  125.726 -171.0606  304.780  246.153  138.016   20.967   9.8544   27.091   8.1539 -6.123831 12.79039 
1 1 1   11   40  -17 o   68.611   4.2466  1453.16  164.303  1521.80  264.211  1409.89  209.803   69.415   6.5904   67.806   5.3574 1.608795 8.493247 
1 1 1   11   41  -17 o   56.265   4.5172  1004.67  144.789  816.187  201.527  1205.77  208.158   50.357   6.9292   62.173   5.7970 -11.81604 9.034377 
1 1 1   11   42  -17 o   40.413   6.5757  526.594  153.479   0.0000   0.0000  526.594  153.479  ?   ?    40.413   6.5757      ?      ? 
1 1 1   11   43  -17 o   30.120   6.5337  345.110  124.507  341.928  179.020  348.091  173.279   29.913   9.3407   30.328   9.1382 -0.4143372 13.06732 
1 1 1   11    0  -18 o  330.074   2.1580 31574.26  391.616 31776.34  485.503 31197.92  662.551  331.631   2.5352  328.517   3.4929 -0.000000 0.000000 
1 1 1   11    1  -18 o  315.409   2.2751 28778.23  389.911 28716.62  677.748 28808.71  476.699  315.092   3.7243  315.727   2.6143 -0.6342773 4.550251 
1 1 1   11    2  -18 o  245.617   1.9639 17472.68  264.070 17550.36  325.592 17323.39  451.413  246.452   2.2875  244.781   3.1931 1.670242 3.927895 
1 1 1   11    3  -18 o  191.974   1.4473 10669.67  157.540 10531.29  246.754 10764.89  204.686  190.912   2.2379  193.037   1.8360 -2.124649 2.894657 
1 1 1   11    4  -18 o  102.911   3.0021  3148.75  126.215  2947.35  323.958  3184.79  137.044  100.838   5.5626  104.985   2.2602 -4.147507 6.004279 
1 1 1   11    5  -18 o  181.501   2.0131  9360.95  176.698  9819.10  375.432  9230.59  200.265  184.256   3.5280  178.746   1.9399 5.510513 4.026148 
1 1 1   11    6  -18 f  280.604   2.0982 22771.38  314.477 22784.77  378.612 22741.61  564.729  280.797   2.3346  280.411   3.4871 0.3865356 4.196437 
1 1 1   11    7  -18 o  140.069   2.5412  5674.97  205.536  5687.88  293.705  5662.59  287.732  140.223   3.6267  139.915   3.5607 0.3076630 5.082458 
1 1 1   11    8  -18 o  189.679   1.5999 10396.83  175.262 10374.11  248.019 10419.49  247.698  189.472   2.2665  189.886   2.2586 -0.4143829 3.199750 
1 1 1   11    9  -18 o   68.706   4.2530  1398.39  130.189  1415.10  144.419  1325.92  300.766   69.939   3.5754   67.473   7.7181 2.465424 8.506020 
1 1 1   11   10  -18 o   18.320   6.1323 -216.4104  151.205 -184.4931  176.244 -305.4109  294.305   15.995   7.5100   20.644   9.6965 -4.648551 12.26467 
1 1 1   11   11  -18 o  122.439   2.5690  4219.81  162.904  4605.30  314.940  4079.00  190.345  126.100   4.3244  118.778   2.7747 7.321831 5.138055 
1 1 1   11   12  -18 o   37.918   5.8224  438.064  127.210  570.480  176.785  295.879  183.190   44.274   6.9137   31.562   9.3702 12.71170 11.64475 
1 1 1   11   13  -18 o   9.7656   4.9165 -396.0506  126.491   0.0000   0.0000 -396.0506  126.491  ?   ?    9.7656   4.9165      ?      ? 
1 1 1   11   14  -18 o  159.327   2.2201  7359.53  188.019  7301.81  340.001  7384.96  225.663  158.821   3.7067  159.833   2.4446 -1.011719 4.440234 
1 1 1   11   15  -18 o  156.388   1.6666  7069.46  150.510  7242.48  213.727  6899.23  211.990  158.288   2.3379  154.489   2.3759 3.799057 3.333287 
1 1 1   11   16  -18 o  199.686   2.0532 11456.94  206.597 11688.94  410.507 11378.25  239.082  200.954   3.5370  198.418   2.0863 2.535736 4.106497 
1 1 1   11   17  -18 o   26.180   6.6466  159.201  132.803   64.142  189.954  250.089  185.740   22.793   9.2482   29.567   9.5488 -6.773323 13.29316 
1 1 1   11   18  -18 o   75.454   4.3499  1687.94  175.416  1570.51  308.516  1744.04  213.239   73.367   7.2810   77.542   4.7615 -4.175598 8.699725 
1 1 1   11   19  -18 o   23.335   9.6416   48.074  211.217   0.0000   0.0000   48.074  211.217  ?   ?    23.335   9.6416      ?      ? 
1 1 1   11   20  -18 o  163.597   2.5827  7739.20  244.023   0.0000   0.0000  7739.20  244.023  ?   ?   163.597   2.5827      ?      ? 
1 1 1   11   21  -18 o  110.197   3.9789  3534.76  252.791  3434.34  365.231  3627.11  350.241  108.667   5.8195  111.727   5.4278 -3.059715 7.957852 
1 1 1   11   22  -18 o  144.728   2.9361  6060.24  245.418   0.0000   0.0000  6060.24  245.418  ?   ?   144.728   2.9361      ?      ? 
1 1 1   11   23  -18 o  215.847   1.6680 13466.31  207.447 13397.68  283.441 13545.47  304.431  215.264   2.2798  216.430   2.4355 -1.165375 3.336059 
1 1 1   11   24  -18 o  126.453   1.9145  4625.63  139.816  4680.27  198.931  4572.29  196.549  127.191   2.7081  125.715   2.7071 1.475716 3.829085 
1 1 1   11   25  -18 o   72.470   2.7882  1526.68  116.221  1567.86  158.646  1478.98  170.741   73.544   3.7351   71.397   4.1407 2.146324 5.576376 
1 1 1   11   26  -18 o  202.526   2.2716 11885.45  262.255 11906.17  344.454 11856.88  404.513  202.787   2.9411  202.264   3.4628 0.5223694 4.543224 
1 1 1   11   27  -18 o  136.579   3.2945  5406.52  259.870   0.0000   0.0000  5406.52  259.870  ?   ?   136.579   3.2945      ?      ? 
1 1 1   11   28  -18 o   77.046   3.4850  1722.17  155.074  1722.17  155.074   0.0000   0.0000   77.046   3.4850  ?   ?       ?      ? 
1 1 1   11   29  -18 o  130.256   3.2725  4922.68  246.188   0.0000   0.0000  4922.68  246.188  ?   ?   130.256   3.2725      ?      ? 
1 1 1   11   30  -18 o   91.219   3.2758  2416.22  172.582  2416.22  172.582   0.0000   0.0000   91.219   3.2758  ?   ?       ?      ? 
1 1 1   11   31  -18 o   77.871   3.1148  1761.48  140.084   0.0000   0.0000  1761.48  140.084  ?   ?    77.871   3.1148      ?      ? 
1 1 1   11   32  -18 o  121.745   3.2517  4350.90  228.377  4168.48  325.626  4527.50  320.384  119.177   4.7309  124.314   4.4624 -5.136467 6.503379 
1 1 1   11   33  -18 o   16.701   5.8674 -481.7168  177.107 -469.8872  206.989 -514.0465  342.185   13.764   6.8295   19.638   9.5427 -5.873408 11.73480 
1 1 1   11   34  -18 o   78.614   3.7461  1810.84  151.033  1897.20  292.611  1779.48  176.339   79.360   6.3841   77.868   3.9210 1.491707 7.492117 
1 1 1   11   35  -18 o   53.154   7.6368  940.519  225.117  786.311  296.756  1149.55  345.502   47.873   10.968   58.435   10.629 -10.56171 15.27353 
1 1 1   11   36  -18 o   28.760   7.6207  233.118  166.406  348.200  276.066  167.440  208.553   32.192   11.607   25.327   9.8777 6.865746 15.24142 
1 1 1   11   37  -18 o   27.697   10.239  242.258  216.793   0.0000   0.0000  242.258  216.793  ?   ?    27.697   10.239      ?      ? 
1 1 1   11   38  -18 o   40.742   6.0405  565.946  131.575  523.024  230.452  586.703  160.263   38.105   10.248   43.379   6.3969 -5.273937 12.08107 
1 1 1   11   39  -18 o   55.064   4.9588  959.047  155.993  1161.79  230.194  786.884  212.126   60.729   6.5632   49.399   7.4352 11.32964 9.917505 
1 1 1   11   40  -18 o   55.300   5.8629  934.835  149.043  1211.71  332.955  865.452  166.675   57.647   10.382   52.952   5.4501 4.695271 11.72586 
1 1 1   11   41  -18 o   34.245   7.1234  477.601  147.065  317.953  329.401  517.345  164.355   29.390   12.081   39.100   7.5515 -9.709827 14.24680 
1 1 1   11   42  -18 o   39.650   7.4017  615.740  167.127  650.925  283.163  596.932  207.033   39.048   11.663   40.252   9.1172 -1.203979 14.80348 
1 1 1   11    0  -19 o   99.782   3.2797  2886.55  188.543  2886.55  188.543   0.0000   0.0000   99.782   3.2797   99.782   3.2797 -0.000000 0.000000 
1 1 1   11    1  -19 o  186.886   1.3352 10091.38  144.105 10148.16  202.681 10033.34  204.926  187.418   1.8725  186.353   1.9040 1.064819 2.670495 
1 1 1   11    2  -19 o  128.709   1.7989  4816.00  130.587  4654.52  206.575  4923.48  168.533  126.888   2.8189  130.529   2.2356 -3.641136 3.597748 
1 1 1   11    3  -19 o   58.619   3.3870  986.822  112.850  949.313  145.884  1042.71  178.073   57.258   4.4115   59.979   5.1406 -2.721317 6.773993 
1 1 1   11    4  -19 o  108.750   1.9791  3416.84  124.260  3541.19  178.137  3298.98  173.419  110.677   2.7868  106.824   2.8109 3.853127 3.958234 
1 1 1   11    5  -19 o   94.649   2.4986  2627.29  128.096  2487.06  220.932  2698.30  157.218   92.689   4.1271   96.609   2.8177 -3.920105 4.997279 
1 1 1   11    6  -19 o  193.691   2.0837 10841.15  218.077 10866.39  383.617 10829.09  265.074  193.814   3.4271  193.569   2.3711 0.2444458 4.167387 
1 1 1   11    7  -19 o  205.824   1.9426 12383.69  195.036 11993.45  401.287 12504.38  223.167  203.613   3.4124  208.036   1.8574 -4.422760 3.885185 
1 1 1   11    8  -19 o  168.843   2.3395  8226.79  205.538  8292.19  387.009  8201.09  242.576  169.246   3.9593  168.439   2.4936 0.8060913 4.679088 
1 1 1   11    9  -19 o   86.542   2.6741  2155.95  132.030  2241.93  204.953  2094.96  172.620   87.994   4.0329   85.089   3.5126 2.905762 5.348141 
1 1 1   11   10  -19 o  190.984   1.9907 10591.20  208.896 10402.57  353.491 10692.43  258.948  189.631   3.2276  192.336   2.3311 -2.704849 3.981424 
1 1 1   11   11  -19 o  111.085   2.9938  3564.24  185.659  3534.66  233.809  3614.72  305.440  110.506   3.6634  111.663   4.7362 -1.156830 5.987693 
1 1 1   11   12  -19 o  168.924   1.6549  8220.55  154.560  8344.03  260.176  8153.21  192.138  169.877   2.6518  167.971   1.9806 1.906662 3.309832 
1 1 1   11   13  -19 o   41.132   7.3960  551.035  179.655  682.042  225.087  321.085  298.209   47.592   8.5010   34.673   12.105 12.91913 14.79205 
1 1 1   11   14  -19 o  122.352   1.9504  4322.08  133.562  4357.92  218.053  4300.55  168.969  122.736   3.0761  121.968   2.3987 0.7677155 3.900802 
1 1 1   11   15  -19 o  153.843   1.6439  6859.25  143.485  6937.83  186.804  6746.18  224.082  154.936   2.0876  152.750   2.5400 2.185822 3.287849 
1 1 1   11   16  -19 o  112.613   2.0733  3630.58  127.696  3553.67  156.324  3784.82  221.377  110.868   2.4414  114.358   3.3518 -3.490013 4.146671 
1 1 1   11   17  -19 o  149.771   2.5193  6520.27  174.348  6449.73  388.513  6538.06  195.095  149.149   4.5102  150.394   2.2461 -1.244736 5.038580 
1 1 1   11   18  -19 o  219.990   1.4664 14016.65  183.727 14167.76  241.304 13808.22  283.402  221.420   1.8870  218.560   2.2452 2.860214 2.932806 
1 1 1   11   19  -19 o   51.894   5.6988  826.112  153.318  729.349  265.518  874.514  187.788   48.956   9.7335   54.831   5.9300 -5.874821 11.39765 
1 1 1   11   20  -19 o  126.820   3.0129  4653.52  220.681   0.0000   0.0000  4653.52  220.681  ?   ?   126.820   3.0129      ?      ? 
1 1 1   11   21  -19 o  135.876   2.7334  5310.19  209.655  5170.21  267.777  5531.92  337.018  133.624   3.4698  138.128   4.2246 -4.504379 5.466876 
1 1 1   11   22  -19 o  170.822   2.4690  8499.88  224.570  8324.58  403.425  8578.58  270.325  169.440   4.1225  172.204   2.7181 -2.764359 4.937912 
1 1 1   11   23  -19 o   76.825   5.1664  1716.18  229.235   0.0000   0.0000  1716.18  229.235  ?   ?    76.825   5.1664      ?      ? 
1 1 1   11   24  -19 o  159.836   2.0855  7365.69  190.313  7588.42  294.071  7205.18  249.640  161.880   3.1454  157.792   2.7393 4.087723 4.171010 
1 1 1   11   25  -19 o   91.989   4.5313  2407.89  228.318  2684.56  399.933  2274.11  278.090   95.643   7.2402   88.335   5.4509 7.307678 9.062674 
1 1 1   11   26  -19 o   66.823   4.1318  1341.17  154.124  1490.67  201.512  1130.46  239.240   71.554   4.8762   62.091   6.6714 9.462719 8.263509 
1 1 1   11   27  -19 o  116.342   2.9572  4078.09  152.405  4163.06  169.212  3712.99  350.764  119.929   2.4430  112.755   5.3864 7.173599 5.914474 
1 1 1   11   28  -19 o  101.716   2.5463  2993.28  147.315  2938.92  191.532  3072.00  230.512  100.638   3.2953  102.794   3.8827 -2.156654 5.092614 
1 1 1   11   29  -19 o   51.110   4.2509  758.995  120.051  736.334  148.509  801.729  203.936   50.152   5.1272   52.068   6.7817 -1.915546 8.501706 
1 1 1   11   30  -19 o   96.746   2.4034  2753.49  123.453  2804.25  148.671  2640.77  221.558   98.337   2.6177   95.154   4.0316 3.182861 4.806876 
1 1 1   11   31  -19 o   34.873   5.9736  344.947  113.168  269.700  135.871  515.387  204.489   29.389   7.8544   40.356   9.0025 -10.96641 11.94725 
1 1 1   11   32  -19 o   54.834   6.2009  978.081  175.233  1059.25  215.818  821.031  300.197   59.554   6.2747   50.115   10.697 9.438320 12.40184 
1 1 1   11   33  -19 o   19.508   6.4884 -196.4638  173.481 -195.0086  210.419 -199.5522  306.542   17.314   8.1531   21.703   10.096 -4.389608 12.97677 
1 1 1   11   34  -19 o   75.832   4.0549  1749.46  139.077  1693.68  313.869  1763.09  155.138   74.111   7.3330   77.553   3.4637 -3.441505 8.109838 
1 1 1   11   35  -19 o   85.556   3.5296  2190.59  172.586  2179.93  228.161  2204.84  263.858   85.533   4.6187   85.578   5.3385 -0.4496002E-01 7.059193 
1 1 1   11   36  -19 o   41.003   6.5507  574.342  153.176  727.732  220.460  431.183  212.980   46.924   8.4454   35.081   10.016 11.84262 13.10141 
1 1 1   11   37  -19 o   14.970   5.3580 -969.3594  229.740 -1020.2920  326.750 -919.5635  323.084   14.768   7.4887   15.171   7.6649 -0.4033985 10.71592 
1 1 1   11   38  -19 o   69.674   4.1913  1505.35  168.512  1453.48  239.953  1555.82  236.705   68.368   6.0770   70.981   5.7741 -2.612526 8.382689 
1 1 1   11   39  -19 o   24.871   9.9501  176.463  216.547   0.0000   0.0000  176.463  216.547  ?   ?    24.871   9.9501      ?      ? 
1 1 1   11   40  -19 o   19.428   6.0115  -2.7283  127.106  128.610  204.851 -84.9461  162.078   22.912   9.4832   15.943   7.3905 6.968621 12.02293 
1 1 1   11   41  -19 o   23.215   6.3830  163.219  121.956  218.822  187.937  122.774  160.287   25.152   9.4857   21.278   8.5436 3.874088 12.76604 
1 1 1   11    0  -20 o  180.204   2.3847  9392.06  247.833  9494.35  357.798  9297.71  343.610  181.143   3.4228  179.266   3.3214 -0.000000 0.000000 
1 1 1   11    1  -20 o  150.585   2.1863  6555.71  158.132  6553.78  179.324  6562.48  335.322  150.599   2.0617  150.571   3.8560 0.2749634E-01 4.372566 
1 1 1   11    2  -20 o   67.743   3.4000  1358.56  129.829  1504.18  172.174  1166.64  197.666   72.074   4.1363   63.413   5.3972 8.660824 6.799905 
1 1 1   11    3  -20 o  147.898   1.7553  6317.11  149.696  6225.23  205.382  6421.24  218.644  146.755   2.4232  149.041   2.5401 -2.285553 3.510521 
1 1 1   11    4  -20 o  100.742   2.6510  2998.15  123.534  3040.28  138.689  2836.35  271.777  102.561   2.3414   98.923   4.7570 3.638428 5.301975 
1 1 1   11    5  -20 o   52.166   4.7657  817.529  134.531  874.203  167.130  713.226  226.734   54.894   5.2716   49.438   7.9409 5.455605 9.531395 
1 1 1   11    6  -20 o   10.915   5.5124 -637.5995  118.669 -553.0123  166.090 -725.8140  169.613   10.915   5.5124  ?   ?       ?      ? 
1 1 1   11    7  -20 o   29.059   6.8352  177.340  128.161   92.762  151.385  391.315  240.789   21.935   8.4542   36.184   10.743 -14.24957 13.67047 
1 1 1   11    8  -20 o  130.717   2.5732  4865.92  168.928  4786.33  194.721  5108.07  339.645  128.665   2.6204  132.770   4.4294 -4.104660 5.146434 
1 1 1   11    9  -20 o  130.029   2.0246  4892.60  151.835  4829.48  219.779  4950.23  210.007  129.221   2.9449  130.837   2.7792 -1.616745 4.049221 
1 1 1   11   10  -20 o   67.919   2.6532  1335.36  104.058  1368.39  148.090  1303.14  146.248   68.750   3.7297   67.088   3.7745 1.661224 5.306324 
1 1 1   11   11  -20 o  230.631   2.0057 15421.19  223.951 15453.04  254.936 15313.54  468.693  231.249   1.9088  230.013   3.5282 1.236526 4.011445 
1 1 1   11   12  -20 o   29.157   7.8853  177.985  184.222  224.037  233.520  102.093  299.775   29.792   10.683   28.523   11.601 1.269402 15.77053 
1 1 1   11   13  -20 o   52.516   4.5726  780.719  128.243  861.094  235.553  746.859  152.889   54.311   7.5096   50.722   5.2191 3.588547 9.145116 
1 1 1   11   14  -20 o  105.864   3.4851  3244.05  213.084   0.0000   0.0000  3244.05  213.084  ?   ?   105.864   3.4851      ?      ? 
1 1 1   11   15  -20 o   69.947   3.4102  1424.47  137.071  1480.90  187.081  1359.06  201.407   71.467   4.5325   68.427   5.0964 3.039650 6.820301 
1 1 1   11   16  -20 o   38.383   6.9902  455.664  150.156  409.946  263.642  477.613  182.680   37.081   11.294   39.685   8.2400 -2.604073 13.98047 
1 1 1   11   17  -20 o   65.311   3.5497  1242.09  131.362  1217.35  205.726  1259.13  170.689   64.726   5.5034   65.896   4.4850 -1.170158 7.099460 
1 1 1   11   18  -20 o  147.842   1.8882  6327.15  159.907  6367.21  213.321  6275.76  241.596  148.392   2.4891  147.293   2.8400 1.098892 3.776403 
1 1 1   11   19  -20 o  110.820   2.4729  3584.48  156.110  3751.99  207.359  3365.32  237.178  113.860   3.1533  107.779   3.8103 6.081444 4.945849 
1 1 1   11   20  -20 o   90.013   2.4443  2351.86  124.597  2317.36  195.778  2375.35  161.533   89.431   3.7905   90.594   3.0873 -1.163254 4.888648 
1 1 1   11   21  -20 o   59.200   4.2013  1033.50  139.499  964.877  221.634  1078.52  179.520   57.485   6.6757   60.915   5.1027 -3.430893 8.402561 
1 1 1   11   22  -20 o   74.121   3.5383  1603.50  150.355  1539.50  224.100  1655.89  202.764   72.737   5.3346   75.505   4.6497 -2.768517 7.076582 
1 1 1   11   23  -20 o  119.750   2.4371  4158.54  168.357  4233.01  233.872  4078.46  242.552  120.874   3.3501  118.625   3.5403 2.249817 4.874133 
1 1 1   11   24  -20 o  191.099   2.7347 10571.04  301.826   0.0000   0.0000 10571.04  301.826  ?   ?   191.099   2.7347      ?      ? 
1 1 1   11   25  -20 o   22.347   8.4701  108.059  150.326   0.0000   0.0000  108.059  150.326  ?   ?    22.347   8.4701      ?      ? 
1 1 1   11   26  -20 o   70.136   4.4275  1461.58  171.331  1376.86  283.597  1510.27  215.002   68.342   7.1850   71.930   5.1754 -3.588623 8.854928 
1 1 1   11   27  -20 o   41.398   6.6016  539.751  151.761  463.905  254.932  581.383  188.873   38.481   10.948   44.316   7.3795 -5.834980 13.20324 
1 1 1   11   28  -20 o   69.206   3.7035  1413.62  144.742  1456.05  187.796  1351.54  227.174   70.608   4.6052   67.803   5.8013 2.804657 7.406908 
1 1 1   11   29  -20 o   17.435   5.6013 -80.8101  112.845 -90.6087  135.443 -58.5712  204.048   14.999   6.8814   19.871   8.8399 -4.871730 11.20260 
1 1 1   11   30  -20 f   71.018   3.2641  1538.22  107.665  1582.25  121.635  1378.88  231.390   73.800   2.8538   68.237   5.8714 5.563232 6.528197 
1 1 1   11   31  -20 o   40.616   5.9806  524.893  137.322  601.377  185.784  432.784  203.879   44.628   7.2080   36.603   9.5453 8.024895 11.96113 
1 1 1   11   32  -20 o   30.570   6.8485  191.287  113.789  116.865  125.391  538.568  270.866   21.230   7.7969   39.910   11.261 -18.68013 13.69691 
1 1 1   11   33  -20 o   99.686   3.1371  2954.24  176.541  3008.90  228.241  2872.85  278.536  101.109   3.9086   98.263   4.9080 2.845490 6.274195 
1 1 1   11   34  -20 o   16.186   5.2534 -80.2725  107.365 -86.1779  134.730 -69.9976  177.717   14.738   6.7987   17.634   8.0106 -2.896167 10.50680 
1 1 1   11   35  -20 o   30.258   8.1388  191.727  180.713  573.431  359.582   62.742  209.028   38.440   13.300   22.076   9.3847 16.36411 16.27760 
1 1 1   11   36  -20 o   42.440   6.7374  619.999  159.524  672.614  246.638  582.156  209.167   43.654   9.9977   41.227   9.0342 2.426636 13.47481 
1 1 1   11   37  -20 o   32.788   6.8515  401.158  142.906  271.353  245.763  467.469  175.655   28.522   10.825   37.054   8.4016 -8.532637 13.70309 
1 1 1   11   38  -20 o   70.465   5.6671  1759.85  192.235  1346.59  362.244  1921.85  226.806   61.496   10.199   79.434   4.9438 -17.93767 11.33428 
1 1 1   11   39  -20 o   21.107   8.1819  123.364  142.421   0.0000   0.0000  123.364  142.421  ?   ?    21.107   8.1819      ?      ? 
1 1 1   11   40  -20 o   61.305   5.8063  1335.89  180.870  1132.72  309.272  1441.50  222.976   54.978   10.113   67.632   5.7085 -12.65341 11.61269 
1 1 1   11    0  -21 o   73.147   3.9221  1592.73  148.455  1617.97  177.586  1534.19  270.516   74.450   4.1598   71.845   6.6504 -0.000000 0.000000 
1 1 1   11    1  -21 o   31.444   6.4903  303.183  126.198  213.269  207.919  355.628  158.794   28.674   10.102   34.215   8.1519 -5.541510 12.98055 
1 1 1   11    2  -21 o  106.365   1.9450  3271.20  119.466  3256.40  167.537  3286.51  170.401  106.121   2.7335  106.609   2.7675 -0.4877625 3.889926 
1 1 1   11    3  -21 o   27.410   6.5426  187.508  137.876 -21.7203  216.928  329.314  178.588   21.809   9.4199   33.012   9.0821 -11.20361 13.08511 
1 1 1   11    4  -21 o   51.838   6.4961  934.335  138.456  1006.30  153.195  613.415  323.515   58.923   4.5016   44.753   12.187 14.17014 12.99227 
1 1 1   11    5  -21 o  161.651   2.2130  7711.92  177.901  7865.94  205.932  7258.84  353.191  164.973   2.1614  158.329   3.8624 6.642960 4.426051 
1 1 1   11    6  -21 o   13.341   4.6638 -420.3243  131.820 -374.3157  177.262 -477.2445  197.165   13.297   6.5454   13.385   6.6454 -0.8857441E-01 9.327594 
1 1 1   11    7  -21 o   86.583   2.5265  2169.94  126.139  2168.66  173.550  2171.38  183.652   86.562   3.4715   86.605   3.6717 -0.4267120E-01 5.052974 
1 1 1   11    8  -21 o  121.524   1.9484  4267.78  136.025  4299.19  203.452  4242.39  182.919  121.919   2.8894  121.128   2.6147 0.7906876 3.896840 
1 1 1   11    9  -21 o  214.033   2.1368 13343.60  237.578 13464.02  280.953 13041.37  445.076  215.823   2.2540  212.244   3.6309 3.579376 4.273623 
1 1 1   11   10  -21 o   89.202   2.6457  2267.07  135.112  2026.26  177.414  2599.58  208.476   83.657   3.6720   94.746   3.8098 -11.08940 5.291354 
1 1 1   11   11  -21 f  109.462   2.9085  3471.54  167.289  3471.34  309.175  3471.62  198.924  109.384   4.8940  109.539   3.1444 -0.1546707 5.817071 
1 1 1   11   12  -21 o  141.439   2.6517  5653.73  170.887  6021.40  395.018  5569.08  189.542  144.082   4.7470  138.795   2.3645 5.286301 5.303338 
1 1 1   11   13  -21 o  155.971   2.3325  7021.68  194.387  7088.81  349.741  6991.67  233.831  156.445   3.8708  155.496   2.6037 0.9487762 4.665037 
1 1 1   11   14  -21 o  102.175   2.6589  3039.74  155.701  2869.30  231.139  3181.34  210.671   99.517   4.0215  104.832   3.4796 -5.314796 5.317886 
1 1 1   11   15  -21 o   78.684   4.6307  1915.27  148.913  1647.25  372.698  1966.19  162.443   74.953   8.6096   82.416   3.4127 -7.463120 9.261342 
1 1 1   11   16  -21 o   83.520   2.6947  2021.75  128.290  2013.57  197.837  2027.68  168.525   83.353   4.1096   83.687   3.4868 -0.3338623 5.389464 
1 1 1   11   17  -21 o   78.456   3.0055  1785.39  135.054  1778.57  204.384  1790.68  179.934   78.302   4.5195   78.609   3.9633 -0.3071518 6.011083 
1 1 1   11   18  -21 o   54.293   4.4146  859.837  136.558  853.500  210.705  864.427  179.314   54.080   6.7461   54.507   5.6961 -0.4271278 8.829231 
1 1 1   11   19  -21 o   43.593   6.1212  517.361  137.894  428.721  162.152  748.929  262.087   37.590   7.7273   49.596   9.4956 -12.00693 12.24245 
1 1 1   11   20  -21 o  132.615   1.9952  5151.17  148.684  5382.54  191.926  4803.89  235.135  136.420   2.4360  128.810   3.1607 7.609787 3.990481 
1 1 1   11   21  -21 o   99.665   2.9462  2891.26  169.053  3094.13  236.214  2678.25  242.046  103.284   3.9599   96.047   4.3635 7.236946 5.892441 
1 1 1   11   22  -21 o  105.001   3.5906  3068.27  192.636  3514.03  384.339  2918.72  222.618  109.694   6.0666  100.308   3.8427 9.386086 7.181252 
1 1 1   11   23  -21 f   77.002   3.1401  1730.89  134.056  1697.20  222.180  1750.18  168.104   76.337   5.0395   77.667   3.7476 -1.330063 6.280211 
1 1 1   11   24  -21 o   41.610   5.6804  526.099  130.441  512.893  172.269  543.844  199.697   41.100   7.5351   42.120   8.5022 -1.020176 11.36070 
1 1 1   11   25  -21 o  106.415   2.2228  3286.91  136.481  3171.89  194.901  3397.57  191.180  104.575   3.2270  108.256   3.0578 -3.680542 4.445642 
1 1 1   11   26  -21 o  112.294   3.8848  3632.75  241.341  3908.04  410.628  3487.48  298.301  115.279   6.1675  109.308   4.7252 5.971680 7.769540 
1 1 1   11   27  -21 o   57.264   6.6580  954.195  200.981  865.152  240.489  1160.41  365.978   53.844   7.7334   60.683   10.840 -6.839314 13.31597 
1 1 1   11   28  -21 o   71.899   4.6199  1589.91  153.681  1437.86  331.744  1631.45  173.410   69.026   8.3216   74.773   4.0156 -5.746964 9.239767 
1 1 1   11   29  -21 o   45.868   6.2468  666.281  160.315  529.475  233.192  788.887  220.758   40.544   10.017   51.191   7.4668 -10.64698 12.49368 
1 1 1   11   30  -21 o   97.670   2.4383  2775.17  137.264  2924.57  202.165  2647.40  186.966  100.086   3.4974   95.255   3.3985 4.831787 4.876667 
1 1 1   11   31  -21 o  107.558   2.3287  3385.33  144.332  3487.49  199.488  3273.12  209.083  109.313   3.1598  105.803   3.4216 3.509361 4.657467 
1 1 1   11   32  -21 o   41.837   6.2244  632.759  154.530  235.615  237.646  923.701  203.404   28.532   10.685   55.141   6.3870 -26.60908 12.44873 
1 1 1   11   33  -21 o   25.370   7.9561  205.218  129.726  205.218  129.726   0.0000   0.0000   25.370   7.9561  ?   ?       ?      ? 
1 1 1   11   34  -21 o   14.772   5.2717 -394.1276  143.116 -746.7013  349.367 -323.0329  156.883   17.319   8.6387   12.225   6.0444 5.093997 10.54331 
1 1 1   11   35  -21 o   71.178   3.9925  1548.54  163.956  1642.66  237.620  1463.01  226.517   73.260   5.6160   69.096   5.6762 4.164131 7.984948 
1 1 1   11   36  -21 o   16.772   5.5396 -100.0865  124.862 -213.9016  233.018 -54.2438  147.885   17.486   8.3343   16.059   7.2998 1.426828 11.07915 
1 1 1   11   37  -21 o   28.590   7.7653  218.568  144.328  454.778  346.218  168.885  158.783   33.677   12.833   23.503   8.7475 10.17439 15.53052 
1 1 1   11   38  -21 o   30.496   7.7120  334.315  157.975  392.123  314.926  314.878  182.613   31.514   12.180   29.479   9.4626 2.035246 15.42409 
1 1 1   11   39  -21 o   31.455   7.2959  345.317  155.210  206.231  195.876  579.996  254.435   24.916   9.6128   37.994   10.978 -13.07805 14.59184 
1 1 1   11   40  -21 o   17.687   5.5830  -7.3169  118.988 -90.7199  177.842   60.275  160.100   16.303   7.6191   19.070   8.1626 -2.767088 11.16592 
1 1 1   11    0  -22 o   38.648   9.1020  492.644  162.749  419.974  187.590  713.819  327.266   33.735   10.898   43.561   14.581 -0.000000 0.000000 
1 1 1   11    1  -22 o  100.571   2.6022  2927.19  150.291  2917.56  201.934  2939.15  225.023  100.399   3.4825  100.743   3.8675 -0.3436661 5.204370 
1 1 1   11    2  -22 o  166.876   2.3178  8070.46  207.494  8091.57  250.860  8024.72  369.200  167.286   2.5965  166.465   3.8402 0.8200531 4.635601 
1 1 1   11    3  -22 o  133.493   2.3996  5151.74  185.005   0.0000   0.0000  5151.74  185.005  ?   ?   133.493   2.3996      ?      ? 
1 1 1   11    4  -22 o  121.449   2.0195  4294.06  139.283  4103.75  215.089  4431.49  182.783  119.098   3.1270  123.801   2.5564 -4.703072 4.038978 
1 1 1   11    5  -22 o   63.442   4.9877  1148.48  136.539  1136.07  149.344  1211.67  337.030   62.619   4.1294   64.265   9.0805 -1.645081 9.975393 
1 1 1   11    6  -22 o  120.765   1.9257  4229.98  133.784  4053.37  195.641  4385.10  183.356  118.382   2.8615  123.149   2.5780 -4.767464 3.851490 
1 1 1   11    7  -22 o  100.183   3.5258  2899.90  191.714  2949.02  335.395  2876.06  233.647  100.729   5.7653   99.637   4.0603 1.091301 7.051516 
1 1 1   11    8  -22 o  127.163   1.8865  4640.11  120.199  4604.23  138.665  4748.58  241.070  126.225   1.9021  128.101   3.2584 -1.875328 3.772972 
1 1 1   11    9  -22 o   20.429   9.0062 -57.1059  207.159 -57.1059  207.159   0.0000   0.0000   20.429   9.0062  ?   ?       ?      ? 
1 1 1   11   10  -22 o  210.666   1.6047 12815.21  189.204 12884.21  308.688 12773.68  239.456  211.093   2.5320  210.238   1.9721 0.8545074 3.209379 
1 1 1   11   11  -22 o  125.300   3.1418  4553.99  225.960  4571.03  303.504  4532.80  338.457  125.592   4.1842  125.009   4.6879 0.5826797 6.283646 
1 1 1   11   12  -22 o  267.327   2.0970 20634.52  302.039 20784.19  534.838 20564.43  365.986  267.951   3.4561  266.703   2.3760 1.247650 4.194026 
1 1 1   11   13  -22 o   58.072   3.8982  975.098  130.087  846.790  177.768  1123.02  190.873   53.967   5.7035   62.177   5.3154 -8.209892 7.796350 
1 1 1   11   14  -22 o   96.301   3.7257  2700.23  199.944  2717.69  252.134  2670.67  328.201   96.798   4.5100   95.804   5.9316 0.9943924 7.451476 
1 1 1   11   15  -22 o  112.262   2.1437  3727.26  130.085  3889.95  160.116  3411.35  223.116  115.989   2.3902  108.535   3.5594 7.454185 4.287471 
1 1 1   11   16  -22 o  209.580   1.8103 12693.74  219.118 12693.74  219.118   0.0000   0.0000  209.580   1.8103  ?   ?       ?      ? 
1 1 1   11   17  -22 o  198.735   2.1022 11547.49  203.275 11650.20  232.304 11211.85  419.940  200.759   2.0035  196.712   3.6963 4.046600 4.204408 
1 1 1   11   18  -22 o   95.148   2.7644  2624.15  151.059  2619.30  203.105  2630.15  225.981   95.069   3.6991   95.226   4.1089 -0.1571045 5.528702 
1 1 1   11   19  -22 o  102.867   2.1593  3062.20  126.935  3073.55  194.267  3053.75  167.680  103.014   3.2652  102.720   2.8265 0.2940903 4.318638 
1 1 1   11   20  -22 o  140.993   2.2503  5747.90  180.792  5819.61  280.251  5696.79  236.611  141.712   3.4242  140.275   2.9206 1.436234 4.500528 
1 1 1   11   21  -22 o  126.071   2.5348  4655.58  166.150  4717.89  196.851  4501.23  309.821  127.671   2.6697  124.472   4.3098 3.198166 5.069646 
1 1 1   11   22  -22 o   52.283   5.8125  780.570  168.055  905.448  290.171  717.543  206.148   55.179   9.1052   49.386   7.2275 5.793137 11.62505 
1 1 1   11   23  -22 o   44.429   8.1241  563.291  169.568  700.167  416.059  536.027  185.689   46.951   14.163   41.908   7.9632 5.043095 16.24814 
1 1 1   11   24  -22 o   28.241   8.6217  239.694  153.508   0.0000   0.0000  239.694  153.508  ?   ?    28.241   8.6217      ?      ? 
1 1 1   11   25  -22 o   93.584   2.6672  2537.54  130.260  2524.28  154.001  2570.86  244.188   93.300   2.8580   93.867   4.5043 -0.5664368 5.334482 
1 1 1   11   26  -22 o   75.565   4.2663  1663.48  146.596  1650.49  162.947  1718.61  335.765   75.290   3.7474   75.841   7.6656 -0.5512543 8.532535 
1 1 1   11   27  -22 o   81.931   2.7698  1957.05  125.558  1952.84  156.532  1964.65  210.262   81.929   3.3081   81.932   4.4434 -0.3196716E-02 5.539656 
1 1 1   11   28  -22 o   81.587   4.3430  2127.63  166.414  1715.45  340.390  2257.09  190.766   75.258   7.8314   87.916   3.7571 -12.65810 8.685976 
1 1 1   11   29  -22 o   68.198   4.8376  1398.37  166.268  1408.04  326.762  1394.99  193.140   67.649   8.3635   68.746   4.8645 -1.097710 9.675263 
1 1 1   11   30  -22 o   31.209   7.0083  338.012  145.151   69.350  316.129  409.781  163.392   26.651   11.440   35.766   8.0983 -9.114336 14.01660 
1 1 1   11   31  -22 o   86.096   2.7470  2175.43  132.362  2153.04  167.350  2212.83  216.313   85.709   3.3808   86.483   4.3308 -0.7744217 5.494094 
1 1 1   11   32  -22 o   49.915   6.6553  895.963  155.220  690.267  316.056  961.346  178.190   43.398   12.136   56.432   5.4673 -13.03335 13.31060 
1 1 1   11   33  -22 o   27.051   6.9739  236.747  136.650  280.958  152.400   55.413  308.647   28.989   8.5310   25.113   11.035 3.875622 13.94776 
1 1 1   11   34  -22 o   82.818   4.1585  2083.73  189.697  2205.80  323.469  2019.74  234.198   83.903   6.6753   81.733   4.9613 2.169991 8.317086 
1 1 1   11   35  -22 o   50.508   7.8951  948.133  224.816  825.732  317.733  1070.85  318.143   46.403   11.822   54.614   10.467 -8.210464 15.79027 
1 1 1   11   36  -22 o   34.145   6.6446  478.116  133.200  145.731  355.064  532.554  143.694   26.982   11.846   41.308   6.0231 -14.32652 13.28920 
1 1 1   11   37  -22 o   14.913   5.2323 -313.9323  143.604 -655.8315  317.385 -225.9210  161.030   16.315   8.1525   13.511   6.5609 2.804174 10.46462 
1 1 1   11   38  -22 f   25.961   6.6998  250.032  140.064 -182.1298  369.576  322.515  151.355   21.867   10.443   30.054   8.3961 -8.187180 13.39963 
1 1 1   11   39  -22 o   13.589   4.8804 -642.4686  169.624 -685.1336  209.897 -562.1541  287.983   11.620   5.9037   15.558   7.7730 -3.937787 9.760767 
1 1 1   11    0  -23 o  223.865   2.3951 14489.58  309.208 14687.41  448.488 14310.35  426.883  225.314   3.4483  222.416   3.3249 -0.000000 0.000000 
1 1 1   11    1  -23 o  167.342   1.9215  8092.51  185.704  8092.51  185.704   0.0000   0.0000  167.342   1.9215  ?   ?       ?      ? 
1 1 1   11    2  -23 o  167.446   2.2143  8105.00  210.162  8150.41  331.051  8074.35  272.001  167.807   3.4158  167.084   2.8187 0.7234650 4.428670 
1 1 1   11    3  -23 o   65.574   4.1087  1252.03  155.230  1284.06  213.959  1216.44  225.556   66.479   5.5727   64.670   6.0390 1.808449 8.217317 
1 1 1   11    4  -23 o   68.444   4.4566  1358.14  176.166   0.0000   0.0000  1358.14  176.166  ?   ?    68.444   4.4566      ?      ? 
1 1 1   11    5  -23 o   70.284   3.9971  1432.66  150.663  1427.67  181.870  1443.59  268.983   70.172   4.4876   70.397   6.6159 -0.2248077 7.994245 
1 1 1   11    6  -23 o   58.919   5.0760  1089.53  154.122  1214.17  187.380  828.847  270.982   64.679   5.0162   53.159   8.8262 11.51993 10.15207 
1 1 1   11    7  -23 o  104.932   2.3178  3207.51  136.425  3278.17  174.419  3096.15  218.956  106.459   2.8368  103.405   3.6663 3.054413 4.635648 
1 1 1   11    8  -23 o   35.198   7.4685  374.978  163.161  309.955  265.100  414.628  207.014   33.528   11.426   36.869   9.6203 -3.340508 14.93695 
1 1 1   11    9  -23 o  161.549   2.8713  7560.19  267.840  7662.10  383.485  7463.13  374.250  162.608   4.0834  160.489   4.0377 2.118896 5.742552 
1 1 1   11   10  -23 o  104.775   2.9468  3172.80  164.394  3158.62  197.203  3205.08  297.637  104.467   3.2685  105.084   4.9042 -0.6166153 5.893567 
1 1 1   11   11  -23 o   81.235   3.7670  1959.40  162.843  2031.29  197.444  1806.49  287.970   83.719   4.0835   78.751   6.3315 4.967491 7.534098 
1 1 1   11   12  -23 o   38.483   8.3417  450.604  180.052  450.604  180.052   0.0000   0.0000   38.483   8.3417  ?   ?       ?      ? 
1 1 1   11   13  -23 o   38.018   7.6796  361.309  147.570  305.469  163.750  602.716  340.473   31.741   8.6819   44.294   12.670 -12.55284 15.35922 
1 1 1   11   14  -23 o   90.795   3.5847  2398.70  178.684  2384.04  303.660  2406.46  220.995   90.495   5.8100   91.095   4.2005 -0.5994797 7.169425 
1 1 1   11   15  -23 o  187.131   2.1150 10096.30  195.349 10060.68  223.971 10209.56  399.377  186.552   2.0788  187.710   3.6839 -1.157379 4.229967 
1 1 1   11   16  -23 f  138.797   2.4477  5543.61  192.185  5403.05  246.528  5761.37  306.849  136.609   3.1246  140.984   3.7685 -4.374405 4.895410 
1 1 1   11   17  -23 o  214.350   2.3143 13306.31  267.731 13312.48  471.695 13303.38  325.189  214.273   3.8116  214.429   2.6258 -0.1560669 4.628551 
1 1 1   11   18  -23 o   82.508   4.5048  1977.82  214.664  1977.82  214.664   0.0000   0.0000   82.508   4.5048  ?   ?       ?      ? 
1 1 1   11   19  -23 o   69.381   4.5065  1400.25  178.601  1462.32  276.090  1355.57  234.207   70.638   6.7675   68.124   5.9527 2.514099 9.012945 
1 1 1   11   20  -23 o  176.986   2.5664  9066.59  262.329  9066.59  262.329   0.0000   0.0000  176.986   2.5664  ?   ?       ?      ? 
1 1 1   11   21  -23 o   62.404   3.7141  1133.28  131.627  1118.49  170.745  1154.93  206.650   61.962   4.7713   62.847   5.6933 -0.8843956 7.428278 
1 1 1   11   22  -23 o   14.331   5.1088 -663.1065  163.699 -752.8676  203.832 -500.0347  274.738   11.529   5.8535   17.133   8.3748 -5.603659 10.21769 
1 1 1   11   23  -23 o   51.278   7.2742  810.776  187.726  814.922  365.759  809.294  218.734   50.278   12.616   52.277   7.2447 -1.998459 14.54848 
1 1 1   11   24  -23 o  115.775   2.8841  3903.15  189.843  3924.09  295.988  3888.51  247.444  115.947   4.4201  115.604   3.7061 0.3431778 5.768239 
1 1 1   11   25  -23 o   16.372   5.4615 -185.5762  131.292 -138.7615  164.511 -267.6996  217.891   15.883   7.3908   16.861   8.0428 -0.9774837 10.92294 
1 1 1   11   26  -23 o   53.060   4.9788  851.229  135.678  821.682  256.500  862.708  159.875   51.976   8.5448   54.144   5.1126 -2.168163 9.957519 
1 1 1   11   27  -23 o   28.656   7.5975  137.477  157.240   40.358  182.618  415.878  309.193   21.134   8.8664   36.178   12.340 -15.04417 15.19505 
1 1 1   11   28  -23 o   12.055   4.2211 -327.6350  107.155 -290.8929  137.681 -384.0816  170.652   11.557   5.7043   12.553   6.2235 -0.9952192 8.442257 
1 1 1   11   29  -23 o   49.538   4.6510  708.380  120.655  662.027  141.380  832.636  231.476   47.147   5.1921   51.929   7.7181 -4.781292 9.302036 
1 1 1   11   30  -23 o   57.291   4.4644  973.517  147.719   0.0000   0.0000  973.517  147.719  ?   ?    57.291   4.4644      ?      ? 
1 1 1   11   31  -23 o   27.575   8.0337  181.986  196.702   95.637  373.440  215.141  231.404   27.836   12.186   27.314   10.471 0.5216103 16.06735 
1 1 1   11   32  -23 o   29.772   6.9442  306.777  148.974  137.602  242.158  409.790  188.963   25.039   10.333   34.506   9.2801 -9.466921 13.88838 
1 1 1   11   33  -23 f   62.734   5.6885  1412.24  148.245  1509.19  167.093  1053.77  321.310   71.166   4.0654   54.302   10.626 16.86409 11.37692 
1 1 1   11   34  -23 o   55.229   4.2683  960.593  132.553  1021.47  173.132  874.362  206.053   57.887   5.1786   52.572   6.7864 5.314716 8.536575 
1 1 1   11   35  -23 o   29.069   5.2679  274.554   82.917  261.949   98.256  305.737  154.546   28.473   6.1544   29.664   8.5514 -1.190689 10.53583 
1 1 1   11   36  -23 o   78.489   3.4259  1867.88  151.411  1945.39  244.374  1819.58  192.898   79.348   5.3326   77.630   4.3024 1.717178 6.851773 
1 1 1   11   37  -23 o   19.347   6.2130 -22.6917  146.231   11.877  238.441 -43.5315  185.133   20.904   9.4079   17.789   8.1177 3.115168 12.42595 
1 1 1   11   38  -23 f   16.838   5.7137 -148.5393  144.366 -229.9472  279.000 -118.7732  168.707   18.301   8.8260   15.375   7.2585 2.925577 11.42740 
1 1 1   11    0  -24 o  102.731   4.0135  3091.59  235.840  2981.79  342.066  3191.08  325.599  100.919   5.9154  104.543   5.4260 -0.000000 0.000000 
1 1 1   11    1  -24 o  108.501   3.2952  3419.55  197.914  3431.24  247.166  3398.65  330.396  108.830   3.9324  108.172   5.2885 0.6585464 6.590316 
1 1 1   11    2  -24 o   37.988   6.9167  465.933  146.574  292.460  293.348  523.653  169.211   33.603   11.981   42.372   6.9145 -8.769279 13.83341 
1 1 1   11    3  -24 o  129.315   2.7674  4820.09  169.286  4887.19  367.677  4802.04  190.702  129.765   4.9060  128.865   2.5623 0.8992920 5.534809 
1 1 1   11    4  -24 o  154.064   2.1593  6842.04  173.419  6927.58  325.881  6808.25  204.830  154.669   3.6481  153.460   2.3111 1.208923 4.318559 
1 1 1   11    5  -24 o  133.486   2.3588  5156.93  181.834  5095.79  255.119  5220.06  259.234  132.683   3.3292  134.290   3.3424 -1.606888 4.717589 
1 1 1   11    6  -24 o   61.882   4.3074  1120.40  153.056  997.807  218.779  1237.91  214.201   58.518   6.4734   65.246   5.6843 -6.728458 8.614877 
1 1 1   11    7  -24 o  109.526   3.1662  3445.55  174.372  3411.14  201.450  3548.33  348.210  108.563   3.2129  110.489   5.4568 -1.926590 6.332396 
1 1 1   11    8  -24 o  139.539   2.0023  5601.87  156.548  5759.03  256.026  5508.02  197.841  141.065   3.1425  138.014   2.4820 3.051285 4.004506 
1 1 1   11    9  -24 f  130.287   2.9332  4859.89  210.750  4721.46  260.007  5125.03  359.850  127.687   3.5258  132.887   4.6887 -5.200493 5.866445 
1 1 1   11   10  -24 o   92.382   3.9919  2497.26  189.833  2451.02  360.967  2514.94  223.190   91.630   6.8209   93.135   4.1493 -1.504372 7.983863 
1 1 1   11   11  -24 o   53.633   4.3527  837.537  134.545  827.281  183.937  849.339  197.319   53.294   5.9759   53.972   6.3302 -0.6776123 8.705300 
1 1 1   11   12  -24 o  149.053   1.9135  6387.69  156.313  6303.47  192.140  6552.53  268.802  147.651   2.2532  150.455   3.0934 -2.804092 3.827037 
1 1 1   11   13  -24 o   65.802   5.3717  1284.61  175.606  1300.11  202.931  1238.40  350.389   66.857   5.2555   64.747   9.3701 2.110046 10.74333 
1 1 1   11   14  -24 o  203.208   2.1228 11878.34  215.584 11803.88  248.487 12104.95  433.519  202.053   2.1294  204.363   3.6730 -2.309784 4.245612 
1 1 1   11   15  -24 o   86.727   4.4703  2254.29  202.998  2057.66  367.806  2340.42  243.432   83.714   7.6074   89.740   4.6969 -6.026123 8.940535 
1 1 1   11   16  -24 o  143.158   1.9973  5949.50  163.078  6043.68  215.286  5822.69  249.798  144.520   2.5793  141.796   3.0503 2.724640 3.994623 
1 1 1   11   17  -24 o  197.979   2.1137 11502.62  205.158 11640.97  235.441 11066.17  418.168  200.642   2.0318  195.316   3.7070 5.325439 4.227317 
1 1 1   11   18  -24 o   90.533   3.9140  2423.33  190.327  2479.47  231.734  2306.98  333.632   92.352   4.3447   88.713   6.5117 3.638824 7.828060 
1 1 1   11   19  -24 o  120.574   2.8806  4159.71  190.292  4024.77  232.861  4430.98  330.160  117.790   3.4230  123.358   4.6341 -5.568810 5.761261 
1 1 1   11   20  -24 o   75.629   3.5487  1607.69  148.902  1462.91  183.128  1890.16  255.791   70.873   4.4739   80.384   5.5097 -9.511337 7.097385 
1 1 1   11   21  -24 o  124.342   2.7466  4334.85  163.102  4214.75  183.412  4788.83  356.591  120.613   2.6330  128.071   4.8210 -7.458267 5.493119 
1 1 1   11   22  -24 o   91.401   3.3666  2441.90  177.689  2428.39  253.132  2455.02  249.487   91.141   4.8089   91.661   4.7128 -0.5205383 6.733202 
1 1 1   11   23  -24 o  137.231   2.7638  5595.66  166.019  5655.15  183.249  5323.19  392.172  139.723   2.2709  134.740   5.0396 4.983368 5.527600 
1 1 1   11   24  -24 o   29.671   10.243  255.880  213.246  255.880  213.246   0.0000   0.0000   29.671   10.243  ?   ?       ?      ? 
1 1 1   11   25  -24 o   44.872   7.2127  689.752  173.130  505.768  323.578  763.550  204.932   39.300   12.594   50.444   7.0342 -11.14407 14.42532 
1 1 1   11   26  -24 o   21.373   6.8631 -44.7938  154.498  -3.4761  171.710 -220.4524  354.047   19.300   8.3585   23.447   10.888 -4.147017 13.72610 
1 1 1   11   27  -24 o  116.274   1.9024  3935.08  126.958  3942.91  170.435  3925.32  190.294  116.454   2.5341  116.094   2.8381 0.3599548 3.804775 
1 1 1   11   28  -24 o   26.801   7.4427  181.379  168.662  260.925  192.649 -79.7188  349.026   28.784   9.7410   24.819   11.256 3.965765 14.88549 
1 1 1   11   29  -24 o   61.731   3.6323  1144.10  128.982  1113.92  189.470  1170.17  176.080   60.857   5.3907   62.605   4.8698 -1.747700 7.264607 
1 1 1   11   30  -24 o   23.655   6.3509  149.647  119.414  121.641  161.114  183.786  177.881   22.261   8.6819   25.049   9.2714 -2.787493 12.70174 
1 1 1   11   31  -24 o   63.660   4.0008  1219.39  140.568  1175.71  173.687  1302.30  239.317   62.515   4.8106   64.805   6.3941 -2.290417 8.001666 
1 1 1   11   32  -24 o   34.788   6.6962  437.188  136.049  369.520  237.527  470.228  165.972   31.992   10.816   37.583   7.8973 -5.591095 13.39247 
1 1 1   11   33  -24 o   31.090   8.3669  333.652  220.494  501.169  301.127  140.018  323.752   35.681   12.178   26.499   11.477 9.182055 16.73381 
1 1 1   11   34  -24 o   60.160   5.1005  1213.85  164.698  998.147  270.864  1340.38  207.455   54.377   8.6248   65.944   5.4471 -11.56660 10.20093 
1 1 1   11   35  -24 o   16.629   5.6418 -118.0293  125.007 -70.1174  136.817 -360.1707  307.576   14.867   6.8557   18.392   8.9620 -3.525203 11.28357 
1 1 1   11   36  -24 o   16.478   5.3055 -58.1414  110.766 -119.7563  146.673   23.638  168.977   14.310   6.7594   18.646   8.1795 -4.336459 10.61104 
1 1 1   11   37  -24 f   46.547   5.6911  762.402  147.959  847.604  205.656  670.981  213.030   50.358   7.0711   42.737   8.9192 7.621468 11.38212 
1 1 1   11    0  -25 o   65.867   4.7903  1277.76  175.974  1143.59  231.034  1463.15  271.584   61.723   6.6791   70.010   6.8685 -0.000000 0.000000 
1 1 1   11    1  -25 o  137.938   2.0234  5502.90  155.491  5511.94  256.314  5497.63  195.593  137.994   3.2161  137.883   2.4562 0.1112213 4.046722 
1 1 1   11    2  -25 o  118.493   1.9229  4058.12  127.146  4074.23  208.883  4048.64  160.253  118.654   3.0482  118.332   2.3449 0.3215790 3.845737 
1 1 1   11    3  -25 o   95.782   3.7496  2699.27  195.057  2766.65  239.960  2568.03  334.898   97.676   4.2537   93.888   6.1762 3.788536 7.499237 
1 1 1   11    4  -25 o  176.879   1.7350  9052.15  173.339  9024.07  275.324  9070.58  223.105  176.625   2.6990  177.132   2.1809 -0.5069733 3.469988 
1 1 1   11    5  -25 o   50.506   4.1501  750.374  119.471  803.315  160.311  684.242  179.173   52.569   5.2801   48.442   6.4042 4.127266 8.300233 
1 1 1   11    6  -25 o  125.348   2.7587  4375.52  155.187  4275.45  171.034  4841.70  369.147  121.591   2.4355  129.104   4.9508 -7.512901 5.517432 
1 1 1   11    7  -25 o  104.226   2.7381  3142.72  164.819  3142.72  164.819   0.0000   0.0000  104.226   2.7381  ?   ?       ?      ? 
1 1 1   11    8  -25 o  115.990   2.2832  3851.22  138.962  3791.39  164.450  4000.61  259.865  114.494   2.4869  117.485   3.8298 -2.991142 4.566451 
1 1 1   11    9  -25 o   67.993   4.7478  1385.88  179.871  1194.56  282.921  1515.68  233.029   63.831   7.6745   72.156   5.5918 -8.324783 9.495570 
1 1 1   11   10  -25 o  149.197   2.6130  6447.11  212.136  6464.68  368.017  6438.38  259.605  149.258   4.2692  149.136   3.0140 0.1218719 5.225932 
1 1 1   11   11  -25 o  153.532   2.6053  6846.08  213.184  6797.88  383.641  6867.61  256.417  153.029   4.3408  154.036   2.8823 -1.007858 5.210567 
1 1 1   11   12  -25 o  104.805   3.5937  3223.72  204.507  3280.34  251.031  3111.98  352.641  106.323   4.0880  103.286   5.9116 3.036888 7.187408 
1 1 1   11   13  -25 o  137.369   2.7455  5558.27  186.806  5640.60  215.570  5310.05  374.312  139.608   2.6736  135.130   4.7962 4.478821 5.491058 
1 1 1   11   14  -25 o  100.067   4.2122  2957.37  235.228  2791.21  379.629  3060.92  299.693   97.602   6.7347  102.532   5.0610 -4.929733 8.424306 
1 1 1   11   15  -25 o   26.872   6.2058  211.965  112.684  262.611  138.630  113.340  193.453   29.353   7.9716   24.391   9.5132 4.961395 12.41160 
1 1 1   11   16  -25 o  114.446   2.5136  3791.10  166.145  3791.10  166.145   0.0000   0.0000  114.446   2.5136  ?   ?       ?      ? 
1 1 1   11   17  -25 o   89.359   2.9582  2363.35  148.267  2523.30  192.257  2128.63  232.903   93.241   3.5702   85.478   4.7178 7.763031 5.916384 
1 1 1   11   18  -25 o   42.546   7.0672  681.802  163.906  812.832  185.628  218.164  349.178   52.629   6.1071   32.463   12.747 20.16588 14.13439 
1 1 1   11   19  -25 o   21.165   9.4602 -82.4063  236.646 -82.4063  236.646   0.0000   0.0000   21.165   9.4602  ?   ?       ?      ? 
1 1 1   11   20  -25 o  143.797   2.5573  6003.11  202.415  5980.89  250.658  6044.77  343.185  143.565   3.0231  144.029   4.1257 -0.4636078 5.114676 
1 1 1   11   21  -25 o   24.107   6.1024  -6.0450  118.753 -160.8964  141.248  367.316  219.326   13.927   6.5949   34.287   10.270 -20.36010 12.20486 
1 1 1   11   22  -25 o  162.936   2.2091  7681.98  181.111  7646.10  209.608  7787.66  359.766  162.448   2.2341  163.423   3.8117 -0.9749298 4.418209 
1 1 1   11   23  -25 o   26.024   7.5548   69.069  180.548 -26.9284  229.960  223.344  291.520   21.741   9.5393   30.307   11.718 -8.566313 15.10961 
1 1 1   11   24  -25 o   83.283   3.4410  2018.92  136.569  1999.49  154.212  2089.55  294.035   82.837   3.2233   83.728   6.0806 -0.8903046 6.882095 
1 1 1   11   25  -25 o   71.353   5.5111  1514.84  227.111   0.0000   0.0000  1514.84  227.111  ?   ?    71.353   5.5111      ?      ? 
1 1 1   11   26  -25 o   90.362   2.4635  2448.32  120.194  2566.31  148.122  2220.86  205.667   93.867   2.7323   86.857   4.0999 7.009598 4.926913 
1 1 1   11   27  -25 o   56.207   5.3758  947.446  174.511  947.446  174.511   0.0000   0.0000   56.207   5.3758  ?   ?       ?      ? 
1 1 1   11   28  -25 o   48.283   4.6574  698.213  117.231  672.998  137.918  763.866  222.546   47.372   5.0410   49.194   7.8329 -1.822498 9.314816 
1 1 1   11   29  -25 o   67.852   3.1971  1372.73  124.651  1347.32  167.422  1404.33  186.719   67.253   4.3104   68.451   4.7230 -1.198280 6.394257 
1 1 1   11   30  -25 o   48.160   4.3751  716.653  120.404  590.873  166.311  855.190  174.541   43.490   6.6213   52.830   5.7205 -9.339890 8.750195 
1 1 1   11   31  -25 o   32.570   7.3801  392.247  154.829  424.295  182.923  311.278  290.752   34.948   9.0064   30.192   11.694 4.756050 14.76022 
1 1 1   11   32  -25 o   23.050   7.0045   87.407  164.146  132.958  197.507 -14.3176  295.151   23.247   9.4309   22.854   10.359 0.3928814 14.00896 
1 1 1   11   33  -25 o   62.209   5.2059  1262.92  184.329  1296.72  244.151  1218.12  281.097   63.845   6.6214   60.573   8.0351 3.271690 10.41176 
1 1 1   11   34  -25 o   26.090   7.9649  166.345  215.614  226.790  337.903  124.830  280.034   27.624   11.842   24.557   10.655 3.067286 15.92972 
1 1 1   11   35  -25 f   36.522   6.8848  508.313  139.085  495.683  269.969  512.877  162.278   34.308   11.532   38.735   7.5250 -4.426945 13.76966 
1 1 1   11    0  -26 o   57.467   6.9894  1029.16  197.359  1085.65  345.016  1001.68  240.613   57.718   11.688   57.217   7.6678 -0.000000 0.000000 
1 1 1   11    1  -26 o   55.407   5.8365  835.613  171.779  744.261  201.726  1076.61  327.647   50.451   6.9232   60.364   9.3982 -9.912491 11.67291 
1 1 1   11    2  -26 o   74.349   4.8871  1565.82  200.134  1458.19  244.715  1783.21  347.774   70.727   5.9909   77.971   7.7229 -7.244545 9.774144 
1 1 1   11    3  -26 o  118.610   2.1727  4127.73  143.868  4304.69  183.712  3847.11  231.346  121.983   2.6077  115.237   3.4760 6.746140 4.345417 
1 1 1   11    4  -26 o   45.092   5.5954  615.257  140.360  492.613  200.655  732.767  196.411   40.120   8.8932   50.064   6.7930 -9.943413 11.19077 
1 1 1   11    5  -26 o  153.492   2.8452  6818.52  252.221  6818.52  252.221   0.0000   0.0000  153.492   2.8452  ?   ?       ?      ? 
1 1 1   11    6  -26 o   42.108   6.9327  552.423  166.902  666.901  231.112  427.644  241.287   46.815   8.8724   37.401   10.655 9.414639 13.86534 
1 1 1   11    7  -26 o   98.347   2.6892  2823.80  149.928  2912.41  195.980  2698.77  232.802  100.262   3.3845   96.432   4.1800 3.830269 5.378405 
1 1 1   11    8  -26 o  129.742   2.7351  4856.89  174.226  4930.78  359.144  4834.15  199.240  130.234   4.7748  129.249   2.6691 0.9855042 5.470192 
1 1 1   11    9  -26 o  117.548   2.0554  3999.81  139.495  4137.08  198.552  3866.02  196.024  119.543   2.8758  115.554   2.9372 3.988899 4.110704 
1 1 1   11   10  -26 o   57.065   6.7078  1049.60  165.587  878.109  370.498  1092.40  185.102   52.889   12.353   61.240   5.2335 -8.351192 13.41568 
1 1 1   11   11  -26 o   76.606   3.4560  1718.96  151.643  1813.99  205.432  1605.19  224.785   78.993   4.5030   74.219   5.2440 4.773193 6.912041 
1 1 1   11   12  -26 o   74.483   3.6122  1590.56  151.646  1504.09  192.148  1733.36  246.932   71.903   4.6271   77.064   5.5481 -5.161308 7.224308 
1 1 1   11   13  -26 o  107.883   3.4036  3345.51  175.594  3469.14  377.370  3311.34  198.379  108.885   6.0009  106.881   3.2137 2.004562 6.807227 
1 1 1   11   14  -26 o   77.428   3.8469  1745.19  171.410  1820.69  255.418  1683.34  231.207   78.919   5.6039   75.937   5.2719 2.981926 7.693869 
1 1 1   11   15  -26 o  106.165   3.4926  3349.29  177.506  3177.80  372.258  3399.76  201.943  104.064   6.1938  108.266   3.2296 -4.202354 6.985249 
1 1 1   11   16  -26 o   55.854   5.2796  913.623  168.745  1106.61  252.181  757.148  227.073   61.197   7.1350   50.511   7.7838 10.68595 10.55915 
1 1 1   11   17  -26 o   75.388   4.7154  1689.61  145.562  1694.96  157.954  1659.45  374.913   76.369   3.5812   74.406   8.7244 1.962654 9.430792 
1 1 1   11   18  -26 o   23.888   7.2038 -47.2365  166.514 -148.4890  199.814  182.905  301.246   17.853   8.2512   29.922   11.811 -12.06819 14.40751 
1 1 1   11   19  -26 o   17.834   8.3290 -185.5051  211.968 -185.5051  211.968   0.0000   0.0000   17.834   8.3290  ?   ?       ?      ? 
1 1 1   11   20  -26 o   94.458   3.8319  2617.89  166.525  2611.45  186.023  2643.86  373.629   94.726   3.4003   94.191   6.8683 0.5350494 7.663865 
1 1 1   11   21  -26 o  112.684   3.0083  3720.21  185.098  3707.34  318.046  3726.79  227.617  112.285   4.9044  113.083   3.4852 -0.7975006 6.016581 
1 1 1   11   22  -26 o   50.317   6.9315  812.432  192.727  849.007  249.206  758.004  304.003   52.731   8.1829   47.903   11.190 4.827835 13.86304 
1 1 1   11   23  -26 o   63.433   3.4927  1189.33  127.925  1181.26  178.721  1197.82  183.189   63.225   4.8944   63.640   4.9841 -0.4149437 6.985421 
1 1 1   11   24  -26 o   67.734   5.2705  1574.01  146.985  1669.83  162.829  1152.29  341.607   75.459   3.7362   60.009   9.8566 15.45049 10.54101 
1 1 1   11   25  -26 o   71.935   3.3827  1515.56  135.230  1458.09  168.285  1620.31  227.201   70.292   4.1453   73.578   5.3466 -3.285553 6.765324 
1 1 1   11   26  -26 o   72.105   2.7707  1529.60  115.185  1444.19  157.454  1627.94  168.944   69.955   3.8972   74.255   3.9394 -4.299583 5.541387 
1 1 1   11   27  -26 o   52.794   5.6775  827.941  165.043  697.616  199.959  1106.49  292.331   47.135   7.3454   58.453   8.6592 -11.31870 11.35505 
1 1 1   11   28  -26 o   27.377   7.1260  239.952  141.346  269.105  161.723  145.637  290.883   28.323   8.8835   26.431   11.145 1.892141 14.25207 
1 1 1   11   29  -26 o   24.509   6.4564  155.706  134.308  -2.7528  196.276  295.238  184.181   19.741   8.7312   29.277   9.5134 -9.536215 12.91275 
1 1 1   11   30  -26 o   41.297   7.0222  732.323  164.536  843.480  184.546  301.532  363.305   52.062   6.1376   30.531   12.632 21.53132 14.04445 
1 1 1   11   31  -26 o   10.865   5.4465 -385.5145  147.017 -385.5145  147.017   0.0000   0.0000   10.865   5.4465  ?   ?       ?      ? 
1 1 1   11   32  -26 o   66.117   3.3153  1263.99  117.033  1166.45  138.825  1503.58  217.584   62.462   3.8483   69.772   5.3996 -7.310043 6.630606 
1 1 1   11   33  -26 o   39.771   5.0786  513.461  113.355  446.554  148.383  607.234  175.664   36.410   7.3103   43.132   7.0518 -6.722034 10.15725 
1 1 1   11   34  -26 o   22.074   6.2291   68.692  133.084 -112.3731  177.691  300.022  200.846   16.023   7.5286   28.125   9.9261 -12.10196 12.45823 
1 1 1   11    0  -27 o  103.615   4.2045  3143.34  249.510  3312.28  359.910  2987.02  346.210  106.329   5.9024  100.900   5.9893 -0.000000 0.000000 
1 1 1   11    1  -27 o   84.475   3.2274  2064.41  154.751  2023.32  200.179  2125.45  243.960   83.482   4.1518   85.468   4.9423 -1.985863 6.454771 
1 1 1   11    2  -27 o   44.793   4.7133  626.574  112.459  778.272  151.015  437.713  168.501   51.708   5.0568   37.878   7.9555 13.82958 9.426635 
1 1 1   11    3  -27 o  124.837   2.0092  4524.62  144.048  4379.02  213.427  4646.44  195.219  122.968   3.0052  126.705   2.6677 -3.737343 4.018451 
1 1 1   11    4  -27 o   22.187   6.6302  -4.7317  151.117  103.169  211.921 -116.3584  215.549   24.859   9.8763   19.515   8.8485 5.343880 13.26040 
1 1 1   11    5  -27 o   71.511   3.3190  1492.78  134.480  1458.68  210.438  1516.32  174.839   70.766   5.1489   72.256   4.1897 -1.489868 6.638073 
1 1 1   11    6  -27 o   80.470   3.6665  1896.86  169.204  1993.00  229.919  1783.28  249.910   82.756   4.8105   78.184   5.5346 4.572266 7.332951 
1 1 1   11    7  -27 o   45.254   5.4300  647.899  128.634  508.892  213.706  726.876  161.083   40.604   9.3114   49.903   5.5890 -9.299091 10.85999 
1 1 1   11    8  -27 o  127.026   2.3051  4699.25  165.666  4791.94  214.955  4563.66  259.991  128.627   2.8936  125.425   3.5891 3.201561 4.610255 
1 1 1   11    9  -27 o  131.822   2.7785  4922.79  189.387  5325.91  366.176  4775.58  221.282  135.257   4.6876  128.387   2.9843 6.869995 5.556899 
1 1 1   11   10  -27 o   70.572   5.6570  1503.25  207.919  1545.73  247.965  1402.65  381.574   72.673   5.9079   68.471   9.6491 4.202164 11.31404 
1 1 1   11   11  -27 o   78.417   2.7639  1790.15  124.710  1744.10  183.117  1829.98  170.311   77.451   4.0937   79.383   3.7147 -1.931541 5.527887 
1 1 1   11   12  -27 o   17.332   8.2946 -568.1158  147.839 -311.9269  235.727 -734.2138  189.807   17.332   8.2946  ?   ?       ?      ? 
1 1 1   11   13  -27 o   40.036   6.2383  500.091  140.636  570.010  195.939  425.796  201.978   43.117   8.1675   36.956   9.4317 6.161068 12.47651 
1 1 1   11   14  -27 o  110.247   3.4897  3551.27  204.661  3554.21  369.873  3549.98  245.703  110.023   5.8208  110.471   3.8510 -0.4477234 6.979413 
1 1 1   11   15  -27 f   21.082   6.3159 -17.3672  143.797 -227.0647  229.021  119.101  184.755   18.132   8.5284   24.033   9.3181 -5.901182 12.63171 
1 1 1   11   16  -27 o  123.719   2.9065  4490.19  196.429  4547.54  242.293  4380.22  335.521  125.080   3.3540  122.358   4.7479 2.722572 5.813098 
1 1 1   11   17  -27 o   20.614   6.5787 -98.9141  164.708 -118.3886  218.884 -73.4916  250.086   19.401   8.8428   21.827   9.7428 -2.426453 13.15745 
1 1 1   11   18  -27 o  131.051   3.0043  5022.79  203.673  5023.17  239.837  5021.80  385.706  131.428   3.1597  130.675   5.1107 0.7535553 6.008548 
1 1 1   11   19  -27 o  111.039   2.8646  3558.78  169.163  3486.39  202.066  3728.37  309.288  109.442   3.1969  112.637   4.7544 -3.195114 5.729248 
1 1 1   11   20  -27 o   64.713   4.0440  1307.16  141.816  1489.89  181.081  1017.31  228.068   71.230   4.4018   58.197   6.7854 13.03236 8.088094 
1 1 1   11   21  -27 o   70.566   3.4583  1496.74  134.875  1567.57  170.397  1377.91  220.700   73.097   4.0362   68.034   5.6168 5.062790 6.916626 
1 1 1   11   22  -27 o   65.994   3.3739  1290.27  128.465  1350.29  181.259  1229.70  182.098   67.579   4.6441   64.408   4.8953 3.171364 6.747709 
1 1 1   11   23  -27 o   13.054   4.6337 -556.5430  147.827 -532.1495  191.777 -592.2585  232.053   12.280   6.1652   13.829   6.9192 -1.548179 9.267429 
1 1 1   11   24  -27 o  111.245   2.4950  3653.43  149.515  3684.81  181.863  3587.98  262.631  112.340   2.8030  110.150   4.1283 2.189888 4.989978 
1 1 1   11   25  -27 o   15.990   5.6308 -635.3928  206.061 -605.0986  281.572 -670.3266  302.365   15.813   7.8658   16.167   8.0594 -0.3537798 11.26159 
1 1 1   11   26  -27 o   59.446   5.5720  1232.54  146.182  1320.05  167.563  953.771  299.067   66.523   4.3613   52.369   10.255 14.15483 11.14393 
1 1 1   11   27  -27 o   61.550   5.2688  1259.27  171.678  1375.88  212.729  1041.47  290.729   67.153   5.4850   55.947   8.9975 11.20548 10.53759 
1 1 1   11   28  -27 o   78.395   3.8949  1836.94  158.038  1779.69  185.242  1990.08  302.945   77.176   4.1560   79.614   6.5886 -2.437881 7.789819 
1 1 1   11   29  -27 o   25.797   6.6861  207.278  117.118  206.792  132.720  208.988  248.967   24.982   8.0720   26.613   10.661 -1.631033 13.37228 
1 1 1   11   30  -27 o   53.137   5.3407  995.334  133.800  1087.49  158.437  766.185  249.836   59.952   4.5758   46.322   9.6517 13.62960 10.68148 
1 1 1   11   31  -27 o   18.661   5.7764   17.084  118.317  -3.6433  160.865   41.512  174.633   17.768   7.8794   19.554   8.4489 -1.785410 11.55289 
1 1 1   11   32  -27 o   58.038   4.2420  1068.11  142.189  1061.32  200.821  1074.94  201.350   57.842   6.0115   58.234   5.9868 -0.3916168 8.484045 
1 1 1   11   33  -27 o   26.181   6.5903  191.150  122.550   84.787  146.655  437.320  223.111   19.450   8.0350   32.911   10.448 -13.46084 13.18062 
1 1 1   11    0  -28 o   8.9123   4.6131 -479.6307  140.862 -527.3672  187.505 -417.7881  213.418   8.0284   5.9013   9.7961   7.0921 -0.000000 0.000000 
1 1 1   11    1  -28 o  127.606   3.0589  4802.92  208.789  4920.50  253.353  4554.04  368.597  130.253   3.3679  124.959   5.1074 5.294174 6.117842 
1 1 1   11    2  -28 f   45.734   5.4151  674.184  131.086  388.462  193.447  916.781  178.251   35.448   9.3240   56.019   5.5095 -20.57046 10.83012 
1 1 1   11    3  -28 o  105.921   2.5351  3231.52  149.552  3165.54  187.196  3347.92  248.650  104.504   3.1015  107.338   4.0110 -2.833702 5.070244 
1 1 1   11    4  -28 o   41.654   7.2499  539.594  149.383  552.767  166.487  485.186  338.356   43.374   6.6461   39.934   12.887 3.440067 14.49979 
1 1 1   11    5  -28 o   78.240   2.9828  1739.60  131.595  1604.93  166.284  1965.31  215.266   74.325   3.8737   82.155   4.5369 -7.830383 5.965647 
1 1 1   11    6  -28 f   77.449   3.0954  1738.77  137.572  1807.14  208.254  1685.83  183.248   78.765   4.5780   76.132   4.1676 2.633316 6.190875 
1 1 1   11    7  -28 o   37.858   6.9723  459.641  160.914  609.232  215.115  269.592  242.466   44.513   8.6794   31.202   10.914 13.31048 13.94458 
1 1 1   11    8  -28 o   87.199   3.9048  2270.70  189.786  2034.53  302.220  2424.48  243.867   83.206   6.2891   91.193   4.6302 -7.987602 7.809698 
1 1 1   11    9  -28 f   63.722   5.3462  1156.37  182.457  1332.45  335.849  1082.64  217.326   66.756   8.7110   60.688   6.2004 6.068325 10.69236 
1 1 1   11   10  -28 o   49.548   6.6158  598.241  149.711  1084.05  359.901  496.588  164.630   58.738   11.014   40.359   7.3331 18.37885 13.23167 
1 1 1   11   11  -28 o  129.444   3.3912  4894.57  252.515  4918.96  374.529  4874.25  341.915  129.673   5.0009  129.215   4.5816 0.4571381 6.782371 
1 1 1   11   12  -28 o   99.202   2.2379  2855.63  128.148  2914.84  184.895  2800.89  177.774  100.185   3.1955   98.218   3.1339 1.967148 4.475783 
1 1 1   11   13  -28 o   34.248   6.6163  378.735  160.097  610.218  204.701   14.099  256.915   44.433   8.2814   24.063   10.321 20.37066 13.23261 
1 1 1   11   14  -28 o   97.119   2.2665  2750.22  125.698  2802.18  166.681  2681.70  191.398   98.237   2.9378   96.001   3.4520 2.235489 4.532925 
1 1 1   11   15  -28 o   39.068   8.0307  438.858  170.212  623.256  350.832  382.090  194.658   43.415   12.985   34.721   9.4530 8.693745 16.06147 
1 1 1   11   16  -28 o   21.214   6.4161 -31.4332  142.650 -140.6270  186.201  123.715  221.950   17.095   7.9232   25.333   10.094 -8.237967 12.83213 
1 1 1   11   17  -28 o  107.184   2.3132  3346.66  142.986  3352.12  207.971  3341.76  196.907  107.241   3.3578  107.126   3.1826 0.1154099 4.626420 
1 1 1   11   18  -28 o   63.085   4.1617  1199.29  149.251  1285.25  199.292  1089.51  225.223   65.891   5.2370   60.278   6.4694 5.612297 8.323421 
1 1 1   11   19  -28 o   56.811   4.8897  872.018  137.009  785.300  154.349  1194.23  297.522   51.447   5.1947   62.174   8.2856 -10.72700 9.779356 
1 1 1   11   20  -28 o   69.676   5.4085  1583.87  190.614  1283.02  347.762  1713.07  227.897   63.488   9.4843   75.863   5.2014 -12.37477 10.81694 
1 1 1   11   21  -28 o   61.862   6.2837  1389.24  151.867  1482.81  168.172  975.684  353.549   70.901   4.1069   52.823   11.877 18.07847 12.56735 
1 1 1   11   22  -28 o   29.971   7.6966  246.395  152.354  198.221  174.882  398.082  310.321   25.770   9.2443   34.171   12.308 -8.400894 15.39326 
1 1 1   11   23  -28 o   52.989   5.3820  847.610  164.710  847.610  164.710   0.0000   0.0000   52.989   5.3820  ?   ?       ?      ? 
1 1 1   11   24  -28 o   77.643   4.6297  1866.16  184.082  1864.82  216.220  1869.70  350.918   78.852   4.7479   76.434   7.9494 2.418015 9.259357 
1 1 1   11   25  -28 f   81.575   3.2198  1976.82  148.045  1911.92  188.527  2081.21  239.110   80.146   4.0729   83.003   4.9879 -2.856712 6.439552 
1 1 1   11   26  -28 o   17.642   5.7841 -148.0724  147.565  -0.8226  196.719 -337.5456  223.148   19.772   8.7433   15.511   7.5749 4.260648 11.56822 
1 1 1   11   27  -28 o   17.981   5.8193 -97.1087  126.506 -166.9127  153.767   49.106  222.545   14.124   6.7426   21.837   9.4865 -7.713511 11.63860 
1 1 1   11   28  -28 o   61.747   3.9550  1120.79  121.534  1067.28  138.953  1295.00  250.704   59.728   4.0282   63.767   6.8074 -4.038883 7.909947 
1 1 1   11   29  -28 o   51.811   4.8932  817.197  136.892  737.274  163.660  1003.36  249.779   48.594   5.8314   55.027   7.8594 -6.432987 9.786493 
1 1 1   11   30  -28 o   27.380   6.4804  266.951  119.303  264.570  154.103  270.512  188.480   27.329   8.6842   27.432   9.6212 -0.1031342 12.96084 
1 1 1   11   31  -28 o   29.026   6.9738  294.793  139.546  454.334  225.962  196.434  177.423   33.806   10.484   24.246   9.1990 9.559893 13.94756 
1 1 1   11    0  -29 o   51.005   8.1373  971.662  191.638  629.596  313.038  1176.70  242.361   39.646   14.716   62.364   6.9498 -0.000000 0.000000 
1 1 1   11    1  -29 o   13.007   4.6143 -621.1625  151.741 -791.6702  228.557 -486.7704  202.913   12.499   6.3300   13.515   6.7154 -1.016250 9.228566 
1 1 1   11    2  -29 o  157.410   2.0540  7184.62  186.565  7191.09  269.628  7178.68  258.414  157.464   2.9648  157.356   2.8435 0.1087341 4.107971 
1 1 1   11    3  -29 o   47.577   6.2969  666.595  173.025   0.0000   0.0000  666.595  173.025  ?   ?    47.577   6.2969      ?      ? 
1 1 1   11    4  -29 o  127.942   2.0303  4761.29  140.647  4788.92  171.615  4704.77  245.455  128.603   2.3106  127.281   3.3391 1.322395 4.060536 
1 1 1   11    5  -29 o   16.662   5.6370 -272.6527  150.228 -286.2935  236.565 -263.4342  194.475   17.669   8.4150   15.655   7.5028 2.014132 11.27407 
1 1 1   11    6  -29 o   91.140   3.2927  2445.09  163.680  2369.08  279.871  2484.61  201.789   89.876   5.3917   92.404   3.7811 -2.527328 6.585403 
1 1 1   11    7  -29 o   17.951   6.1229 -441.0094  182.169 -177.0419  288.918 -615.2046  234.703   21.862   10.038   14.039   7.0147 7.822937 12.24579 
1 1 1   11    8  -29 o   99.283   2.8848  2925.06  159.937  3100.79  205.504  2655.10  254.704  103.268   3.4456   95.297   4.6278 7.971260 5.769628 
1 1 1   11    9  -29 o   34.608   6.1990  361.814  124.244  484.529  193.094  275.114  162.305   39.351   8.7250   29.865   8.8081 9.485989 12.39793 
1 1 1   11   10  -29 o   82.831   3.0177  1965.60  141.372  1825.62  179.861  2191.88  228.676   79.119   3.9362   86.543   4.5751 -7.424431 6.035321 
1 1 1   11   11  -29 o   54.909   4.7178  893.680  149.258  814.617  204.811  983.226  217.968   52.302   6.7803   57.516   6.5618 -5.213623 9.435580 
1 1 1   11   12  -29 o   32.670   7.4505  330.154  160.609  292.060  228.480  367.364  225.816   31.236   10.608   34.104   10.465 -2.868244 14.90104 
1 1 1   11   13  -29 o   52.662   5.4070  860.762  157.185  722.960  231.543  978.553  214.072   48.035   8.6649   57.288   6.4701 -9.252586 10.81398 
1 1 1   11   14  -29 o   46.389   6.5978  661.577  152.905  713.289  304.076  644.075  176.896   46.390   11.425   46.388   6.6028 0.2273560E-02 13.19554 
1 1 1   11   15  -29 o   75.915   4.7943  1709.07  193.449  1798.76  353.220  1670.65  231.207   76.735   7.9701   75.096   5.3309 1.639412 9.588617 
1 1 1   11   16  -29 o   65.804   4.7509  1308.44  166.837  1312.27  201.366  1300.07  297.947   66.510   5.2422   65.098   7.9248 1.411911 9.501736 
1 1 1   11   17  -29 o   45.243   5.0227  635.049  125.898  503.134  176.282  772.380  179.865   39.801   7.9471   50.685   6.1445 -10.88364 10.04542 
1 1 1   11   18  -29 o   17.030   5.6710 -171.4135  140.297 -244.9762  232.420 -129.2428  175.975   17.581   8.3643   16.480   7.6603 1.101530 11.34201 
1 1 1   11   19  -29 o   57.229   4.8238  1005.16  159.175  983.666  230.046  1024.91  220.475   56.530   7.0462   57.927   6.5901 -1.397881 9.647655 
1 1 1   11   20  -29 f   49.543   5.1913  746.787  144.504  691.005  181.735  842.687  238.285   47.417   6.6362   51.669   7.9851 -4.252159 10.38269 
1 1 1   11   21  -29 o   38.898   7.1291  525.401  160.576  520.625  244.971  528.999  212.626   38.386   10.667   39.410   9.4614 -1.023449 14.25824 
1 1 1   11   22  -29 o   33.043   5.9533  388.275  114.423  450.379  141.103  269.012  195.538   37.593   6.7469   28.494   9.8106 9.099281 11.90665 
1 1 1   11   23  -29 o   68.808   3.9783  1447.80  149.422  1449.33  184.110  1444.85  255.763   69.501   4.5867   68.115   6.5014 1.386414 7.956516 
1 1 1   11   24  -29 o   18.252   6.0303 -134.2483  156.585 -162.8575  237.424 -112.2253  208.310   18.487   8.6917   18.018   8.3614 0.4692440 12.06064 
1 1 1   11   25  -29 o   48.645   5.4265  764.555  151.916  741.453  205.325  792.497  225.817   48.018   7.4037   49.271   7.9356 -1.252827 10.85302 
1 1 1   11   26  -29 o   41.014   6.2253  583.462  143.544  476.259  200.586  695.989  205.506   36.533   9.4393   45.496   8.1188 -8.963741 12.45054 
1 1 1   11   27  -29 o   11.702   4.1805 -505.9273  125.756 -541.5576  162.875 -453.3325  197.886   10.439   5.2927   12.966   6.4726 -2.526934 8.361075 
1 1 1   11   28  -29 o   48.140   7.0143  1018.72  140.902  1093.23  152.651  589.800  366.247   60.078   4.3994   36.202   13.321 23.87605 14.02853 
1 1 1   11   29  -29 o   45.089   7.0160  847.632  151.532  907.705  169.000  601.263  342.247   53.919   5.4270   36.259   12.940 17.66082 14.03204 
1 1 1   11   30  -29 o   14.957   7.5326 -554.1450  125.392 -520.4448  138.201 -711.0874  298.239  ?   ?    14.957   7.5326      ?      ? 
1 1 1   11    0  -30 o   11.014   5.6856 -544.4811  190.085 -495.2869  230.530 -648.9678  335.971   9.8059   7.1335   12.222   8.8553 -0.000000 0.000000 
1 1 1   11    1  -30 o  100.804   2.2577  2923.85  126.008  3057.35  212.807  2851.77  156.368  102.469   3.5959   99.138   2.7310 3.331734 4.515388 
1 1 1   11    2  -30 o   83.820   3.3272  2056.39  145.597  2054.27  172.436  2061.65  271.744   84.000   3.5544   83.640   5.6255 0.3597794 6.654321 
1 1 1   11    3  -30 o  150.494   2.0972  6572.21  181.331  6634.76  271.205  6521.64  243.851  151.098   3.1078  149.889   2.8169 1.209183 4.194436 
1 1 1   11    4  -30 o  111.854   2.7125  3662.78  144.043  3673.78  162.827  3623.19  308.917  112.556   2.5048  111.153   4.8121 1.402740 5.424994 
1 1 1   11    5  -30 o   92.748   3.7529  2512.27  155.731  2500.68  172.372  2563.74  363.293   92.728   3.2186   92.768   6.7806 -0.4058838E-01 7.505777 
1 1 1   11    6  -30 o   41.916   5.1705  532.081  120.312  521.862  156.290  546.947  188.493   41.896   6.4592   41.936   8.0756 -0.4030609E-01 10.34100 
1 1 1   11    7  -30 o   66.791   5.4178  1391.89  179.827  1445.94  209.825  1242.36  349.000   70.072   5.1847   63.511   9.5147 6.561600 10.83562 
1 1 1   11    8  -30 o   50.942   5.0415  718.542  142.128  1016.87  247.976  572.596  173.444   58.138   7.3852   43.746   6.8649 14.39189 10.08305 
1 1 1   11    9  -30 f   96.785   2.8350  2735.29  158.082  2804.23  233.006  2676.50  215.179   97.878   4.1219   95.692   3.8935 2.185715 5.670029 
1 1 1   11   10  -30 f   85.551   3.6918  2023.85  154.376  1911.38  174.383  2431.41  331.943   80.881   3.7331   90.222   6.3704 -9.340721 7.383645 
1 1 1   11   11  -30 o  ?   ?  -1071.0179  178.438 -980.0526  245.536 -1172.8320  259.765  ?   ?   ?   ?       ?      ? 
1 1 1   11   12  -30 o   13.895   4.9032 -566.9704  157.854 -708.6182  220.043 -416.7834  226.578   12.490   6.3120   15.299   7.5049 -2.809195 9.806375 
1 1 1   11   13  -30 o   63.883   3.9270  1216.42  142.686  1213.11  221.462  1218.76  186.571   63.634   6.0259   64.132   5.0372 -0.4977036 7.853986 
1 1 1   11   14  -30 o   26.310   6.8023  138.768  156.889 -115.5355  231.292  355.494  213.521   19.684   9.0167   32.936   10.187 -13.25216 13.60458 
1 1 1   11   15  -30 o   76.656   4.2147  1763.84  179.906  1791.84  296.992  1747.61  226.112   76.718   6.7029   76.595   5.1114 0.1234055 8.429426 
1 1 1   11   16  -30 o   39.782   6.1362  520.890  136.410  549.043  183.038  485.719  204.579   41.369   7.9498   38.195   9.3496 3.174076 12.27247 
1 1 1   11   17  -30 o   45.950   7.2715  681.797  164.267  655.522  186.049  774.712  349.861   46.069   6.9924   45.831   12.752 0.2385483 14.54295 
1 1 1   11   18  -30 o   40.901   8.5182  582.668  204.920  513.720  249.535  725.468  359.114   38.153   10.824   43.649   13.156 -5.496513 17.03637 
1 1 1   11   19  -30 o   58.343   4.4785  1040.33  150.319  1165.55  223.710  937.266  202.967   61.542   6.2940   55.145   6.3729 6.397755 8.957024 
1 1 1   11   20  -30 o   26.729   6.7121  235.827  146.831 -242.8032  345.852  341.064  162.172   21.704   10.290   31.754   8.6212 -10.04922 13.42423 
1 1 1   11   21  -30 o   33.845   8.2398  335.404  173.844  229.911  199.181  672.722  356.170   26.838   9.8313   40.852   13.226 -14.01403 16.47965 
1 1 1   11   22  -30 o   80.749   3.4902  1956.10  162.021  1769.57  217.242  2189.91  243.217   76.463   4.9194   85.034   4.9524 -8.571579 6.980414 
1 1 1   11   23  -30 o   76.358   3.4817  1806.09  149.166  1985.71  196.345  1560.92  229.396   81.461   4.1733   71.254   5.5743 10.20715 6.963458 
1 1 1   11   24  -30 o   79.887   3.7587  1900.00  173.418  1900.00  173.418   0.0000   0.0000   79.887   3.7587  ?   ?       ?      ? 
1 1 1   11   25  -30 o   14.926   5.3090 -525.8067  168.605 -559.6702  202.827 -450.0722  303.324   12.338   6.2133   17.515   8.6102 -5.176796 10.61798 
1 1 1   11   26  -30 o   20.158   5.9006   35.951  125.542 -150.7587  186.266  191.369  169.942   15.994   7.5736   24.323   9.0503 -8.329516 11.80117 
1 1 1   11   27  -30 o   18.593   6.1848 -84.4721  143.855 -85.3612  164.191 -81.5352  298.425   15.962   7.4128   21.225   9.9025 -5.263192 12.36966 
1 1 1   11   28  -30 o   48.432   6.4846  850.756  159.096  852.582  188.745  846.275  295.691   51.343   6.3651   45.520   11.300 5.823105 12.96928 
1 1 1   11    0  -31 o   84.321   5.2324  2142.95  250.041  2266.61  361.967  2030.08  345.808   86.719   7.3486   81.923   7.4504 -0.000000 0.000000 
1 1 1   11    1  -31 o   79.773   3.4115  1921.86  148.527  1717.45  247.470  2036.94  185.691   76.090   5.6313   83.457   3.8525 -7.366554 6.823004 
1 1 1   11    2  -31 o   22.290   6.7407   22.734  154.491  -5.7871  222.380   49.340  214.783   21.768   9.4697   22.812   9.5954 -1.044413 13.48136 
1 1 1   11    3  -31 o   94.415   3.2340  2620.83  176.324  2571.86  247.111  2671.61  251.671   93.516   4.5753   95.313   4.5719 -1.797569 6.468040 
1 1 1   11    4  -31 o   12.211   6.1862 -746.5579  145.505 -750.4026  219.549 -743.5462  194.305   12.211   6.1862  ?   ?       ?      ? 
1 1 1   11    5  -31 o   43.445   6.0977  597.713  147.338  576.846  201.258  621.813  216.287   42.677   8.4643   44.214   8.7797 -1.537319 12.19535 
1 1 1   11    6  -31 o  101.449   2.2498  3021.28  126.747  2922.85  208.458  3079.01  159.647   99.990   3.6097  102.908   2.6861 -2.917213 4.499507 
1 1 1   11    7  -31 o   33.760   6.7211  371.055  137.410  324.360  200.005  412.801  189.108   31.812   9.8631   35.709   9.1332 -3.897139 13.44227 
1 1 1   11    8  -31 o   55.974   3.8580  943.191  122.778  855.761  185.134  1011.83  164.042   53.459   5.9962   58.490   4.8561 -5.030476 7.716017 
1 1 1   11    9  -31 o   51.131   4.4851  806.732  128.783  916.570  172.138  667.101  194.085   55.482   5.3721   46.780   7.1837 8.702057 8.970234 
1 1 1   11   10  -31 o   63.338   4.6851  1221.25  169.600  1019.85  238.179  1428.40  241.559   57.776   7.1380   68.900   6.0704 -11.12458 9.370186 
1 1 1   11   11  -31 o  121.305   2.5318  4316.82  177.297  4411.44  249.009  4219.53  252.500  122.688   3.5142  119.923   3.6457 2.765266 5.063643 
1 1 1   11   12  -31 o   50.596   5.6155  812.944  146.941  822.608  177.919  792.208  260.608   52.218   5.8995   48.974   9.5568 3.243382 11.23103 
1 1 1   11   13  -31 o   46.429   7.9697  741.215  197.691  725.972  234.459  778.706  367.708   47.058   8.9539   45.801   13.187 1.257015 15.93938 
1 1 1   11   14  -31 o   69.028   3.9022  1426.88  153.759  1503.70  238.546  1372.27  201.111   70.416   5.8657   67.640   5.1481 2.775360 7.804401 
1 1 1   11   15  -31 o   35.981   6.9278  452.014  158.073  626.039  216.925  254.983  230.819   43.345   8.9614   28.617   10.567 14.72769 13.85552 
1 1 1   11   16  -31 o   49.866   6.3591  902.130  132.924  950.807  147.547  692.426  306.245   56.433   4.5270   43.300   11.885 13.13316 12.71816 
1 1 1   11   17  -31 o   68.670   4.5139  1380.01  165.042  1263.36  195.208  1672.41  309.049   64.611   5.2312   72.728   7.3577 -8.116875 9.027787 
1 1 1   11   18  -31 o   44.143   5.8228  598.042  148.451   0.0000   0.0000  598.042  148.451  ?   ?    44.143   5.8228      ?      ? 
1 1 1   11   19  -31 o   46.400   5.0879  687.964  132.153  581.618  181.733  807.309  192.519   42.011   7.7765   50.790   6.5631 -8.779202 10.17588 
1 1 1   11   20  -31 o   63.144   4.0764  1216.92  146.774  1155.08  191.065  1305.94  229.254   61.462   5.3825   64.825   6.1234 -3.362499 8.152744 
1 1 1   11   21  -31 o   40.799   5.1197  540.204  117.795  584.650  167.206  496.410  165.976   42.982   6.7357   38.616   7.7121 4.366116 10.23939 
1 1 1   11   22  -31 o   28.450   6.6364  284.353  126.564  297.799  168.909  267.138  191.118   29.133   9.0691   27.767   9.6912 1.366135 13.27281 
1 1 1   11   23  -31 o   47.660   6.5026  849.805  145.693  903.613  167.152  679.678  297.220   54.150   5.3448   41.171   11.856 12.97874 13.00525 
1 1 1   11   24  -31 o   74.230   4.1259  1678.08  160.109  1612.22  188.753  1847.06  302.320   72.904   4.4829   75.556   6.9280 -2.652153 8.251897 
1 1 1   11   25  -31 o   42.218   4.7715  597.015  108.382  650.574  139.894  516.602  171.414   45.763   5.2929   38.673   7.9405 7.090752 9.542918 
1 1 1   11   26  -31 f   15.177   5.1387 -160.0630  122.694 -163.2150  203.352 -158.2588  153.854   16.373   7.7990   13.981   6.6933 2.392370 10.27738 
1 1 1   11    0  -32 o   11.331   5.7423 -335.6592  167.030 -312.4211  210.749 -374.9129  273.909   10.498   7.5149   12.165   8.6846 -0.000000 0.000000 
1 1 1   11    1  -32 f   28.278   6.8606  258.722  145.049 -88.2957  318.352  349.633  162.945   23.725   10.756   32.831   8.5198 -9.106367 13.72122 
1 1 1   11    2  -32 o   13.842   4.9572 -811.6468  184.163 -741.5945  287.755 -860.2467  239.679   15.267   7.6485   12.416   6.3083 2.850597 9.914362 
1 1 1   11    3  -32 o   55.582   4.6815  892.851  146.556  718.246  184.807  1188.73  240.574   48.635   6.5794   62.530   6.6616 -13.89485 9.362936 
1 1 1   11    4  -32 o   17.582   5.6250 -68.0859  122.334 -80.4122  178.660 -57.2052  167.856   17.621   8.0152   17.542   7.8942 0.7941055E-01 11.24996 
1 1 1   11    5  -32 o   23.393   7.1670   33.115  158.071   15.064  183.153   85.812  312.940   20.131   8.6756   26.654   11.410 -6.523148 14.33403 
1 1 1   11    6  -32 o   59.779   4.4170  1100.60  149.539  1213.33  200.566  959.500  224.394   63.617   5.4588   55.940   6.9455 7.677437 8.833961 
1 1 1   11    7  -32 o   57.166   4.0658  941.707  129.530  1153.33  220.945  830.884  159.889   61.645   6.2058   52.686   5.2546 8.959080 8.131601 
1 1 1   11    8  -32 o   30.330   7.6418  298.929  181.408   6.3367  346.013  409.841  213.035   25.904   11.518   34.756   10.046 -8.852175 15.28368 
1 1 1   11    9  -32 o   43.942   7.0577  522.763  152.634  400.132  171.820  981.710  332.396   34.796   8.5994   53.088   11.194 -18.29247 14.11547 
1 1 1   11   10  -32 o   41.814   6.3650  592.301  147.586  505.153  240.400  645.013  186.966   38.055   10.564   45.574   7.1033 -7.519051 12.72999 
1 1 1   11   11  -32 o  104.257   4.3334  3324.23  260.668  3350.55  361.771  3295.81  375.918  104.829   5.9754  103.686   6.2775 1.143646 8.666752 
1 1 1   11   12  -32 o   22.581   6.2786  108.269  128.346  205.102  165.921 -35.9859  202.515   25.665   9.0257   19.497   8.7304 6.167532 12.55716 
1 1 1   11   13  -32 o   43.793   6.8428  594.411  158.668  878.813  291.724  474.933  189.082   50.117   10.419   37.470   8.8741 12.64627 13.68565 
1 1 1   11   14  -32 o   69.555   4.3447  1444.64  165.389  1643.16  290.329  1349.27  201.232   72.366   6.9465   66.743   5.2204 5.622833 8.689472 
1 1 1   11   15  -32 o   33.509   6.7928  443.193  162.745   34.132  311.181  597.204  190.939   24.556   10.921   42.462   8.0812 -17.90537 13.58567 
1 1 1   11   16  -32 o   72.280   5.3929  1731.88  197.828  1811.06  235.041  1539.51  366.358   77.129   5.2765   67.432   9.4071 9.696877 10.78586 
1 1 1   11   17  -32 f   62.732   5.9134  1269.87  194.381  1232.39  230.729  1361.51  360.799   62.809   6.3606   62.654   9.9707 0.1542053 11.82679 
1 1 1   11   18  -32 o   16.146   5.5541 -196.6126  133.150 -375.5438  298.016 -151.9864  148.831   18.208   8.8613   14.084   6.6984 4.124313 11.10815 
1 1 1   11   19  -32 o   25.272   7.1877  178.727  158.839  182.340  205.079  173.310  251.115   24.937   9.7759   25.608   10.540 -0.6710587 14.37535 
1 1 1   11   20  -32 o   18.318   5.8937 -97.7093  147.178 -334.7361  232.320   61.196  190.220   15.812   7.7234   20.823   8.9046 -5.010787 11.78740 
1 1 1   11   21  -32 o   54.364   5.3803  997.605  154.597  896.340  255.175  1056.33  194.320   50.546   9.0745   58.181   5.7830 -7.634407 10.76057 
1 1 1   11   22  -32 o   21.719   6.3556  105.952  131.332  146.312  179.969   59.975  192.086   22.819   9.0902   20.618   8.8851 2.200346 12.71125 
1 1 1   11   23  -32 o   58.546   5.7066  1152.55  184.833  1217.99  309.582  1116.30  230.404   58.544   9.1560   58.548   6.8138 -0.3772736E-02 11.41319 
1 1 1   11   24  -32 o   43.776   5.5910  656.956  129.567  673.951  223.998  648.411  158.835   42.602   9.3596   44.949   6.1184 -2.347206 11.18199 
1 1 1   11    0  -33 f   85.067   4.7154  2193.54  222.888  2181.43  286.167  2212.23  355.379   85.225   5.8781   84.909   7.3749 -0.000000 0.000000 
1 1 1   11    1  -33 o   35.375   6.1013  420.136  124.017  364.773  182.317  467.812  169.189   32.882   9.2251   37.868   7.9874 -4.985470 12.20252 
1 1 1   11    2  -33 o   90.124   3.7710  2473.79  191.366  2318.44  300.249  2580.07  248.344   87.246   5.9587   93.003   4.6235 -5.756721 7.542088 
1 1 1   11    3  -33 o   78.770   3.5255  1848.45  156.294  1918.39  252.647  1805.08  198.926   79.656   5.4918   77.885   4.4224 1.771133 7.051009 
1 1 1   11    4  -33 o   30.797   6.3099  309.227  136.876  510.979  187.475   78.914  200.306   39.278   8.5103   22.316   9.3184 16.96227 12.61978 
1 1 1   11    5  -33 o   18.362   6.3425 -311.4095  154.735 -86.8958  346.277 -367.4253  172.965   24.028   11.016   12.696   6.2895 11.33170 12.68508 
1 1 1   11    6  -33 o   57.223   4.0188  1000.15  130.636  968.661  201.643  1022.93  171.492   56.159   6.2169   58.286   5.0944 -2.126774 8.037602 
1 1 1   11    7  -33 o   37.265   6.0687  465.232  122.091  436.096  222.549  477.776  146.028   35.201   10.295   39.329   6.4289 -4.127911 12.13737 
1 1 1   11    8  -33 o   73.844   3.9741  1680.59  167.010  1488.16  247.891  1840.54  226.000   69.531   6.1730   78.158   5.0067 -8.626732 7.948135 
1 1 1   11    9  -33 o   76.865   2.9281  1706.15  126.868  1997.54  208.555  1534.97  159.846   81.763   4.4165   71.966   3.8458 9.796661 5.856260 
1 1 1   11   10  -33 o   50.429   5.5075  804.483  157.792  881.809  250.308  753.489  203.268   52.051   8.3265   48.808   7.2110 3.243084 11.01494 
1 1 1   11   11  -33 o   47.778   5.7607  753.399  149.859  769.758  191.515  727.563  240.675   49.578   6.6885   45.978   9.3812 3.599945 11.52142 
1 1 1   11   12  -33 o   47.534   5.9711  729.476  158.613  890.576  250.747  622.014  204.792   52.129   8.3287   42.939   8.5585 9.189869 11.94213 
1 1 1   11   13  -33 o   16.758   5.4664 -90.6080  122.456 -61.7626  182.613 -114.1779  165.071   17.749   8.0850   15.768   7.3592 1.981825 10.93277 
1 1 1   11   14  -33 o   32.710   6.5013  408.044  139.120  518.555  169.950  183.581  242.209   39.540   7.7192   25.881   10.463 13.65925 13.00252 
1 1 1   11   15  -33 o   23.923   7.1779   94.703  155.728   52.479  182.761  206.611  297.534   20.444   8.7350   27.402   11.392 -6.958561 14.35579 
1 1 1   11   16  -33 o   40.817   6.4495  607.370  151.577  427.470  234.567  736.350  198.615   33.776   10.712   47.858   7.1857 -14.08259 12.89905 
1 1 1   11   17  -33 o   61.608   4.1709  1226.47  133.769  1064.26  237.936  1301.43  161.752   57.430   7.1736   65.786   4.2573 -8.356087 8.341760 
1 1 1   11   18  -33 o   56.978   4.1966  1023.57  136.748  1096.21  186.145  938.406  201.555   59.564   5.4111   54.393   6.4161 5.171104 8.393198 
1 1 1   11   19  -33 o   33.554   6.0165  399.932  114.962  380.378  187.147  411.782  145.690   32.195   9.4477   34.913   7.4522 -2.717743 12.03303 
1 1 1   11   20  -33 o   32.887   7.3201  422.870  158.533  493.125  215.368  339.780  234.216   36.032   9.9975   29.741   10.695 6.290638 14.64021 
1 1 1   11   21  -33 o   40.932   6.0249  602.971  138.908  678.371  185.721  507.233  209.274   45.322   7.0952   36.542   9.7393 8.780087 12.04974 
1 1 1   11   22  -33 o   15.301   5.4224 -435.5556  163.626 -490.5265  194.619 -303.0011  302.216   12.285   6.1733   18.317   8.9163 -6.032150 10.84483 
1 1 1   11    0  -34 o   36.444   8.8490  598.558  174.696  439.727  331.326  659.717  205.596   28.945   15.122   43.942   9.1947 -0.000000 0.000000 
1 1 1   11    1  -34 o   57.040   4.1907  999.771  136.829  1179.10  198.292  836.774  189.048   62.148   5.5245   51.933   6.3030 10.21513 8.381394 
1 1 1   11    2  -34 f   34.303   6.8325  417.961  141.828  455.917  187.700  367.451  216.526   36.432   8.9785   32.174   10.301 4.257214 13.66493 
1 1 1   11    3  -34 o   50.918   7.0045  795.254  176.409  692.456  201.226  1136.60  366.681   46.563   7.4827   55.272   11.843 -8.709255 14.00892 
1 1 1   11    4  -34 o   57.095   3.5970  970.910  114.284  1052.30  191.754  926.074  142.324   58.595   5.6663   55.596   4.4325 2.999340 7.194012 
1 1 1   11    5  -34 o   53.934   6.8815  1116.41  157.848  802.891  351.355  1195.69  176.682   44.942   12.876   62.927   4.8615 -17.98464 13.76310 
1 1 1   11    6  -34 o   62.475   3.3060  1172.89  118.813  1202.99  176.915  1148.15  160.357   63.104   4.8543   61.846   4.4894 1.257553 6.611999 
1 1 1   11    7  -34 o   38.758   6.7767  489.087  149.736  343.230  187.213  748.057  249.458   31.265   9.5160   46.251   9.6509 -14.98557 13.55334 
1 1 1   11    8  -34 o   25.553   7.3455  166.990  174.445  245.664  221.447   38.328  283.193   27.489   10.311   23.617   10.465 3.871910 14.69092 
1 1 1   11    9  -34 o   42.121   5.3152  593.443  121.972  501.073  189.567  658.700  159.334   38.148   8.7855   46.095   5.9851 -7.947014 10.63050 
1 1 1   11   10  -34 o   50.899   6.0075  729.243  134.460  650.578  147.146  1127.35  331.022   46.012   5.5372   55.785   10.663 -9.772903 12.01497 
1 1 1   11   11  -34 f   20.723   5.7831   87.573  109.616 -27.7624  162.940  182.926  148.154   17.459   7.8235   23.987   8.5188 -6.528090 11.56620 
1 1 1   11   12  -34 o   38.656   6.1097  506.062  127.587  549.398  219.163  483.847  156.919   39.059   9.7468   38.254   7.3699 0.8055344 12.21946 
1 1 1   11   13  -34 o   21.280   6.2262   79.542  130.141 -26.0148  193.847  166.160  175.598   18.862   8.4863   23.698   9.1130 -4.835623 12.45245 
1 1 1   11   14  -34 o   16.323   5.5817 -261.4304  156.544 -215.8376  242.423 -294.0400  205.021   17.670   8.4439   14.977   7.3020 2.693189 11.16333 
1 1 1   11   15  -34 o   22.513   6.4560  125.521  134.716  189.542  169.398   15.363  222.207   24.301   9.0370   20.726   9.2224 3.574520 12.91205 
1 1 1   11   16  -34 o   27.172   7.5004  252.396  171.255  297.293  239.762  205.632  244.695   28.514   10.722   25.830   10.491 2.684320 15.00079 
1 1 1   11   17  -34 o   64.838   4.7114  1286.27  176.425  1286.27  176.425   0.0000   0.0000   64.838   4.7114  ?   ?       ?      ? 
1 1 1   11   18  -34 o   14.673   5.0979 -318.0398  147.474 -250.0566  186.986 -429.9245  239.879   14.430   7.0219   14.916   7.3923 -0.4854355 10.19575 
1 1 1   11   19  -34 o   28.843   7.1005  282.098  154.914  110.446  202.349  525.180  240.797   21.855   9.2595   35.831   10.767 -13.97605 14.20095 
1 1 1   11    0  -35 o   17.268   7.0649   93.365  138.732 -192.7824  247.456  224.532  167.538   12.893   9.0106   21.644   10.884 -0.000000 0.000000 
1 1 1   11    1  -35 o   12.982   4.5950 -497.5529  144.184 -531.9391  198.239 -458.9317  210.091   12.381   6.2227   13.583   6.7627 -1.202240 9.190027 
1 1 1   11    2  -35 o   69.177   3.2552  1441.86  129.266  1240.92  178.658  1662.64  187.267   63.972   4.8356   74.382   4.3592 -10.40955 6.510411 
1 1 1   11    3  -35 o   24.955   6.3113  201.859  116.076  230.844  152.336  161.735  179.237   26.180   8.6591   23.731   9.1843 2.449385 12.62264 
1 1 1   11    4  -35 o   43.999   6.9489  730.740  161.482  789.472  190.323  579.797  305.111   49.983   6.5930   38.015   12.234 11.96772 13.89773 
1 1 1   11    5  -35 o   21.286   6.4098   61.624  142.431 -115.4915  253.345  143.476  172.227   19.696   9.1674   22.876   8.9612 -3.179693 12.81969 
1 1 1   11    6  -35 o   36.104   6.5785  487.954  141.182  574.697  179.268  346.283  229.100   41.469   7.7705   30.738   10.617 10.73107 13.15691 
1 1 1   11    7  -35 o   15.421   5.0698 -102.5834  110.582 -177.8891  166.989 -43.7677  147.577   14.641   6.9997   16.201   7.3360 -1.560275 10.13966 
1 1 1   11    8  -35 f   30.441   5.9630  323.063  108.544  306.405  158.994  337.604  148.547   29.568   8.7170   31.314   8.1389 -1.745306 11.92596 
1 1 1   11    9  -35 o   44.944   5.6417  761.534  121.772  491.822  224.764  873.594  144.878   36.249   10.269   53.639   4.6766 -17.39067 11.28348 
1 1 1   11   10  -35 o   50.858   6.0737  808.116  159.850  696.466  187.603  1103.98  305.389   46.447   6.9936   55.270   9.9322 -8.823399 12.14733 
1 1 1   11   11  -35 o   36.442   6.4659  475.826  137.273  382.333  188.972  580.280  199.742   32.286   9.4991   40.598   8.7748 -8.311878 12.93177 
1 1 1   11   12  -35 o   36.726   7.0527  476.118  140.325  585.882  274.706  437.365  163.227   37.975   11.520   35.476   8.1394 2.499252 14.10543 
1 1 1   11   13  -35 o   42.093   6.3919  685.129  151.061  831.396  191.570  444.657  245.633   50.845   6.5237   33.341   10.994 17.50410 12.78377 
1 1 1   11   14  -35 o   19.547   6.3533 -46.6558  163.138 -50.5231  217.690 -41.7014  246.391   18.955   8.7066   20.138   9.2548 -1.183262 12.70656 
1 1 1   11   15  -35 o   19.377   6.0439   10.128  131.662 -62.8670  172.331  112.476  204.060   16.708   7.7010   22.047   9.3173 -5.338934 12.08787 
1 1 1   11   16  -35 o   45.057   5.3022  711.010  129.206  579.803  197.574  809.054  170.790   39.798   8.8269   50.317   5.8771 -10.51905 10.60450 
1 1 1   11    0  -36 o   25.241   9.8561  293.142  183.295  494.034  374.973  230.069  210.108   29.088   15.815   21.395   11.766 -0.000000 0.000000 
1 1 1   11    1  -36 o   21.857   7.0811 -22.4367  196.770   23.356  241.916 -111.9596  338.247   21.507   9.5925   22.206   10.419 -0.6984901 14.16224 
1 1 1   11    2  -36 o   29.916   6.7116  344.928  140.927  159.710  248.646  432.585  171.055   24.767   10.366   35.064   8.5286 -10.29704 13.42317 
1 1 1   11    3  -36 o   34.048   7.4871  435.195  162.522  551.299  250.752  351.091  213.417   37.535   10.913   30.562   10.253 6.973541 14.97425 
1 1 1   11    4  -36 o   39.563   6.3738  575.244  145.021  446.960  226.208  664.762  188.962   34.071   10.477   45.055   7.2618 -10.98388 12.74762 
1 1 1   11    5  -36 f   36.975   6.9673  571.261  141.224  327.802  369.153  613.001  152.851   29.878   12.574   44.072   6.0051 -14.19385 13.93458 
1 1 1   11    6  -36 o   21.995   6.6642   76.824  151.421  162.009  227.831   9.4255  202.656   24.255   10.017   19.735   8.7924 4.520012 13.32838 
1 1 1   11    7  -36 o   22.789   6.3040  149.358  120.652  200.085  179.255  107.342  163.137   24.593   9.2665   20.985   8.5493 3.608143 12.60791 
1 1 1   11    8  -36 o   37.290   6.4785  498.280  137.326  433.584  179.426  589.771  213.370   34.533   8.9300   40.048   9.3883 -5.515572 12.95706 
1 1 1   11    9  -36 o   31.586   7.0738  378.809  142.344  419.178  226.919  352.618  182.776   32.498   10.560   30.674   9.4152 1.824142 14.14753 
1 1 1   11   10  -36 o   27.376   6.7914  248.080  125.355  391.324  225.918  184.359  150.679   31.309   10.549   23.443   8.5565 7.865143 13.58276 
1 1 1   11   11  -36 o   18.739   6.1075 -54.7972  152.949  -9.1228  224.544 -94.3316  208.907   19.806   9.0001   17.672   8.2585 2.134253 12.21493 
1 1 1   11   12  -36 o   19.670   5.9433   51.362  128.561 -143.5610  220.852  151.265  158.110   17.293   8.2055   22.048   8.6001 -4.754894 11.88661 
1 1 1   11    0  -37 o   14.369   7.0790 -154.8278  206.470 -113.8947  259.890 -224.8700  339.963   13.970   9.6368   14.768   10.372 -0.000000 0.000000 
1 1 1   11    1  -37 o   32.985   7.5208  401.482  153.343  316.504  183.742  596.483  278.340   28.823   9.5087   37.147   11.655 -8.324015 15.04162 
1 1 1   11    2  -37 o   20.773   6.6322   18.980  167.047   35.355  258.390   7.2211  218.957   21.632   9.7590   19.914   8.9836 1.718344 13.26436 
1 1 1   11    3  -37 o   18.046   5.9362 -77.0011  145.939 -33.1417  232.171 -105.6507  187.644   19.563   8.9879   16.529   7.7570 3.033842 11.87237 
1 1 1   11    4  -37 o   17.144   5.7478 -139.2809  151.731 -136.9767  226.725 -141.1500  204.199   17.635   8.3524   16.653   7.8986 0.9824276 11.49566 
1 1 1   11    5  -37 o   31.372   7.3577  376.332  155.365  266.339  198.708  549.336  249.208   26.568   9.8060   36.176   10.972 -9.608299 14.71541 
1 1 1   12    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    1    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    2    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    3    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    4    0 o  168.051   2.8732  8115.96  277.082  7655.66  370.007  8703.67  418.090  162.662   3.9438  173.439   4.1793 -0.000000 0.000000 
1 1 1   12    5    0 o  211.862   2.4055 12760.39  289.661 11838.62  372.998 14160.86  459.760  202.386   3.1929  221.339   3.5987 -0.000000 0.000000 
1 1 1   12    6    0 o  185.994   2.6343  9988.11  282.452 10353.32  410.610  9660.08  389.147  189.218   3.7607  182.770   3.6900 -0.000000 0.000000 
1 1 1   12    7    0 o  763.333   3.2467 168330.80  1431.20 167917.41  2022.65 168745.30  2025.39  762.394   4.5940  764.272   4.5889 -0.000000 0.000000 
1 1 1   12    8    0 o  1084.01   5.6467 339695.69  3333.05 339777.09  5770.91 339654.91  4082.89  1083.90   9.2202  1084.11   6.5214 -0.000000 0.000000 
1 1 1   12    9    0 o   97.228   4.2908  2745.04  237.943  2991.03  355.041  2544.46  320.594  101.190   6.1266   93.265   6.0090 -0.000000 0.000000 
1 1 1   12   10    0 o  394.260   2.2682 44953.73  485.060 45049.41  592.261 44758.82  845.346  394.924   2.5969  393.596   3.7195 -0.000000 0.000000 
1 1 1   12   11    0 f  477.832   3.0825 65975.77  850.471 65716.32  1207.24 66231.41  1198.30  476.897   4.3840  478.766   4.3345 -0.000000 0.000000 
1 1 1   12   12    0 o  425.195   2.7146 52221.70  666.549 52221.70  666.549   0.0000   0.0000  425.195   2.7146  425.195   2.7146 -0.000000 0.000000 
1 1 1   12   13    0 o  160.322   2.5343  7429.00  234.523  7429.00  234.523   0.0000   0.0000  160.322   2.5343  160.322   2.5343 -0.000000 0.000000 
1 1 1   12   14    0 o  134.796   2.8404  5255.02  220.908   0.0000   0.0000  5255.02  220.908  134.796   2.8404  134.796   2.8404 -0.000000 0.000000 
1 1 1   12   15    0 o  224.809   2.2174 14610.62  287.677 14212.36  407.395 15006.71  406.281  221.748   3.1825  227.870   3.0884 -0.000000 0.000000 
1 1 1   12   16    0 o   93.116   3.9818  2640.13  200.883  2957.96  257.285  2143.79  321.515  100.887   4.4351   85.345   6.6142 -0.000000 0.000000 
1 1 1   12   17    0 o  327.794   2.1796 31050.54  412.174 32799.91  586.324 29341.43  579.538  336.929   3.0136  318.658   3.1497 -0.000000 0.000000 
1 1 1   12   18    0 o  358.646   2.2672 37160.55  469.428 38255.93  668.492 36094.94  659.346  363.862   3.1816  353.430   3.2308 -0.000000 0.000000 
1 1 1   12   19    0 o  247.972   2.0303 17750.08  289.730 18012.53  428.749 17529.51  393.053  249.651   2.9746  246.294   2.7640 -0.000000 0.000000 
1 1 1   12   20    0 o  212.700   2.1990 13092.62  269.597 13904.84  381.041 12278.47  381.494  219.324   3.0094  206.076   3.2071 -0.000000 0.000000 
1 1 1   12   21    0 o  176.264   2.1769  8925.74  219.809  8532.44  290.934  9448.85  335.525  171.777   2.9345  180.751   3.2164 -0.000000 0.000000 
1 1 1   12   22    0 o  190.971   2.0767 10503.17  226.024 10292.45  295.593 10799.82  350.725  188.689   2.7137  193.253   3.1442 -0.000000 0.000000 
1 1 1   12   23    0 o  152.126   1.9342  6685.47  169.720  6923.41  245.082  6466.23  235.259  154.726   2.7445  149.527   2.7263 -0.000000 0.000000 
1 1 1   12   24    0 o   12.759   6.0742 -77.8975  128.143 -89.7370  187.746 -67.5721  175.332   12.811   8.6582   12.707   8.5218 -0.000000 0.000000 
1 1 1   12   25    0 o   96.629   2.5816  2721.86  142.792  2588.08  210.183  2836.53  194.594   94.373   3.8711   98.884   3.4166 -0.000000 0.000000 
1 1 1   12   26    0 o  157.208   1.9571  7160.19  176.193  7051.46  265.163  7246.15  235.769  156.120   2.9432  158.297   2.5804 -0.000000 0.000000 
1 1 1   12   27    0 o   47.548   6.4191  830.138  133.927  448.594  211.236  1086.60  173.185   34.441   11.815   60.656   5.0230 -0.000000 0.000000 
1 1 1   12   28    0 o   81.677   3.0195  1961.15  138.621  1863.50  215.950  2029.58  180.784   79.830   4.7216   83.524   3.7651 -0.000000 0.000000 
1 1 1   12   29    0 o  131.344   2.0552  4993.59  155.448  4986.84  226.636  4999.60  213.614  131.251   2.9933  131.437   2.8169 -0.000000 0.000000 
1 1 1   12   30    0 o   12.025   5.8466 -216.6157  127.796   27.868  199.189 -387.6578  166.606   15.889   10.065   8.1623   5.9527 -0.000000 0.000000 
1 1 1   12   31    0 o   76.806   3.3723  1730.38  143.590  2307.67  211.054  1232.91  195.923   89.024   4.1251   64.588   5.3361 -0.000000 0.000000 
1 1 1   12   32    0 o   64.661   4.1462  1224.73  153.377   0.0000   0.0000  1224.73  153.377   64.661   4.1462   64.661   4.1462 -0.000000 0.000000 
1 1 1   12   33    0 o  115.880   2.4488  3889.18  161.247  3926.04  250.424  3863.07  210.750  116.309   3.7368  115.452   3.1661 -0.000000 0.000000 
1 1 1   12   34    0 o  179.803   3.1181  9358.55  323.577   0.0000   0.0000  9358.55  323.577  179.803   3.1181  179.803   3.1181 -0.000000 0.000000 
1 1 1   12   35    0 o   61.472   5.0789  1118.40  177.484   0.0000   0.0000  1118.40  177.484   61.472   5.0789   61.472   5.0789 -0.000000 0.000000 
1 1 1   12   36    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   37    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   38    0 o   24.190   12.533  260.582  226.133   0.0000   0.0000  260.582  226.133   24.190   12.533   24.190   12.533 -0.000000 0.000000 
1 1 1   12   39    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   40    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   41    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   42    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   43    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   44    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   45    0 o   62.430   8.0176  1253.28  276.004   0.0000   0.0000  1253.28  276.004   62.430   8.0176   62.430   8.0176 -0.000000 0.000000 
1 1 1   12   46    0 o   31.641   14.153  499.851  275.254   0.0000   0.0000  499.851  275.254   31.641   14.153   31.641   14.153 -0.000000 0.000000 
1 1 1   12   47    0 o   18.516   12.081   87.476  315.579   0.0000   0.0000   87.476  315.579   18.516   12.081   18.516   12.081 -0.000000 0.000000 
1 1 1   12    0   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    1   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    2   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    3   -1 o  796.249   6.7577 183300.59  3107.64   0.0000   0.0000 183300.59  3107.64  ?   ?   796.249   6.7577      ?      ? 
1 1 1   12    4   -1 o  345.654   2.1766 34370.31  412.187 34950.54  707.928 34072.73  506.987  347.839   3.5239  343.470   2.5558 4.369263 4.353157 
1 1 1   12    5   -1 o  469.457   2.6461 64020.63  676.823 62592.93  1164.13 64749.65  831.867  465.451   4.3305  473.463   3.0422 -8.012054 5.292294 
1 1 1   12    6   -1 o  728.518   3.6717 153325.91  1455.35 153537.91  2525.38 153220.50  1780.81  728.802   5.9997  728.234   4.2341 0.5681763 7.343317 
1 1 1   12    7   -1 o  354.487   2.5612 36303.69  524.334 35907.17  742.571 36697.96  740.476  352.556   3.6469  356.419   3.5972 -3.862946 5.122478 
1 1 1   12    8   -1 o  263.772   2.0723 20069.38  299.053 20011.21  367.799 20182.87  513.715  263.220   2.4194  264.324   3.3651 -1.104065 4.144564 
1 1 1   12    9   -1 o  476.385   2.4145 65537.15  577.311 65513.80  667.744 65606.27  1148.85  476.263   2.4276  476.508   4.1745 -0.2452698 4.829072 
1 1 1   12   10   -1 o  135.697   1.9971  5283.72  152.837  5161.17  194.985  5478.98  246.127  133.674   2.5256  137.721   3.0944 -4.046326 3.994251 
1 1 1   12   11   -1 o  329.398   1.7203 31340.30  327.265 31210.40  463.486 31469.47  462.161  328.717   2.4413  330.079   2.4243 -1.362030 3.440564 
1 1 1   12   12   -1 o  160.405   1.6909  7422.90  153.321  7474.97  243.582  7388.73  197.313  160.866   2.6218  159.943   2.1360 0.9230042 3.381755 
1 1 1   12   13   -1 o  131.741   1.7097  5015.67  125.259  5022.51  157.252  5003.80  207.185  131.868   2.0648  131.613   2.7257 0.2552948 3.419440 
1 1 1   12   14   -1 o  198.775   1.9153 11470.75  207.832 11239.19  356.252 11590.22  255.889  197.234   3.1274  200.316   2.2118 -3.081039 3.830544 
1 1 1   12   15   -1 o  156.118   2.3614  7031.19  183.724  7065.04  369.829  7020.10  211.694  156.342   4.0958  155.893   2.3512 0.4490509 4.722705 
1 1 1   12   16   -1 o  275.693   1.7945 21967.01  275.015 21921.85  455.378 21992.93  345.046  275.455   2.8624  275.931   2.1652 -0.4762573 3.589079 
1 1 1   12   17   -1 o  207.406   1.5540 12435.43  185.539 12310.72  272.909 12542.62  253.005  206.436   2.2890  208.377   2.1023 -1.941254 3.107924 
1 1 1   12   18   -1 o  238.677   1.7854 16547.06  226.372 16232.17  408.685 16686.44  271.892  237.006   2.9857  240.347   1.9587 -3.341019 3.570838 
1 1 1   12   19   -1 o  117.165   1.8062  3967.74  121.233  3976.77  161.615  3956.12  183.331  117.322   2.3852  117.008   2.7129 0.3135529 3.612309 
1 1 1   12   20   -1 o  149.008   1.9831  6503.06  155.405  6630.61  185.820  6206.25  283.460  151.497   2.1238  146.520   3.3497 4.976471 3.966232 
1 1 1   12   21   -1 o  122.675   2.0651  4330.40  116.299  4317.84  129.665  4382.06  262.997  122.257   1.8364  123.092   3.6994 -0.8353806 4.130140 
1 1 1   12   22   -1 o  244.959   2.1123 17347.09  298.837 17350.45  423.528 17343.75  421.718  244.982   2.9934  244.936   2.9811 0.4614258E-01 4.224639 
1 1 1   12   23   -1 f   56.178   4.3433  944.271  125.312  980.719  148.383  853.628  233.997   58.197   4.4146   54.158   7.4811 4.039497 8.686522 
1 1 1   12   24   -1 o  145.058   1.4147  6079.92  118.512  6093.20  168.832  6067.02  166.398  145.214   2.0131  144.903   1.9883 0.3111267 2.829476 
1 1 1   12   25   -1 o  218.313   1.7414 13706.29  208.601 14003.83  357.504 13552.69  256.861  220.066   2.8128  216.560   2.0537 3.505676 3.482756 
1 1 1   12   26   -1 o   9.1575   4.6444 -541.8861  106.303 -741.8073  198.007 -460.9302  126.001  ?   ?    9.1575   4.6444      ?      ? 
1 1 1   12   27   -1 o   18.768   5.8453 -35.3049  111.995 -35.8837  132.414 -33.8502  209.922   16.403   7.2170   21.133   9.1971 -4.730190 11.69070 
1 1 1   12   28   -1 o   44.658   3.9198  615.152   92.580  686.139  114.541  481.389  157.232   48.666   4.0753   40.651   6.6971 8.014866 7.839569 
1 1 1   12   29   -1 o   23.183   5.8183  126.239  109.253 -99.7997  199.431  223.162  130.592   19.044   8.5842   27.321   7.8564 -8.276886 11.63663 
1 1 1   12   30   -1 o   29.437   7.1486  234.960  146.817  249.259  200.878  218.562  215.112   29.840   9.9470   29.033   10.270 0.8075275 14.29723 
1 1 1   12   31   -1 o   58.589   3.2861  992.313  103.243  985.929  124.520  1006.35  184.676   58.341   3.6956   58.837   5.4347 -0.4956818 6.572164 
1 1 1   12   32   -1 o   60.584   4.8828  1064.25  170.093  941.579  230.165  1211.87  252.477   56.755   7.0218   64.414   6.7867 -7.658440 9.765503 
1 1 1   12   33   -1 o  123.634   1.9356  4402.11  132.144  4494.83  223.361  4352.18  163.905  124.594   3.1040  122.674   2.3134 1.920113 3.871283 
1 1 1   12   34   -1 o  123.461   2.2349  4408.62  159.354   0.0000   0.0000  4408.62  159.354  ?   ?   123.461   2.2349      ?      ? 
1 1 1   12   35   -1 o  118.825   3.9724  4101.06  272.612   0.0000   0.0000  4101.06  272.612  ?   ?   118.825   3.9724      ?      ? 
1 1 1   12   36   -1 f  115.120   2.4019  3937.84  155.710  4439.62  207.767  3294.86  235.189  123.763   2.9067  106.476   3.8245 17.28722 4.803756 
1 1 1   12   37   -1 o   54.130   4.3226  854.548  135.134  854.548  135.134   0.0000   0.0000   54.130   4.3226  ?   ?       ?      ? 
1 1 1   12   38   -1 o   51.029   6.0903  770.289  179.493   0.0000   0.0000  770.289  179.493  ?   ?    51.029   6.0903      ?      ? 
1 1 1   12   39   -1 o   74.549   5.4219  1643.22  233.439   0.0000   0.0000  1643.22  233.439  ?   ?    74.549   5.4219      ?      ? 
1 1 1   12   40   -1 o  137.937   3.3717  5557.92  268.608  5557.92  268.608   0.0000   0.0000  137.937   3.3717  ?   ?       ?      ? 
1 1 1   12   41   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   42   -1 o   41.237   11.096  605.712  270.080   0.0000   0.0000  605.712  270.080  ?   ?    41.237   11.096      ?      ? 
1 1 1   12   43   -1 o   64.530   8.4744  1359.05  315.833   0.0000   0.0000  1359.05  315.833  ?   ?    64.530   8.4744      ?      ? 
1 1 1   12   44   -1 o   66.158   8.3552  1442.52  319.247   0.0000   0.0000  1442.52  319.247  ?   ?    66.158   8.3552      ?      ? 
1 1 1   12   45   -1 o   34.566   12.429  480.442  316.320   0.0000   0.0000  480.442  316.320  ?   ?    34.566   12.429      ?      ? 
1 1 1   12   46   -1 o   67.080   8.3432  1526.58  323.228   0.0000   0.0000  1526.58  323.228  ?   ?    67.080   8.3432      ?      ? 
1 1 1   12   47   -1 o   37.333   7.2726  486.952  223.034 -113.5432  311.223  1120.94  319.785   20.930   9.8741   53.736   10.680 -32.80664 14.54527 
1 1 1   12    0   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    1   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    2   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    3   -2 o  322.443   2.5537 30008.77  475.208 30652.17  687.944 29421.58  657.202  325.744   3.6567  319.141   3.5656 6.603058 5.107342 
1 1 1   12    4   -2 o  463.860   2.5257 61870.56  639.400 61294.60  783.134 63022.18  1107.38  460.663   2.9435  467.058   4.1053 -6.395447 5.051489 
1 1 1   12    5   -2 o  446.017   2.9309 57476.21  754.928 57132.98  1071.66 57814.32  1063.64  444.694   4.1726  447.341   4.1169 -2.646576 5.861735 
1 1 1   12    6   -2 o  314.004   2.0186 28545.59  351.855 28722.07  441.203 28237.24  583.188  315.351   2.4225  312.657   3.2296 2.693420 4.037200 
1 1 1   12    7   -2 o  375.190   1.8218 40650.13  394.674 41018.54  564.826 40298.63  551.712  376.850   2.5951  373.530   2.5574 3.320618 3.643507 
1 1 1   12    8   -2 o  425.482   2.2458 52053.07  478.861 52780.23  958.163 51810.98  552.857  427.420   3.8815  423.544   2.2601 3.876099 4.491563 
1 1 1   12    9   -2 o  279.721   1.9881 22640.58  307.661 22740.53  383.957 22461.28  514.248  280.596   2.3693  278.846   3.1932 1.749664 3.976156 
1 1 1   12   10   -2 o  382.754   1.7657 42314.54  390.307 42387.91  553.444 42241.94  550.522  383.084   2.5015  382.424   2.4925 0.6598206 3.531305 
1 1 1   12   11   -2 o  229.667   1.4510 15273.98  189.170 15454.92  246.598 15015.24  294.883  231.327   1.8458  228.006   2.2393 3.321518 2.901977 
1 1 1   12   12   -2 o  126.609   2.6383  4759.42  155.717  4852.32  175.524  4416.09  337.442  129.612   2.3448  123.605   4.7269 6.007477 5.276535 
1 1 1   12   13   -2 o   26.379   6.6713  152.684  130.696   77.276  172.609  254.009  200.085   22.511   8.9229   30.247   9.9199 -7.735540 13.34255 
1 1 1   12   14   -2 o  119.519   2.7162  4093.54  164.555  4056.54  190.922  4200.42  324.516  118.499   2.7897  120.539   4.6615 -2.040192 5.432469 
1 1 1   12   15   -2 o  243.494   1.7834 17064.91  242.217 16889.97  304.490 17366.37  399.716  241.812   2.1803  245.176   2.8229 -3.364136 3.566801 
1 1 1   12   16   -2 o  240.077   1.8283 16535.46  234.984 16957.93  422.980 16346.87  282.606  242.261   3.0231  237.893   2.0569 4.367920 3.656499 
1 1 1   12   17   -2 o  285.368   2.0482 23523.04  337.573   0.0000   0.0000 23523.04  337.573  ?   ?   285.368   2.0482      ?      ? 
1 1 1   12   18   -2 o  300.993   1.8387 26261.22  304.604 25892.95  514.132 26460.40  378.110  299.337   2.9739  302.650   2.1632 -3.312103 3.677430 
1 1 1   12   19   -2 o   94.421   2.7399  2494.51  137.721  2791.87  255.378  2372.57  163.540   98.238   4.5011   90.603   3.1253 7.634850 5.479747 
1 1 1   12   20   -2 o  172.762   2.0553  8581.34  189.474  8509.95  227.433  8743.30  342.552  171.621   2.2945  173.903   3.4106 -2.281708 4.110633 
1 1 1   12   21   -2 o   90.360   2.7034  2359.14  140.356  2337.21  188.749  2386.26  209.922   89.897   3.6354   90.822   4.0021 -0.9241104 5.406720 
1 1 1   12   22   -2 o  222.551   2.0322 14314.06  260.492 14270.06  355.259 14365.22  383.096  222.190   2.7684  222.913   2.9757 -0.7228088 4.064356 
1 1 1   12   23   -2 o   27.792   6.6334  202.526  116.598  192.994  136.979  227.598  222.163   25.916   8.1825   29.668   10.443 -3.752197 13.26677 
1 1 1   12   24   -2 o   84.235   2.5866  2023.31  118.884  2144.02  207.842  1964.61  144.934   86.048   4.1822   82.422   3.0447 3.625626 5.173122 
1 1 1   12   25   -2 o  245.471   1.8795 17360.21  247.905 17255.61  299.476 17587.93  441.874  244.354   2.1221  246.587   3.1027 -2.233261 3.758986 
1 1 1   12   26   -2 o  160.283   2.0922  7424.71  193.673   0.0000   0.0000  7424.71  193.673  ?   ?   160.283   2.0922      ?      ? 
1 1 1   12   27   -2 o  144.197   2.4969  5960.35  202.217  6264.59  330.268  5777.89  255.763  147.076   3.8881  141.318   3.1337 5.757172 4.993741 
1 1 1   12   28   -2 o   54.456   2.6263  861.820   82.102  891.893  111.380  826.035  121.499   55.509   3.4742   53.402   3.9394 2.106739 5.252509 
1 1 1   12   29   -2 o  100.389   2.5010  2926.61  144.023  2833.74  214.707  3002.58  194.193   98.920   3.7582  101.857   3.3011 -2.937401 5.002097 
1 1 1   12   30   -2 o  129.161   2.4280  4822.29  176.480  4797.52  225.247  4861.66  284.006  128.768   3.0288  129.554   3.7957 -0.7860870 4.855999 
1 1 1   12   31   -2 o   67.736   2.8164  1327.35  110.179   0.0000   0.0000  1327.35  110.179  ?   ?    67.736   2.8164      ?      ? 
1 1 1   12   32   -2 o   57.575   3.0267  963.469  100.426  925.228  144.991  998.733  139.232   56.464   4.4461   58.685   4.1079 -2.221233 6.053371 
1 1 1   12   33   -2 o  209.190   2.1157 12652.74  255.615 12652.74  255.615   0.0000   0.0000  209.190   2.1157  ?   ?       ?      ? 
1 1 1   12   34   -2 o   54.454   3.3379  856.206  104.382  995.685  154.330  738.601  141.712   58.524   4.5659   50.383   4.8701 8.141590 6.675764 
1 1 1   12   35   -2 o  107.767   2.5116  3409.25  151.842  3550.95  195.296  3192.67  241.445  110.698   3.0547  104.837   3.9877 5.861221 5.023223 
1 1 1   12   36   -2 o   98.444   2.8369  2770.15  156.304  2632.65  195.875  3011.20  259.343   95.213   3.5620  101.676   4.4164 -6.462440 5.673892 
1 1 1   12   37   -2 o   63.662   4.8110  1185.02  176.891  1185.02  176.891   0.0000   0.0000   63.662   4.8110  ?   ?       ?      ? 
1 1 1   12   38   -2 o  100.384   3.5868  2934.88  207.949   0.0000   0.0000  2934.88  207.949  ?   ?   100.384   3.5868      ?      ? 
1 1 1   12   39   -2 o   74.659   6.3027  1662.37  271.766  1662.37  271.766   0.0000   0.0000   74.659   6.3027  ?   ?       ?      ? 
1 1 1   12   40   -2 o   40.882   11.331  565.340  276.810   0.0000   0.0000  565.340  276.810  ?   ?    40.882   11.331      ?      ? 
1 1 1   12   41   -2 f   76.577   7.3222  1810.86  323.834   0.0000   0.0000  1810.86  323.834  ?   ?    76.577   7.3222      ?      ? 
1 1 1   12   42   -2 o   46.805   11.772  794.802  317.909   0.0000   0.0000  794.802  317.909  ?   ?    46.805   11.772      ?      ? 
1 1 1   12   43   -2 o   43.301   8.4843  626.564  204.590   0.0000   0.0000  626.564  204.590  ?   ?    43.301   8.4843      ?      ? 
1 1 1   12   44   -2 o   29.266   11.924  266.379  317.365   0.0000   0.0000  266.379  317.365  ?   ?    29.266   11.924      ?      ? 
1 1 1   12   45   -2 o   28.900   11.363  284.535  277.800   0.0000   0.0000  284.535  277.800  ?   ?    28.900   11.363      ?      ? 
1 1 1   12   46   -2 o   18.330   8.4402 -69.4807  206.311   0.0000   0.0000 -69.4807  206.311  ?   ?    18.330   8.4402      ?      ? 
1 1 1   12   47   -2 o   54.292   6.3210  950.961  198.202   0.0000   0.0000  950.961  198.202  ?   ?    54.292   6.3210      ?      ? 
1 1 1   12    0   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    1   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    2   -3 o  376.348   2.6180 40792.42  568.167 43316.33  831.724 38584.13  777.984  387.230   3.7190  365.467   3.6858 21.76233 5.236062 
1 1 1   12    3   -3 o  361.223   2.5596 37694.11  533.969 38056.44  754.771 37331.06  755.523  362.961   3.6006  359.484   3.6390 3.477112 5.119211 
1 1 1   12    4   -3 o  382.904   2.6963 42355.32  596.262 42296.21  842.339 42414.69  844.148  382.636   3.8117  383.172   3.8145 -0.5354309 5.392534 
1 1 1   12    5   -3 o  148.325   2.5707  6297.50  204.574  6201.53  246.252  6511.26  367.511  146.528   2.9099  150.122   4.2388 -3.594223 5.141471 
1 1 1   12    6   -3 o  190.823   1.9724 10591.97  209.854 10812.44  265.757 10226.80  342.023  193.485   2.3782  188.161   3.1473 5.324677 3.944817 
1 1 1   12    7   -3 o  292.253   2.0180 24706.87  322.894 24784.79  398.014 24556.84  552.255  292.940   2.3525  291.566   3.2796 1.373749 4.036091 
1 1 1   12    8   -3 o  130.326   2.8997  4976.08  201.954  5093.99  244.713  4724.30  357.603  132.794   3.1907  127.857   4.8427 4.937103 5.799387 
1 1 1   12    9   -3 o  202.249   1.6152 11815.10  185.110 11818.48  239.680 11810.09  291.405  202.289   2.0515  202.210   2.4952 0.7893372E-01 3.230308 
1 1 1   12   10   -3 o  291.024   2.3046 24462.37  387.356 24462.37  387.356   0.0000   0.0000  291.024   2.3046  ?   ?       ?      ? 
1 1 1   12   11   -3 o  313.922   2.0346 28343.92  345.946 28820.96  607.944 28115.47  420.701  315.849   3.3327  311.995   2.3348 3.854126 4.069164 
1 1 1   12   12   -3 o  246.638   1.7331 17458.28  219.432 17327.16  256.511 17816.03  423.706  244.937   1.8133  248.339   2.9542 -3.401703 3.466278 
1 1 1   12   13   -3 o  197.585   2.2544 11271.63  255.925 11206.59  344.325 11351.92  382.550  196.953   3.0270  198.217   3.3417 -1.263489 4.508847 
1 1 1   12   14   -3 o   78.241   3.3272  1742.72  130.989  1715.41  151.150  1825.11  262.510   77.050   3.3966   79.431   5.7223 -2.381218 6.654442 
1 1 1   12   15   -3 o  122.537   2.7022  4347.14  178.900  4360.83  217.667  4318.64  314.060  122.854   3.0677  122.221   4.4492 0.6329117 5.404311 
1 1 1   12   16   -3 f  183.115   1.8171  9684.99  192.167   0.0000   0.0000  9684.99  192.167  ?   ?   183.115   1.8171      ?      ? 
1 1 1   12   17   -3 o   51.983   3.2781  797.939   95.646  701.712  148.824  865.655  124.843   49.246   5.2326   54.720   3.9503 -5.474373 6.556281 
1 1 1   12   18   -3 o  100.185   2.2041  2894.10  127.180  2985.69  188.071  2816.93  172.639  101.640   3.2039   98.730   3.0276 2.909927 4.408101 
1 1 1   12   19   -3 o   78.323   2.4843  1769.93  109.802  1756.96  140.751  1790.08  175.504   77.967   3.1258   78.680   3.8622 -0.7129822 4.968635 
1 1 1   12   20   -3 o   14.821   4.9761 -185.7670  111.339 -135.6108  137.216 -282.4337  190.494   14.309   6.6888   15.334   7.3692 -1.024702 9.952138 
1 1 1   12   21   -3 o  108.350   2.1501  3383.84  132.326  3447.65  207.706  3340.25  171.675  109.198   3.2935  107.503   2.7650 1.694473 4.300263 
1 1 1   12   22   -3 o  353.421   2.3734 36095.72  484.453   0.0000   0.0000 36095.72  484.453  ?   ?   353.421   2.3734      ?      ? 
1 1 1   12   23   -3 o  130.536   1.6845  4883.53  119.676  5046.81  209.128  4804.02  145.934  132.128   2.7405  128.945   1.9596 3.183151 3.369045 
1 1 1   12   24   -3 o   14.942   5.1898 -313.0644  119.089 -238.7511  238.678 -337.6974  137.416   18.749   8.7827   11.135   5.5317 7.613740 10.37955 
1 1 1   12   25   -3 o  148.800   2.0740  6317.42  144.278  6550.43  320.307  6258.11  161.600  150.433   3.6867  147.166   1.9013 3.267426 4.148084 
1 1 1   12   26   -3 o  107.380   2.2026  3323.23  135.623  3236.65  180.249  3436.22  205.899  105.784   2.9503  108.977   3.2714 -3.192398 4.405277 
1 1 1   12   27   -3 o  160.329   2.1862  7423.48  178.143  7408.90  207.364  7464.58  348.051  160.099   2.2426  160.560   3.7534 -0.4605408 4.372323 
1 1 1   12   28   -3 o   67.532   3.1239  1330.95  121.011  1449.22  167.120  1200.57  175.454   70.725   4.0914   64.338   4.7219 6.387688 6.247822 
1 1 1   12   29   -3 o  241.182   2.1302 16812.98  296.720 16812.98  296.720   0.0000   0.0000  241.182   2.1302  ?   ?       ?      ? 
1 1 1   12   30   -3 o   67.780   4.2624  1331.81  166.855   0.0000   0.0000  1331.81  166.855  ?   ?    67.780   4.2624      ?      ? 
1 1 1   12   31   -3 o  183.098   2.3744  9711.02  250.614  9786.43  344.742  9626.50  364.964  183.868   3.2464  182.329   3.4659 1.539490 4.748818 
1 1 1   12   32   -3 o  107.449   3.2831  3343.11  203.738   0.0000   0.0000  3343.11  203.738  ?   ?   107.449   3.2831      ?      ? 
1 1 1   12   33   -3 o   29.670   9.3716  257.856  179.672  257.856  179.672   0.0000   0.0000   29.670   9.3716  ?   ?       ?      ? 
1 1 1   12   34   -3 o  185.778   2.3393  9993.94  250.878 10264.55  361.729  9743.12  348.244  188.195   3.3281  183.361   3.2885 4.834549 4.678662 
1 1 1   12   35   -3 o   25.390   7.0281  103.642  154.015   7.0753  213.532  208.355  222.356   22.155   9.4532   28.625   10.402 -6.470274 14.05613 
1 1 1   12   36   -3 o   53.144   5.0330  875.920  144.200  1048.82  193.613  660.546  216.092   59.841   5.6021   46.448   8.3630 13.39312 10.06597 
1 1 1   12   37   -3 o   73.082   3.5332  1552.98  149.131  1552.98  149.131   0.0000   0.0000   73.082   3.5332  ?   ?       ?      ? 
1 1 1   12   38   -3 o   90.162   2.7347  2371.22  141.580  2369.58  190.287  2373.24  211.902   90.176   3.6537   90.148   4.0700 0.2839661E-01 5.469415 
1 1 1   12   39   -3 o   59.646   7.7415  1079.33  266.679  1079.33  266.679   0.0000   0.0000   59.646   7.7415  ?   ?       ?      ? 
1 1 1   12   40   -3 o  101.181   3.6742  3006.66  210.210  2879.57  268.680  3207.20  337.524   98.705   4.7131  103.657   5.6379 -4.952065 7.348467 
1 1 1   12   41   -3 o   39.222   5.3063  493.098  116.599  753.774  170.143  262.272  160.105   49.955   5.8972   28.489   8.8232 21.46636 10.61257 
1 1 1   12   42   -3 o   14.363   7.2300 -753.9842  272.955   0.0000   0.0000 -753.9842  272.955  ?   ?    14.363   7.2300      ?      ? 
1 1 1   12   43   -3 o   59.627   3.7228  1053.04  128.204   0.0000   0.0000  1053.04  128.204  ?   ?    59.627   3.7228      ?      ? 
1 1 1   12   44   -3 o   64.643   5.2967  1276.15  197.747   0.0000   0.0000  1276.15  197.747  ?   ?    64.643   5.2967      ?      ? 
1 1 1   12   45   -3 o   47.935   7.5484  749.105  208.974   0.0000   0.0000  749.105  208.974  ?   ?    47.935   7.5484      ?      ? 
1 1 1   12   46   -3 o   62.708   6.3187  1251.77  228.844   0.0000   0.0000  1251.77  228.844  ?   ?    62.708   6.3187      ?      ? 
1 1 1   12   47   -3 o   40.297   9.3540  605.349  213.510   0.0000   0.0000  605.349  213.510  ?   ?    40.297   9.3540      ?      ? 
1 1 1   12    0   -4 o  111.138   3.3414  3575.68  209.303  3644.25  332.112  3530.51  269.576  111.962   5.1610  110.313   4.2455 -0.000000 0.000000 
1 1 1   12    1   -4 o  515.730   3.3722 76838.86  1004.22 74582.45  1410.09 79161.05  1430.49  508.047   4.8057  523.414   4.7321 -15.36719 6.744447 
1 1 1   12    2   -4 o  446.198   2.5997 57468.79  629.153 57644.96  1098.96 57382.90  767.346  446.678   4.2599  445.718   2.9809 0.9595337 5.199311 
1 1 1   12    3   -4 o  266.169   2.3733 20461.58  364.833 20461.58  364.833   0.0000   0.0000  266.169   2.3733  ?   ?       ?      ? 
1 1 1   12    4   -4 o  555.776   2.9602 89311.09  896.486 89449.11  1099.22 89036.92  1549.22  556.464   3.4203  555.088   4.8324 1.376587 5.920369 
1 1 1   12    5   -4 o  273.531   2.0125 21657.78  298.230 21746.92  363.853 21475.30  520.584  274.402   2.2959  272.660   3.3059 1.741913 4.024905 
1 1 1   12    6   -4 o  295.939   2.0066 25438.74  325.738 24840.08  552.377 25757.91  403.330  293.243   3.2615  298.635   2.3385 -5.392181 4.013245 
1 1 1   12    7   -4 o  125.932   2.3671  4594.80  167.341  4523.02  269.467  4639.86  213.498  125.124   3.7289  126.741   2.9167 -1.616913 4.734124 
1 1 1   12    8   -4 o  394.170   2.3151 44896.92  496.334 44924.48  607.299 44841.49  861.335  394.377   2.6663  393.964   3.7856 0.4129333 4.630286 
1 1 1   12    9   -4 o  151.840   1.8437  6627.53  160.790  6374.93  214.709  6950.09  242.624  148.563   2.5024  155.117   2.7083 -6.554153 3.687352 
1 1 1   12   10   -4 o  205.671   1.9953 12263.16  224.708 12359.47  277.373 12079.25  383.299  206.860   2.3217  204.481   3.2456 2.378937 3.990527 
1 1 1   12   11   -4 o  314.344   2.3317 28543.84  423.289 28929.36  602.301 28167.60  595.007  316.441   3.2956  312.247   3.2994 4.194153 4.663396 
1 1 1   12   12   -4 o  313.381   1.6834 28360.57  304.526 28563.57  438.357 28171.21  423.364  314.464   2.4136  312.299   2.3472 2.165009 3.366778 
1 1 1   12   13   -4 o  342.853   2.4076 33963.54  476.600 33929.82  665.840 33998.96  682.498  342.681   3.3643  343.025   3.4450 -0.3442688 4.815241 
1 1 1   12   14   -4 o  118.835   2.6902  4114.11  179.779  4233.51  231.247  3931.68  285.831  121.044   3.3079  116.626   4.2435 4.417473 5.380483 
1 1 1   12   15   -4 o  133.702   2.4799  5160.25  190.403  5113.44  255.413  5218.80  285.659  133.025   3.3245  134.378   3.6807 -1.353195 4.959841 
1 1 1   12   16   -4 o  237.079   1.9683 16233.96  269.363 16399.22  388.037 16080.28  374.214  238.241   2.8201  235.916   2.7465 2.324814 3.936542 
1 1 1   12   17   -4 o   85.254   3.0533  2100.32  150.338   0.0000   0.0000  2100.32  150.338  ?   ?    85.254   3.0533      ?      ? 
1 1 1   12   18   -4 o   96.710   3.2925  2703.32  183.900  2703.32  183.900   0.0000   0.0000   96.710   3.2925  ?   ?       ?      ? 
1 1 1   12   19   -4 o  352.033   2.3457 35805.37  476.916 35805.37  476.916   0.0000   0.0000  352.033   2.3457  ?   ?       ?      ? 
1 1 1   12   20   -4 o  153.950   2.3710  6848.19  210.814  6848.19  210.814   0.0000   0.0000  153.950   2.3710  ?   ?       ?      ? 
1 1 1   12   21   -4 o  163.750   1.8858  7752.55  177.802  7786.36  242.425  7713.18  261.564  164.142   2.5572  163.358   2.7724 0.7843018 3.771679 
1 1 1   12   22   -4 o  129.618   2.0775  4854.41  155.521  4854.41  155.521   0.0000   0.0000  129.618   2.0775  ?   ?       ?      ? 
1 1 1   12   23   -4 o  295.414   2.0642 25216.96  352.191 25216.96  352.191   0.0000   0.0000  295.414   2.0642  ?   ?       ?      ? 
1 1 1   12   24   -4 o   54.984   4.2299  875.590  134.325   0.0000   0.0000  875.590  134.325  ?   ?    54.984   4.2299      ?      ? 
1 1 1   12   25   -4 o  155.640   1.5264  6994.16  137.105  7166.42  198.603  6837.31  189.507  157.467   2.1838  153.812   2.1333 3.655396 3.052845 
1 1 1   12   26   -4 o  161.817   2.2491  7574.49  210.044  7542.47  291.326  7609.15  303.121  161.467   3.1240  162.168   3.2364 -0.7013855 4.498195 
1 1 1   12   27   -4 f   76.269   2.8120  1717.37  118.099  1572.14  194.982  1801.52  148.421   73.635   4.5848   78.903   3.2570 -5.268433 5.623939 
1 1 1   12   28   -4 o  171.589   2.3114  8460.23  226.688  8126.75  297.348  8923.03  350.290  167.601   3.0719  175.577   3.4544 -7.975830 4.622714 
1 1 1   12   29   -4 o  196.554   2.1981 11172.36  249.459 11448.16  357.921 10911.83  347.870  198.911   3.1156  194.197   3.1016 4.713562 4.396252 
1 1 1   12   30   -4 o   86.504   3.3713  2229.47  135.989  2073.12  294.426  2271.86  153.323   84.396   6.0404   88.612   2.9959 -4.215462 6.742563 
1 1 1   12   31   -4 o  162.653   2.5399  7655.01  238.473  7356.72  331.398  7975.35  343.427  159.369   3.6005  165.937   3.5835 -6.567841 5.079852 
1 1 1   12   32   -4 f  111.083   2.5693  3627.99  140.348  3474.92  284.462  3677.24  161.355  109.410   4.5018  112.756   2.4778 -3.345726 5.138598 
1 1 1   12   33   -4 o  103.371   3.1682  3092.36  172.960  3132.00  317.774  3075.68  206.174  103.719   5.3049  103.023   3.4651 0.6958694 6.336309 
1 1 1   12   34   -4 o   70.134   4.9945  1435.21  201.547  1619.02  297.454  1279.19  274.043   74.281   6.9335   65.987   7.1907 8.294106 9.989018 
1 1 1   12   35   -4 o   92.093   3.6762  2462.10  195.528  2462.10  195.528   0.0000   0.0000   92.093   3.6762  ?   ?       ?      ? 
1 1 1   12   36   -4 o  120.383   2.9838  4227.24  204.320  4263.86  267.457  4175.92  316.631  121.099   3.8241  119.666   4.5814 1.432487 5.967644 
1 1 1   12   37   -4 o  118.734   2.9086  4107.51  199.329  4190.82  288.032  4030.95  276.132  119.876   4.1603  117.593   4.0658 2.282921 5.817139 
1 1 1   12   38   -4 o   87.491   3.6403  2247.34  183.735  2397.35  266.118  2110.70  253.988   90.290   5.1033   84.693   5.1925 5.596542 7.280538 
1 1 1   12   39   -4 o   30.633   6.4612  290.564  110.713  290.564  110.713   0.0000   0.0000   30.633   6.4612  ?   ?       ?      ? 
1 1 1   12   40   -4 o   86.301   3.6991  2182.92  184.372   0.0000   0.0000  2182.92  184.372  ?   ?    86.301   3.6991      ?      ? 
1 1 1   12   41   -4 o   30.393   6.9390  196.799  109.570  134.911  119.054  539.468  280.142   21.693   7.6437   39.093   11.583 -17.40022 13.87792 
1 1 1   12   42   -4 o   27.735   8.5687  253.384  151.107   0.0000   0.0000  253.384  151.107  ?   ?    27.735   8.5687      ?      ? 
1 1 1   12   43   -4 o   13.697   6.5493 -169.0970  146.290   0.0000   0.0000 -169.0970  146.290  ?   ?    13.697   6.5493      ?      ? 
1 1 1   12   44   -4 o   45.445   8.3587  695.528  211.303   0.0000   0.0000  695.528  211.303  ?   ?    45.445   8.3587      ?      ? 
1 1 1   12   45   -4 o   57.128   4.6621  1038.54  153.404  981.128  220.062  1092.80  213.958   55.356   6.8833   58.900   6.2897 -3.544239 9.324169 
1 1 1   12   46   -4 o   76.515   5.3208  1815.51  235.129   0.0000   0.0000  1815.51  235.129  ?   ?    76.515   5.3208      ?      ? 
1 1 1   12   47   -4 f   17.477   8.1328 -81.7054  199.227   0.0000   0.0000 -81.7054  199.227  ?   ?    17.477   8.1328      ?      ? 
1 1 1   12    0   -5 o   86.622   4.0652  2232.06  197.424  1953.16  296.362  2454.56  264.710   81.475   6.3885   91.768   5.0291 -0.000000 0.000000 
1 1 1   12    1   -5 o  352.434   2.0328 35843.32  358.602 35809.74  414.146 35943.93  716.854  352.125   2.0364  352.742   3.5187 -0.6173096 4.065542 
1 1 1   12    2   -5 o  296.103   2.0406 25396.09  331.296 25096.95  564.058 25553.63  409.342  294.757   3.3134  297.449   2.3828 -2.692657 4.081228 
1 1 1   12    3   -5 o  283.236   2.0411 23140.89  306.047 23094.64  365.649 23249.09  559.289  282.778   2.2389  283.694   3.4135 -0.9161072 4.082235 
1 1 1   12    4   -5 o  448.558   2.9415 58133.91  762.008 58334.60  1074.62 57930.95  1080.69  449.338   4.1409  447.778   4.1788 1.559479 5.883001 
1 1 1   12    5   -5 o  385.840   2.6525 43004.45  591.034 42678.84  829.330 43340.51  842.524  384.356   3.7360  387.323   3.7664 -2.966553 5.305031 
1 1 1   12    6   -5 o  120.592   2.7438  4183.31  189.656  4060.88  251.548  4344.58  288.703  118.560   3.6737  122.625   4.0765 -4.065254 5.487584 
1 1 1   12    7   -5 o  235.611   1.5001 16006.13  199.058 16153.57  319.740 15912.82  254.364  236.492   2.3410  234.731   1.8763 1.761078 3.000102 
1 1 1   12    8   -5 o  323.684   2.1434 30253.33  377.764 30300.17  654.546 30229.94  462.580  323.854   3.4995  323.514   2.4758 0.3399048 4.286707 
1 1 1   12    9   -5 o  357.166   1.8344 36850.52  378.343 37043.50  531.224 36651.87  538.975  358.116   2.5684  356.216   2.6198 1.899841 3.668826 
1 1 1   12   10   -5 o  262.695   1.5727 19933.26  238.584 20199.03  337.070 19666.41  337.749  264.450   2.2069  260.940   2.2411 3.510651 3.145360 
1 1 1   12   11   -5 o  313.018   1.4805 28245.42  262.473 28573.56  415.012 28026.67  338.849  314.524   2.2847  311.511   1.8834 3.012909 2.960901 
1 1 1   12   12   -5 o  147.166   2.0956  6345.54  160.307  6464.85  190.124  6052.12  298.163  149.607   2.2004  144.725   3.5672 4.881989 4.191248 
1 1 1   12   13   -5 o  174.279   2.4225  8781.16  243.122  8711.99  357.005  8840.98  332.006  173.634   3.5600  174.924   3.2863 -1.289291 4.844975 
1 1 1   12   14   -5 o   79.904   3.5083  1790.53  157.935  1611.67  198.747  2097.03  260.164   74.661   4.6092   85.147   5.2904 -10.48676 7.016620 
1 1 1   12   15   -5 o   56.895   6.5051  937.295  213.750  937.295  213.750   0.0000   0.0000   56.895   6.5051  ?   ?       ?      ? 
1 1 1   12   16   -5 o  124.799   2.2247  4499.14  160.350  4499.14  160.350   0.0000   0.0000  124.799   2.2247  ?   ?       ?      ? 
1 1 1   12   17   -5 o   77.093   2.8728  1745.32  121.568  1629.65  203.317  1809.69  151.666   75.057   4.6903   79.129   3.3187 -4.071877 5.745640 
1 1 1   12   18   -5 o  248.843   2.0807 17789.59  295.962 18608.31  456.602 17196.37  388.665  253.740   3.1158  243.946   2.7586 9.793732 4.161497 
1 1 1   12   19   -5 o  204.443   2.0667 12079.76  243.988 12066.00  341.986 12094.01  348.201  204.326   2.8980  204.560   2.9473 -0.2341156 4.133408 
1 1 1   12   20   -5 o  148.120   2.3676  6358.19  201.795  6147.20  295.479  6542.62  276.252  145.802   3.5089  150.437   3.1795 -4.634689 4.735212 
1 1 1   12   21   -5 o  212.673   1.6888 13027.01  199.072 12917.68  248.240 13224.01  333.225  211.448   2.0327  213.899   2.6974 -2.450714 3.377568 
1 1 1   12   22   -5 o  194.756   1.9506 10931.55  218.526 11318.22  326.192 10616.70  294.342  197.864   2.8544  191.648   2.6593 6.215790 3.901223 
1 1 1   12   23   -5 o  167.296   2.1387  8087.78  206.645  8087.78  206.645   0.0000   0.0000  167.296   2.1387  ?   ?       ?      ? 
1 1 1   12   24   -5 o  149.308   2.2124  6448.22  190.781  6428.57  270.182  6467.77  269.431  149.080   3.1380  149.536   3.1197 -0.4553375 4.424890 
1 1 1   12   25   -5 o   79.775   2.9247  1840.59  134.752   0.0000   0.0000  1840.59  134.752  ?   ?    79.775   2.9247      ?      ? 
1 1 1   12   26   -5 o   20.802   7.7895   94.748  126.284   94.748  126.284   0.0000   0.0000   20.802   7.7895  ?   ?       ?      ? 
1 1 1   12   27   -5 o   64.506   3.4563  1204.41  128.766   0.0000   0.0000  1204.41  128.766  ?   ?    64.506   3.4563      ?      ? 
1 1 1   12   28   -5 o  151.671   2.3549  6650.28  206.279  6650.28  206.279   0.0000   0.0000  151.671   2.3549  ?   ?       ?      ? 
1 1 1   12   29   -5 o   77.220   3.2970  1853.53  130.432  1446.81  233.917  2037.05  157.127   70.542   5.7415   83.898   3.2428 -13.35554 6.594006 
1 1 1   12   30   -5 o  167.645   2.4886  8126.95  240.954   0.0000   0.0000  8126.95  240.954  ?   ?   167.645   2.4886      ?      ? 
1 1 1   12   31   -5 o   39.422   7.0813  467.561  155.301   0.0000   0.0000  467.561  155.301  ?   ?    39.422   7.0813      ?      ? 
1 1 1   12   32   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   33   -5 o   31.963   12.132  230.184  308.654   0.0000   0.0000  230.184  308.654  ?   ?    31.963   12.132      ?      ? 
1 1 1   12   34   -5 o   61.582   3.8252  1100.67  136.049   0.0000   0.0000  1100.67  136.049  ?   ?    61.582   3.8252      ?      ? 
1 1 1   12   35   -5 o   62.965   8.3726  1177.50  304.470   0.0000   0.0000  1177.50  304.470  ?   ?    62.965   8.3726      ?      ? 
1 1 1   12   36   -5 o  116.740   4.7507  3978.80  320.305   0.0000   0.0000  3978.80  320.305  ?   ?   116.740   4.7507      ?      ? 
1 1 1   12   37   -5 o   98.435   3.7315  2971.27  202.520  3575.21  269.947  2193.72  306.300  110.681   4.2230   86.190   6.1533 24.49106 7.463017 
1 1 1   12   38   -5 o   60.641   4.4915  1077.68  157.304   0.0000   0.0000  1077.68  157.304  ?   ?    60.641   4.4915      ?      ? 
1 1 1   12   39   -5 o  100.111   3.4023  2924.75  196.716   0.0000   0.0000  2924.75  196.716  ?   ?   100.111   3.4023      ?      ? 
1 1 1   12   40   -5 o  102.016   3.3058  3042.91  194.777   0.0000   0.0000  3042.91  194.777  ?   ?   102.016   3.3058      ?      ? 
1 1 1   12   41   -5 o   81.863   3.9271  1977.37  185.673   0.0000   0.0000  1977.37  185.673  ?   ?    81.863   3.9271      ?      ? 
1 1 1   12   42   -5 o   61.727   4.1361  1131.96  147.452   0.0000   0.0000  1131.96  147.452  ?   ?    61.727   4.1361      ?      ? 
1 1 1   12   43   -5 o   53.691   5.4826  880.463  170.008   0.0000   0.0000  880.463  170.008  ?   ?    53.691   5.4826      ?      ? 
1 1 1   12   44   -5 o   31.734   9.9864  362.512  204.182   0.0000   0.0000  362.512  204.182  ?   ?    31.734   9.9864      ?      ? 
1 1 1   12   45   -5 o   78.175   4.9767  1867.25  224.695   0.0000   0.0000  1867.25  224.695  ?   ?    78.175   4.9767      ?      ? 
1 1 1   12   46   -5 o   33.689   8.1894  398.534  157.791   0.0000   0.0000  398.534  157.791  ?   ?    33.689   8.1894      ?      ? 
1 1 1   12   47   -5 o   27.916   10.298  304.760  219.086   0.0000   0.0000  304.760  219.086  ?   ?    27.916   10.298      ?      ? 
1 1 1   12    0   -6 o   11.188   5.7533 -666.1716  211.354 -488.6944  286.094 -879.4109  313.596   11.941   8.5810   10.434   7.6661 -0.000000 0.000000 
1 1 1   12    1   -6 f  130.881   2.4611  4984.07  150.149  5009.05  168.595  4888.29  330.139  131.694   2.2166  130.068   4.3948 1.625916 4.922171 
1 1 1   12    2   -6 o  183.021   1.4711  9676.35  154.131  9690.11  204.926  9658.42  233.882  183.173   1.9371  182.870   2.2145 0.3030243 2.942139 
1 1 1   12    3   -6 o   69.820   4.8162  1354.65  187.457  1618.85  318.927  1215.19  231.708   74.809   7.3817   64.831   6.1883 9.977859 9.632457 
1 1 1   12    4   -6 o  248.407   1.5634 17820.47  223.178 17808.29  300.912 17835.36  332.724  248.315   2.0982  248.499   2.3183 -0.1847687 3.126842 
1 1 1   12    5   -6 o  169.921   2.0127  8401.53  188.040  8545.88  233.739  8136.73  316.583  172.013   2.3528  167.830   3.2661 4.182510 4.025321 
1 1 1   12    6   -6 o  233.416   1.8870 15718.97  245.766 15807.34  404.090 15667.09  309.611  233.929   2.9909  232.904   2.3017 1.025269 3.774089 
1 1 1   12    7   -6 o  248.620   1.5294 17854.58  219.551 17762.60  313.744 17942.84  307.339  247.992   2.1905  249.248   2.1350 -1.256149 3.058885 
1 1 1   12    8   -6 o  142.828   1.7929  5889.76  147.841  5798.40  205.818  5987.15  212.501  141.685   2.5152  143.972   2.5556 -2.286942 3.585738 
1 1 1   12    9   -6 o  321.558   1.7263 29866.93  320.584 29930.69  451.310 29801.99  455.467  321.905   2.4275  321.211   2.4552 0.6937561 3.452631 
1 1 1   12   10   -6 o  238.765   1.7391 16337.55  207.437 16211.00  238.929 16724.92  418.030  236.918   1.7462  240.612   3.0082 -3.694244 3.478260 
1 1 1   12   11   -6 f  321.493   1.3611 29852.09  252.705 29858.20  360.074 29846.17  354.743  321.525   1.9391  321.461   1.9107 0.6393433E-01 2.722287 
1 1 1   12   12   -6 o  127.712   2.4373  4782.57  172.299  4973.30  217.273  4459.40  282.823  131.206   2.8673  124.218   3.9422 6.987099 4.874685 
1 1 1   12   13   -6 o  144.235   2.3090  6007.84  173.964  6018.95  325.009  6003.38  205.950  144.310   3.8995  144.160   2.4736 0.1497955 4.617918 
1 1 1   12   14   -6 o  217.269   2.1419 13403.23  264.398 14916.51  421.276 12419.78  339.613  227.205   3.2104  207.334   2.8361 19.87042 4.283762 
1 1 1   12   15   -6 o  227.865   1.9961 14997.84  262.688   0.0000   0.0000 14997.84  262.688  ?   ?   227.865   1.9961      ?      ? 
1 1 1   12   16   -6 o  221.064   2.0451 14120.92  260.893 14122.60  376.740 14119.37  361.640  221.073   2.9507  221.054   2.8327 0.1960754E-01 4.090271 
1 1 1   12   17   -6 o   29.409   7.7442  183.418  149.971  215.799  331.430  175.080  168.173   32.780   12.540   26.037   9.0906 6.742737 15.48850 
1 1 1   12   18   -6 o  252.246   2.1716 18388.04  315.364 18419.00  465.050 18361.68  429.100  252.434   3.1898  252.059   2.9476 0.3755188 4.343208 
1 1 1   12   19   -6 o  115.558   1.6797  3832.94  108.394  3760.94  136.225  3957.19  178.957  114.097   2.0673  117.019   2.6479 -2.922157 3.359343 
1 1 1   12   20   -6 o   65.200   3.1170  1212.28  109.534  1280.48  196.030  1181.32  132.075   66.489   5.1049   63.912   3.5781 2.576988 6.234020 
1 1 1   12   21   -6 o  270.345   2.1026 21079.35  326.299 21573.93  491.725 20690.21  436.166  273.157   3.1169  267.534   2.8228 5.622589 4.205192 
1 1 1   12   22   -6 o  242.461   1.9969 16982.40  279.296 17259.16  406.321 16734.50  384.546  244.327   2.8795  240.596   2.7674 3.731277 3.993743 
1 1 1   12   23   -6 o   17.573   7.8713 -73.4321  164.778 -73.4321  164.778   0.0000   0.0000   17.573   7.8713  ?   ?       ?      ? 
1 1 1   12   24   -6 o   87.867   2.5523  2232.02  129.520  2232.02  129.520   0.0000   0.0000   87.867   2.5523  ?   ?       ?      ? 
1 1 1   12   25   -6 o  133.190   2.0674  4985.19  154.863  5759.19  256.061  4538.81  194.458  141.094   3.1423  125.287   2.6874 15.80730 4.134780 
1 1 1   12   26   -6 o   89.416   3.4576  2257.99  175.996  2709.45  279.016  1959.67  226.808   96.633   4.9994   82.199   4.7776 14.43406 6.915173 
1 1 1   12   27   -6 o   82.977   2.5089  1994.05  119.170  1986.40  180.770  1999.93  158.485   82.822   3.7791   83.131   3.3009 -0.3092651 5.017786 
1 1 1   12   28   -6 o  161.638   2.1277  7010.09  190.861  9792.76  330.156  5613.38  233.907  183.972   3.1073  139.304   2.9073 44.66800 4.255322 
1 1 1   12   29   -6 o   35.895   7.8385  371.216  176.495  449.855  279.018  318.762  227.878   38.672   11.583   33.118   10.564 5.554153 15.67709 
1 1 1   12   30   -6 o  154.563   2.3148  6807.40  204.936  7828.20  315.127  6059.27  269.776  164.442   3.3181  144.684   3.2285 19.75797 4.629548 
1 1 1   12   31   -6 o   41.859   5.2940  509.496  127.986   0.0000   0.0000  509.496  127.986  ?   ?    41.859   5.2940      ?      ? 
1 1 1   12   32   -6 o   94.125   3.9680  2572.07  214.895  2488.45  289.690  2674.40  320.446   92.456   5.4252   95.794   5.7920 -3.338310 7.936019 
1 1 1   12   33   -6 o   74.322   6.5013  1624.41  224.622  288.897  283.003  3898.12  369.262   33.009   11.768  115.634   5.5292 -82.62494 13.00256 
1 1 1   12   34   -6 o   88.938   3.9789  2331.39  201.403  2785.24  285.019  1878.77  284.634   97.761   5.0481   80.114   6.1516 17.64616 7.957736 
1 1 1   12   35   -6 o   69.211   7.6931  1418.16  307.512   0.0000   0.0000  1418.16  307.512  ?   ?    69.211   7.6931      ?      ? 
1 1 1   12   36   -6 o  112.946   4.8924  3729.19  319.139   0.0000   0.0000  3729.19  319.139  ?   ?   112.946   4.8924      ?      ? 
1 1 1   12   37   -6 o   15.216   7.4279 -378.6318  214.061   0.0000   0.0000 -378.6318  214.061  ?   ?    15.216   7.4279      ?      ? 
1 1 1   12   38   -6 o  133.948   3.0188  5217.77  233.535   0.0000   0.0000  5217.77  233.535  ?   ?   133.948   3.0188      ?      ? 
1 1 1   12   39   -6 o   67.872   5.4580  1368.39  213.948   0.0000   0.0000  1368.39  213.948  ?   ?    67.872   5.4580      ?      ? 
1 1 1   12   40   -6 o   17.876   8.3890 -182.9318  219.469   0.0000   0.0000 -182.9318  219.469  ?   ?    17.876   8.3890      ?      ? 
1 1 1   12   41   -6 o   17.578   8.2846 -186.1208  218.120   0.0000   0.0000 -186.1208  218.120  ?   ?    17.578   8.2846      ?      ? 
1 1 1   12   42   -6 o  102.590   3.6460  3109.50  216.027   0.0000   0.0000  3109.50  216.027  ?   ?   102.590   3.6460      ?      ? 
1 1 1   12   43   -6 o   29.626   10.415  304.386  220.932   0.0000   0.0000  304.386  220.932  ?   ?    29.626   10.415      ?      ? 
1 1 1   12   44   -6 o   23.475   9.5757  134.084  204.979   0.0000   0.0000  134.084  204.979  ?   ?    23.475   9.5757      ?      ? 
1 1 1   12   45   -6 o   56.815   7.3678  1053.72  241.762   0.0000   0.0000  1053.72  241.762  ?   ?    56.815   7.3678      ?      ? 
1 1 1   12   46   -6 o   37.568   9.6237  527.942  209.738   0.0000   0.0000  527.942  209.738  ?   ?    37.568   9.6237      ?      ? 
1 1 1   12    0   -7 o   64.638   5.6336  1198.59  169.441  1379.62  357.384  1146.10  192.445   66.996   9.8635   62.280   5.4461 -0.000000 0.000000 
1 1 1   12    1   -7 o  234.709   1.8556 15922.27  238.315 15944.99  293.458 15878.25  408.405  234.964   2.1625  234.454   3.0161 0.5094299 3.711255 
1 1 1   12    2   -7 o  173.707   2.2979  8703.06  216.344  8755.62  378.719  8677.59  263.585  174.085   3.7668  173.329   2.6331 0.7563324 4.595833 
1 1 1   12    3   -7 o  179.592   1.7089  9316.32  176.461  9309.02  262.153  9322.36  238.613  179.526   2.5284  179.658   2.2997 -0.1319885 3.417766 
1 1 1   12    4   -7 o  309.263   2.2775 27636.32  406.285 27774.24  561.380 27484.62  588.743  310.076   3.1347  308.449   3.3049 1.626862 4.555100 
1 1 1   12    5   -7 o  364.875   2.1451 38532.61  426.642 38684.75  523.612 38232.10  735.930  365.969   2.4773  363.781   3.5028 2.187805 4.290273 
1 1 1   12    6   -7 o  295.451   2.3975 25212.76  409.106   0.0000   0.0000 25212.76  409.106  ?   ?   295.451   2.3975      ?      ? 
1 1 1   12    7   -7 o  112.478   3.1898  3654.83  207.211  3654.83  207.211   0.0000   0.0000  112.478   3.1898  ?   ?       ?      ? 
1 1 1   12    8   -7 o  244.217   1.4963 17222.00  210.672 17156.02  289.227 17296.58  307.479  243.721   2.0548  244.714   2.1756 -0.9937134 2.992511 
1 1 1   12    9   -7 o  178.938   1.5293  9247.11  158.048   0.0000   0.0000  9247.11  158.048  ?   ?   178.938   1.5293      ?      ? 
1 1 1   12   10   -7 o   95.106   2.5015  2612.31  136.114  2604.39  180.426  2622.76  207.363   94.943   3.2904   95.270   3.7687 -0.3264694 5.002987 
1 1 1   12   11   -7 o  125.623   1.8907  4577.67  135.518  4431.67  206.673  4687.79  179.491  123.855   2.8893  127.391   2.4396 -3.536613 3.781464 
1 1 1   12   12   -7 f  303.166   2.3559 26565.28  411.725 26689.30  565.872 26425.75  600.175  303.924   3.2238  302.408   3.4364 1.516296 4.711846 
1 1 1   12   13   -7 o   65.694   4.2663  1264.52  131.702  1275.94  148.475  1222.33  285.255   66.442   3.8693   64.946   7.6049 1.495552 8.532659 
1 1 1   12   14   -7 o  140.359   1.8168  5697.98  146.950  5799.84  202.289  5584.17  213.828  141.691   2.4720  139.027   2.6631 2.663879 3.633535 
1 1 1   12   15   -7 o  313.177   1.9934 28185.18  336.930 28770.61  596.707 27911.17  408.235  315.519   3.2745  310.834   2.2740 4.684875 3.986708 
1 1 1   12   16   -7 o  138.942   2.3148  5577.17  185.749  5577.17  185.749   0.0000   0.0000  138.942   2.3148  ?   ?       ?      ? 
1 1 1   12   17   -7 o   84.712   2.5843  2070.17  126.267  1988.72  173.151  2162.68  184.528   82.938   3.6148   86.487   3.6942 -3.549042 5.168591 
1 1 1   12   18   -7 o  124.781   1.9262  4497.91  138.812   0.0000   0.0000  4497.91  138.812  ?   ?   124.781   1.9262      ?      ? 
1 1 1   12   19   -7 o   63.425   4.1149  1240.97  113.365  1053.60  262.698  1283.85  125.668   60.212   7.5542   66.638   3.2653 -6.425968 8.229724 
1 1 1   12   20   -7 o  198.992   2.0167 11366.99  216.377 11228.06  261.786 11666.57  384.412  197.121   2.2995  200.862   3.3137 -3.741577 4.033388 
1 1 1   12   21   -7 o  177.726   2.1862  9066.91  205.646  9299.12  377.792  8969.14  245.148  179.285   3.6486  176.167   2.4095 3.118652 4.372356 
1 1 1   12   22   -7 o  253.767   1.8268 18679.27  257.340 18850.89  322.965 18380.82  425.894  255.405   2.1895  252.128   2.9248 3.276810 3.653516 
1 1 1   12   23   -7 f   58.310   3.1986  979.737  105.622  1012.47  167.881  958.290  135.886   59.094   4.9190   57.526   4.0900 1.567326 6.397210 
1 1 1   12   24   -7 o   62.525   7.0303  1425.61  216.441  2117.25  283.358  456.819  335.359   85.375   5.7467   39.675   12.833 45.70056 14.06051 
1 1 1   12   25   -7 o   63.741   2.7099  1180.98   99.350  1074.67  142.012  1282.89  139.040   60.911   4.0369   66.571   3.6163 -5.659828 5.419795 
1 1 1   12   26   -7 f  147.734   2.7296  6273.88  231.786  6793.76  349.295  5864.84  309.831  153.151   3.9490  142.316   3.7695 10.83592 5.459292 
1 1 1   12   27   -7 o  131.943   2.3836  5032.88  181.635   0.0000   0.0000  5032.88  181.635  ?   ?   131.943   2.3836      ?      ? 
1 1 1   12   28   -7 o   53.932   3.9996  842.688  124.580   0.0000   0.0000  842.688  124.580  ?   ?    53.932   3.9996      ?      ? 
1 1 1   12   29   -7 o  150.091   2.4153  6528.89  203.094  6551.64  257.870  6491.73  329.586  150.482   2.9671  149.700   3.8121 0.7821045 4.830688 
1 1 1   12   30   -7 o  123.661   2.8391  4442.09  183.242  4410.05  341.877  4455.01  217.054  123.248   4.8029  124.075   3.0290 -0.8267517 5.678280 
1 1 1   12   31   -7 o  133.323   3.1390  5163.20  241.425  4888.42  341.910  5436.44  340.946  129.763   4.5622  136.882   4.3127 -7.119110 6.278017 
1 1 1   12   32   -7 f   94.445   3.4512  2605.19  161.609  2570.22  325.904  2616.60  186.101   93.857   6.0123   95.033   3.3907 -1.176224 6.902467 
1 1 1   12   33   -7 o  196.088   2.1090 11059.66  227.138 11380.44  389.072 10893.82  279.760  198.145   3.3999  194.031   2.4965 4.114105 4.218006 
1 1 1   12   34   -7 o  101.983   3.2470  2982.94  180.973  3164.49  315.277  2893.72  221.010  104.140   5.2419   99.825   3.8334 4.314621 6.494046 
1 1 1   12   35   -7 o   56.142   3.5145  915.267  113.955   0.0000   0.0000  915.267  113.955  ?   ?    56.142   3.5145      ?      ? 
1 1 1   12   36   -7 o   18.039   8.3585 -160.4386  206.985   0.0000   0.0000 -160.4386  206.985  ?   ?    18.039   8.3585      ?      ? 
1 1 1   12   37   -7 o   65.437   4.6902  1362.53  158.863  1045.69  276.751  1518.24  194.011   58.887   8.1374   71.987   4.6664 -13.10039 9.380480 
1 1 1   12   38   -7 o   78.434   4.1727  1873.55  176.973  1685.24  300.537  1973.51  218.962   74.919   6.9458   81.950   4.6263 -7.030640 8.345446 
1 1 1   12   39   -7 o   17.769   5.8896 -169.2722  148.291 -288.0097  253.278 -107.3392  182.921   18.131   8.6551   17.406   7.9900 0.7249088 11.77919 
1 1 1   12   40   -7 o   25.163   6.3538  186.008  117.517  220.517  150.561  132.210  187.991   26.495   8.6011   23.831   9.3545 2.663254 12.70765 
1 1 1   12   41   -7 o   16.638   5.4293 -104.7628  122.599 -46.4085  160.182 -187.2920  190.493   17.184   7.7243   16.093   7.6317 1.091101 10.85853 
1 1 1   12   42   -7 o   26.793   7.0933  223.011  138.622  247.283  157.417  139.189  292.535   27.291   8.7882   26.296   11.137 0.9950695 14.18665 
1 1 1   12   43   -7 o   17.013   5.4049 -48.5352  108.006 -95.8750  137.439   27.910  174.651   14.507   6.7522   19.518   8.4415 -5.011237 10.80975 
1 1 1   12   44   -7 o   34.415   7.1743  398.069  132.436  368.542  148.763  510.873  290.767   32.954   7.9155   35.876   11.968 -2.921848 14.34856 
1 1 1   12   45   -7 o   21.823   5.6643  122.209  104.866  245.513  143.998 -17.0293  153.019   26.599   8.3885   17.046   7.6139 9.553343 11.32867 
1 1 1   12   46   -7 o   17.918   5.7539 -17.9680  124.193   59.490  137.449 -362.4337  289.856   18.361   7.6972   17.475   8.5547 0.8865337 11.50782 
1 1 1   12    0   -8 o   10.306   7.3829 -329.6354  204.969 -329.6354  204.969   0.0000   0.0000   10.306   7.3829   10.306   7.3829 -0.000000 0.000000 
1 1 1   12    1   -8 o  107.686   2.1755  3349.38  135.287  3285.17  190.197  3415.13  192.473  106.641   3.0881  108.730   3.0650 -2.089119 4.350955 
1 1 1   12    2   -8 o   90.776   2.1413  2384.84  111.976  2305.58  162.611  2456.31  154.423   89.337   3.1516   92.214   2.8996 -2.876602 4.282515 
1 1 1   12    3   -8 o  232.530   1.8196 15654.66  214.245 15541.11  419.770 15694.65  249.137  231.944   3.1336  233.115   1.8505 -1.170898 3.639188 
1 1 1   12    4   -8 f  187.640   2.2622 10169.28  245.157 10169.28  245.157   0.0000   0.0000  187.640   2.2622  ?   ?       ?      ? 
1 1 1   12    5   -8 o  455.389   2.1720 59919.14  570.960 59523.90  818.872 60293.08  796.512  453.924   3.1235  456.854   3.0188 -2.929291 4.343902 
1 1 1   12    6   -8 o  261.875   2.2485 19807.78  340.075 19807.78  340.075   0.0000   0.0000  261.875   2.2485  ?   ?       ?      ? 
1 1 1   12    7   -8 o  474.127   2.6763 64640.67  692.557 65914.00  1199.58 64004.06  848.194  477.565   4.3492  470.689   3.1202 6.875793 5.352665 
1 1 1   12    8   -8 o  262.579   2.2322 19915.42  338.478 19566.03  474.993 20275.87  482.455  260.240   3.1603  264.919   3.1533 -4.678864 4.464355 
1 1 1   12    9   -8 o  276.871   2.3431 22142.50  374.680   0.0000   0.0000 22142.50  374.680  ?   ?   276.871   2.3431      ?      ? 
1 1 1   12   10   -8 o   69.483   4.2868  1359.86  147.517  1326.50  168.558  1469.03  304.906   67.743   4.3082   71.222   7.4125 -3.479172 8.573565 
1 1 1   12   11   -8 o  165.079   2.0328  7835.17  154.896  7810.24  172.991  7935.98  347.873  164.442   1.8215  165.715   3.6347 -1.272202 4.065609 
1 1 1   12   12   -8 o  184.627   1.4006  9847.60  147.499  9857.60  193.988  9833.89  227.094  184.741   1.8181  184.512   2.1311 0.2293396 2.801251 
1 1 1   12   13   -8 o  246.993   1.5008 17626.52  213.955 17481.16  307.238 17763.37  298.123  246.003   2.1625  247.983   2.0816 -1.980591 3.001523 
1 1 1   12   14   -8 o   99.118   2.1268  2837.65  120.743  2848.44  183.054  2829.34  160.646   99.281   3.1925   98.956   2.8109 0.3252258 4.253594 
1 1 1   12   15   -8 o  247.548   1.5226 17693.87  217.471 17515.51  300.352 17890.40  315.292  246.239   2.1120  248.857   2.1937 -2.617767 3.045123 
1 1 1   12   16   -8 f   13.920   4.9515 -493.3710  142.202 -820.1802  298.210 -397.1866  161.781   15.742   7.8718   12.098   6.0087 3.644185 9.903048 
1 1 1   12   17   -8 o  127.708   1.7844  4712.24  122.574  4713.48  217.394  4711.67  148.414  127.705   2.9475  127.710   2.0122 -0.4272461E-02 3.568835 
1 1 1   12   18   -8 o   90.166   2.9847  2328.83  148.489  2275.17  183.510  2430.59  252.709   88.701   3.5822   91.632   4.7752 -2.930435 5.969445 
1 1 1   12   19   -8 o  124.689   2.2797  4527.85  155.602  4599.90  192.423  4391.72  264.497  126.158   2.6409  123.220   3.7167 2.938202 4.559402 
1 1 1   12   20   -8 o   10.794   3.8611 -329.0407   85.971 -360.0109  169.008 -318.2296   99.856   12.965   6.3837   8.6243   4.3452 4.340230 7.722247 
1 1 1   12   21   -8 o   87.602   3.0391  2190.21  144.872  2316.46  254.549  2129.73  176.190   89.405   4.9297   85.799   3.5556 3.606239 6.078221 
1 1 1   12   22   -8 o  229.702   1.7837 15259.09  219.015 15233.61  392.716 15270.59  263.859  229.518   2.9626  229.886   1.9873 -0.3674774 3.567443 
1 1 1   12   23   -8 o   20.038   5.7893   43.177  105.949   58.020  141.791   24.413  159.422   20.120   8.0507   19.956   8.3216 0.1633129 11.57852 
1 1 1   12   24   -8 o  166.168   1.8842  7978.75  180.831   0.0000   0.0000  7978.75  180.831  ?   ?   166.168   1.8842      ?      ? 
1 1 1   12   25   -8 o   90.274   3.5188  2439.70  139.496  2482.47  154.351  2249.02  325.892   92.644   2.8847   87.905   6.4191 4.739746 7.037544 
1 1 1   12   26   -8 o  174.756   2.1712  8826.19  206.677  8807.90  253.113  8862.77  358.014  174.538   2.5110  174.974   3.5428 -0.4357758 4.342353 
1 1 1   12   27   -8 o  202.167   2.5068 11817.44  292.692   0.0000   0.0000 11817.44  292.692  ?   ?   202.167   2.5068      ?      ? 
1 1 1   12   28   -8 o   69.273   3.7518  1397.64  149.634  1455.46  206.459  1333.67  217.175   70.805   5.0487   67.741   5.5511 3.064819 7.503592 
1 1 1   12   29   -8 o   26.388   7.5571 -32.9118  206.061  278.925  284.393 -377.5649  298.983   32.924   11.791   19.851   9.4559 13.07327 15.11426 
1 1 1   12   30   -8 o  134.889   2.9792  5280.23  231.928  5401.27  324.486  5153.81  331.621  136.484   4.1165  133.295   4.3077 3.189056 5.958337 
1 1 1   12   31   -8 o   83.267   3.3208  1997.18  158.378  1891.65  208.769  2140.25  243.087   80.720   4.4782   85.814   4.9048 -5.094772 6.641588 
1 1 1   12   32   -8 o  100.032   3.2720  2857.81  184.458  3133.19  300.810  2691.86  233.514  103.770   5.0192   96.293   4.1989 7.476715 6.543901 
1 1 1   12   33   -8 f   85.524   4.6672  2109.49  226.890  1962.14  291.940  2334.25  360.557   81.893   6.1725   89.155   7.0023 -7.262413 9.334471 
1 1 1   12   34   -8 o  113.798   2.9040  3752.33  190.859   0.0000   0.0000  3752.33  190.859  ?   ?   113.798   2.9040      ?      ? 
1 1 1   12   35   -8 o   65.454   4.9422  1273.16  174.169  1246.38  305.731  1286.02  211.920   64.661   8.1867   66.246   5.5389 -1.584595 9.884438 
1 1 1   12   36   -8 o  104.660   3.0930  3176.64  176.768  3266.38  306.152  3131.77  216.503  105.577   5.0209  103.743   3.6134 1.833588 6.185966 
1 1 1   12   37   -8 o   14.031   4.9705 -560.6879  158.458 -769.5852  281.681 -463.9772  191.659   15.030   7.5354   13.033   6.4840 1.997321 9.941016 
1 1 1   12   38   -8 o   35.303   7.2810  421.334  161.439  267.424  274.170  503.020  199.737   30.945   11.499   39.661   8.9344 -8.715389 14.56207 
1 1 1   12   39   -8 o   66.525   5.3872  1318.88  206.985   0.0000   0.0000  1318.88  206.985  ?   ?    66.525   5.3872      ?      ? 
1 1 1   12   40   -8 f   40.789   6.2598  599.484  143.008  741.977  178.676  345.497  238.547   49.385   6.2645   32.192   10.840 17.19272 12.51966 
1 1 1   12   41   -8 o   49.769   6.1620  821.553  137.741  829.217  154.993  792.761  300.414   52.479   5.1138   47.058   11.213 5.421146 12.32396 
1 1 1   12   42   -8 o   45.056   4.8296  623.313  123.016  571.613  156.283  707.514  199.449   42.923   6.3043   47.189   7.3182 -4.266102 9.659254 
1 1 1   12   43   -8 f   19.978   6.4676 -34.8055  148.495  -7.7614  169.636 -123.4724  307.159   18.328   8.1111   21.629   10.076 -3.301729 12.93517 
1 1 1   12   44   -8 o   34.181   5.8271  406.310  114.535  338.757  166.823  466.548  157.530   31.004   8.8689   37.358   7.5607 -6.353426 11.65427 
1 1 1   12   45   -8 o   31.344   6.8880  400.610  135.944  443.958  146.782  139.176  360.468   36.389   7.2389   26.299   11.721 10.09079 13.77605 
1 1 1   12   46   -8 f   22.892   9.2471  154.815  189.006   0.0000   0.0000  154.815  189.006  ?   ?    22.892   9.2471      ?      ? 
1 1 1   12    0   -9 o   67.840   5.1241  1442.75  166.869  1234.67  312.747  1525.56  197.300   63.483   9.0653   72.196   4.7799 -0.000000 0.000000 
1 1 1   12    1   -9 o  415.707   2.4956 50019.38  569.217 50221.11  703.480 49636.86  968.699  416.956   2.9213  414.458   4.0469 2.498383 4.991140 
1 1 1   12    2   -9 o  379.095   2.3547 41698.69  488.509 42088.13  602.857 40954.01  833.653  381.712   2.7346  376.478   3.8341 5.233856 4.709370 
1 1 1   12    3   -9 o  249.329   1.5940 17953.01  229.511 17791.01  321.967 18120.38  327.252  248.186   2.2462  250.472   2.2622 -2.286484 3.187969 
1 1 1   12    4   -9 f  317.317   1.6796 29104.12  307.368 28663.53  444.893 29506.46  425.147  315.015   2.4453  319.618   2.3032 -4.603027 3.359195 
1 1 1   12    5   -9 o  344.140   2.4065 34208.65  478.303 34208.65  478.303   0.0000   0.0000  344.140   2.4065  ?   ?       ?      ? 
1 1 1   12    6   -9 o  159.730   2.0381  7369.07  188.015   0.0000   0.0000  7369.07  188.015  ?   ?   159.730   2.0381      ?      ? 
1 1 1   12    7   -9 o   56.086   5.1425  820.938  156.437  1193.35  288.772  666.246  186.113   64.190   7.7893   47.981   6.7162 16.20979 10.28500 
1 1 1   12    8   -9 o  286.296   2.0027 23663.93  312.177 23633.76  382.183 23724.43  541.141  286.042   2.3134  286.551   3.2698 -0.5091858 4.005453 
1 1 1   12    9   -9 o  169.577   2.2089  8361.12  192.785  8425.52  226.571  8192.19  366.957  170.788   2.2970  168.366   3.7738 2.422440 4.417867 
1 1 1   12   10   -9 o  257.061   2.2928 19087.99  340.406 19087.99  340.406   0.0000   0.0000  257.061   2.2928  ?   ?       ?      ? 
1 1 1   12   11   -9 o   86.958   2.8509  2186.16  143.152  2230.70  202.145  2141.36  202.751   87.847   3.9843   86.068   4.0788 1.779114 5.701867 
1 1 1   12   12   -9 o  263.011   1.4144 19954.75  208.528 20090.38  339.013 19872.21  264.479  263.720   2.2258  262.302   1.7458 1.418976 2.828816 
1 1 1   12   13   -9 o   74.624   3.3338  1613.55  140.522  1597.07  222.772  1624.44  181.097   74.294   5.1918   74.954   4.1834 -0.6597672 6.667502 
1 1 1   12   14   -9 f  127.063   2.1153  4663.90  155.229  4663.90  155.229   0.0000   0.0000  127.063   2.1153  ?   ?       ?      ? 
1 1 1   12   15   -9 o  147.096   1.8445  6259.62  135.007  6236.74  271.809  6267.12  155.552  146.895   3.2039  147.297   1.8285 -0.4019165 3.688916 
1 1 1   12   16   -9 o  167.122   1.4146  8071.08  134.686  8052.53  208.213  8084.44  176.614  166.952   2.1594  167.293   1.8279 -0.3410492 2.829196 
1 1 1   12   17   -9 o  232.000   1.7916 15546.51  228.201 15575.79  388.777 15531.12  281.865  232.142   2.8998  231.858   2.1049 0.2842712 3.583191 
1 1 1   12   18   -9 o  111.415   2.3124  3576.22  147.729  3693.47  224.234  3486.30  196.369  113.016   3.4354  109.815   3.0962 3.201035 4.624750 
1 1 1   12   19   -9 o   67.274   4.6677  1310.59  181.355   0.0000   0.0000  1310.59  181.355  ?   ?    67.274   4.6677      ?      ? 
1 1 1   12   20   -9 o   28.630   5.3674  243.579   90.566  295.904  134.221  199.842  122.712   31.266   7.5241   25.995   7.6566 5.271107 10.73475 
1 1 1   12   21   -9 o  217.405   2.2965 13667.93  287.612 13624.66  392.676 13718.01  422.444  217.046   3.1325  217.764   3.3589 -0.7173157 4.592936 
1 1 1   12   22   -9 o  180.110   1.7812  9372.66  185.285   0.0000   0.0000  9372.66  185.285  ?   ?   180.110   1.7812      ?      ? 
1 1 1   12   23   -9 o  175.832   1.7313  8922.53  173.239  9025.09  269.760  8850.54  226.001  176.675   2.6437  174.989   2.2362 1.685547 3.462651 
1 1 1   12   24   -9 o   52.297   6.0438  751.787   99.594  896.654  349.755  739.004  103.895   54.067   11.551   50.527   3.5603 3.540134 12.08754 
1 1 1   12   25   -9 o  232.911   2.4638 15683.63  331.420   0.0000   0.0000 15683.63  331.420  ?   ?   232.911   2.4638      ?      ? 
1 1 1   12   26   -9 o   64.903   4.0339  1220.33  151.208   0.0000   0.0000  1220.33  151.208  ?   ?    64.903   4.0339      ?      ? 
1 1 1   12   27   -9 o  140.942   2.2060  5659.94  163.424  5959.35  305.724  5540.16  193.370  143.456   3.6900  138.428   2.4187 5.027588 4.412051 
1 1 1   12   28   -9 o  264.296   2.4221 20196.96  369.714   0.0000   0.0000 20196.96  369.714  ?   ?   264.296   2.4221      ?      ? 
1 1 1   12   29   -9 o  115.930   3.5574  3975.33  232.033  4970.99  326.875  2964.06  329.427  130.920   4.3230  100.940   5.6508 29.97950 7.114782 
1 1 1   12   30   -9 o  103.867   3.8312  3165.39  226.028  2490.67  317.340  3860.13  322.016   92.458   5.9429  115.276   4.8367 -22.81800 7.662340 
1 1 1   12   31   -9 o  107.617   4.1562  3384.68  257.715  3552.95  358.804  3205.37  370.401  110.429   5.6258  104.804   6.1194 5.625557 8.312469 
1 1 1   12   32   -9 o   46.031   8.6648  645.692  221.902   0.0000   0.0000  645.692  221.902  ?   ?    46.031   8.6648      ?      ? 
1 1 1   12   33   -9 o  183.918   2.1731  9784.94  230.833   0.0000   0.0000  9784.94  230.833  ?   ?   183.918   2.1731      ?      ? 
1 1 1   12   34   -9 o   88.405   4.4117  2275.95  225.251   0.0000   0.0000  2275.95  225.251  ?   ?    88.405   4.4117      ?      ? 
1 1 1   12   35   -9 o  136.461   2.4494  5450.42  187.078  5246.54  301.613  5577.91  238.499  134.261   3.8897  138.661   2.9782 -4.400055 4.898890 
1 1 1   12   36   -9 o   87.065   3.3269  2151.28  159.338  2007.72  194.619  2443.15  277.500   82.949   4.0624   91.181   5.2696 -8.231697 6.653704 
1 1 1   12   37   -9 o   74.339   4.3811  1619.66  188.100  1619.66  188.100   0.0000   0.0000   74.339   4.3811  ?   ?       ?      ? 
1 1 1   12   38   -9 o   19.965   6.6950 -327.3649  208.348 -479.6024  284.873 -152.2775  305.504   17.452   8.5304   22.478   10.321 -5.026005 13.38992 
1 1 1   12   39   -9 o   17.898   5.9629 -193.5618  157.637 -400.6109  276.942 -94.3282  191.726   17.752   8.6167   18.045   8.2447 -0.2931995 11.92572 
1 1 1   12   40   -9 o   58.422   5.7829  1033.77  195.124   0.0000   0.0000  1033.77  195.124  ?   ?    58.422   5.7829      ?      ? 
1 1 1   12   41   -9 o   14.735   7.2940 -460.0682  230.965   0.0000   0.0000 -460.0682  230.965  ?   ?    14.735   7.2940      ?      ? 
1 1 1   12   42   -9 o   34.576   8.2674  403.808  162.861   0.0000   0.0000  403.808  162.861  ?   ?    34.576   8.2674      ?      ? 
1 1 1   12   43   -9 o   72.886   2.8042  1585.80  117.950  1571.83  169.717  1598.85  164.040   72.524   4.0519   73.249   3.8776 -0.7246857 5.608374 
1 1 1   12   44   -9 o   43.990   6.4625  613.969  164.189   0.0000   0.0000  613.969  164.189  ?   ?    43.990   6.4625      ?      ? 
1 1 1   12   45   -9 o   42.480   4.9374  582.460  120.046  538.937  157.597  642.619  185.284   40.818   6.6852   44.143   7.2676 -3.325226 9.874720 
1 1 1   12   46   -9 o   26.522   7.3333  248.557  140.945  249.601  153.861  243.112  351.444   26.121   8.7053   26.923   11.804 -0.8022289 14.66663 
1 1 1   12    0  -10 o  181.438   2.2743  9523.27  237.590  9605.31  325.758  9430.03  347.278  182.282   3.0963  180.594   3.3321 -0.000000 0.000000 
1 1 1   12    1  -10 o  117.515   2.6585  4001.77  169.340  3957.59  295.098  4023.46  206.773  117.017   4.3665  118.013   3.0337 -0.9963531 5.316933 
1 1 1   12    2  -10 o  330.435   1.7225 31538.76  328.716 31607.52  465.639 31470.46  464.113  330.794   2.4373  330.076   2.4346 0.7178650 3.444929 
1 1 1   12    3  -10 o   97.079   2.4179  2723.93  135.173  2735.43  184.490  2710.60  198.619   97.303   3.2829   96.856   3.5507 0.4467316 4.835779 
1 1 1   12    4  -10 o   87.271   3.9055  2166.19  181.790  2297.00  332.010  2110.19  217.250   89.098   6.4521   85.444   4.4025 3.654167 7.810944 
1 1 1   12    5  -10 o  338.068   1.5798 33006.90  301.697 33036.04  479.578 32987.81  388.118  338.182   2.4554  337.953   1.9885 0.2294922 3.159604 
1 1 1   12    6  -10 o  138.755   1.8362  5557.79  146.291  5526.40  196.288  5597.00  219.411  138.317   2.4572  139.193   2.7293 -0.8755188 3.672443 
1 1 1   12    7  -10 o  214.413   2.0339 13343.60  232.681 13445.09  280.386 13119.11  417.013  215.747   2.2502  213.078   3.3886 2.668594 4.067720 
1 1 1   12    8  -10 o  147.899   2.4611  6421.29  189.255  6557.07  224.645  6089.26  351.283  150.659   2.5818  145.140   4.1907 5.519012 4.922133 
1 1 1   12    9  -10 o  264.093   2.2357 20093.08  338.783 20657.83  512.136 19653.66  451.750  267.375   3.3165  260.811   2.9991 6.563629 4.471423 
1 1 1   12   10  -10 o  301.438   2.0176 26192.14  327.076 26086.67  395.583 26420.06  581.505  300.510   2.2793  302.366   3.3299 -1.856476 4.035275 
1 1 1   12   11  -10 o  378.551   2.2477 41473.52  459.968 41590.52  559.870 41230.55  806.794  379.421   2.5549  377.681   3.6987 1.739410 4.495364 
1 1 1   12   12  -10 o  131.304   2.1712  4993.08  156.441  4946.94  266.043  5017.47  193.414  130.824   3.5211  131.783   2.5412 -0.9586182 4.342342 
1 1 1   12   13  -10 o  125.151   2.5748  4494.37  174.939  4625.61  306.911  4431.21  212.914  126.472   4.2018  123.830   2.9771 2.641998 5.149551 
1 1 1   12   14  -10 o  230.512   1.9128 15222.79  236.324 15704.90  425.113 15007.16  284.303  233.103   3.1577  227.920   2.1598 5.183594 3.825673 
1 1 1   12   15  -10 o  114.876   1.9396  3869.68  125.287  3546.67  196.733  4090.06  162.499  110.773   3.0751  118.979   2.3648 -8.205788 3.879240 
1 1 1   12   16  -10 f  201.314   1.4616 11705.17  164.627 11721.59  268.551 11695.29  208.370  201.416   2.3086  201.212   1.7931 0.2035828 2.923132 
1 1 1   12   17  -10 o  176.592   1.8244  8939.78  158.302  9150.31  326.839  8875.26  180.942  177.904   3.1810  175.280   1.7874 2.623810 3.648775 
1 1 1   12   18  -10 o  159.894   2.3821  7389.37  217.988  7363.02  289.227  7424.02  331.677  159.580   3.1382  160.209   3.5846 -0.6290588 4.764205 
1 1 1   12   19  -10 o  221.310   2.0712 14156.95  264.701 13890.51  371.052 14433.07  377.724  219.190   2.9311  223.430   2.9272 -4.240112 4.142418 
1 1 1   12   20  -10 o  128.691   2.6855  4787.77  199.603   0.0000   0.0000  4787.77  199.603  ?   ?   128.691   2.6855      ?      ? 
1 1 1   12   21  -10 o  108.936   2.0605  3407.47  122.309  3504.55  212.978  3359.70  149.402  110.061   3.3505  107.812   2.3994 2.249641 4.121083 
1 1 1   12   22  -10 o  327.184   2.5353 30948.04  479.072   0.0000   0.0000 30948.04  479.072  ?   ?   327.184   2.5353      ?      ? 
1 1 1   12   23  -10 f   53.811   7.5692  883.265  226.910  824.180  320.980  942.291  320.817   51.896   11.048   55.725   10.349 -3.829052 15.13833 
1 1 1   12   24  -10 o  165.373   2.8275  7909.56  270.059   0.0000   0.0000  7909.56  270.059  ?   ?   165.373   2.8275      ?      ? 
1 1 1   12   25  -10 o  114.730   2.0915  3776.70  132.031  3707.90  162.818  3908.81  225.626  113.246   2.4894  116.215   3.3616 -2.969467 4.182972 
1 1 1   12   26  -10 f  309.778   2.4550 27744.99  439.220   0.0000   0.0000 27744.99  439.220  ?   ?   309.778   2.4550      ?      ? 
1 1 1   12   27  -10 o   36.555   8.5939  407.297  178.378   0.0000   0.0000  407.297  178.378  ?   ?    36.555   8.5939      ?      ? 
1 1 1   12   28  -10 o  168.834   2.6830  8244.69  261.620   0.0000   0.0000  8244.69  261.620  ?   ?   168.834   2.6830      ?      ? 
1 1 1   12   29  -10 o   23.761   10.171  -2.3325  248.587   0.0000   0.0000  -2.3325  248.587  ?   ?    23.761   10.171      ?      ? 
1 1 1   12   30  -10 o  142.007   2.8244  5799.79  230.445  6323.76  348.193  5391.40  307.403  147.653   4.0831  136.361   3.9033 11.29253 5.648699 
1 1 1   12   31  -10 o   28.650   10.477  202.414  226.040   0.0000   0.0000  202.414  226.040  ?   ?    28.650   10.477      ?      ? 
1 1 1   12   32  -10 o  262.167   2.2466 19882.11  340.161 19882.11  340.161   0.0000   0.0000  262.167   2.2466  ?   ?       ?      ? 
1 1 1   12   33  -10 o  118.127   3.7976  4080.20  258.491  4004.24  376.524  4147.91  355.503  117.035   5.5705  119.219   5.1631 -2.183609 7.595253 
1 1 1   12   34  -10 o  159.706   2.5414  7536.14  215.385  7085.30  384.866  7741.73  259.896  155.969   4.2725  163.443   2.7533 -7.473877 5.082829 
1 1 1   12   35  -10 o  100.505   3.6223  2960.17  210.243  3009.15  299.321  2912.47  295.376  101.328   5.1147   99.682   5.1306 1.645607 7.244589 
1 1 1   12   36  -10 o  162.245   2.2093  7629.80  200.580  7746.60  328.059  7560.06  253.479  163.101   3.4827  161.388   2.7195 1.712357 4.418643 
1 1 1   12   37  -10 o   13.919   6.8940 -457.3244  207.417   0.0000   0.0000 -457.3244  207.417  ?   ?    13.919   6.8940      ?      ? 
1 1 1   12   38  -10 o   82.316   4.1203  2080.24  184.217  1852.00  308.797  2206.34  229.536   78.180   6.8390   86.452   4.5972 -8.272400 8.240520 
1 1 1   12   39  -10 o   59.630   5.4541  1186.14  148.306  976.821  299.071  1254.40  170.784   54.224   9.9153   65.037   4.5467 -10.81387 10.90810 
1 1 1   12   40  -10 f   57.401   5.3904  1017.99  167.388  1097.57  296.366  980.706  202.839   58.209   8.8156   56.594   6.2058 1.614964 10.78088 
1 1 1   12   41  -10 o   67.120   4.5561  1385.83  175.764  1260.82  235.086  1544.27  264.672   63.763   6.3837   70.476   6.5025 -6.713341 9.112280 
1 1 1   12   42  -10 o   52.686   7.4625  891.584  227.074   0.0000   0.0000  891.584  227.074  ?   ?    52.686   7.4625      ?      ? 
1 1 1   12   43  -10 f   23.862   6.8090  143.331  142.987  106.431  186.475  195.986  222.756   22.058   9.0809   25.666   10.148 -3.607975 13.61800 
1 1 1   12   44  -10 o   15.873   5.3740 -220.6505  144.488 -90.8890  182.712 -437.2537  236.062   16.895   7.8371   14.851   7.3552 2.044531 10.74795 
1 1 1   12   45  -10 o   31.969   8.0044  350.224  170.845  234.575  200.630  655.297  325.858   25.851   9.7884   38.087   12.668 -12.23611 16.00878 
1 1 1   12    0  -11 o  124.132   2.5685  4456.08  183.959   0.0000   0.0000  4456.08  183.959  124.132   2.5685  124.132   2.5685 -0.000000 0.000000 
1 1 1   12    1  -11 o   24.332   8.6147  148.323  151.396  148.323  151.396   0.0000   0.0000   24.332   8.6147  ?   ?       ?      ? 
1 1 1   12    2  -11 o  121.594   2.6414  4271.09  185.498   0.0000   0.0000  4271.09  185.498  ?   ?   121.594   2.6414      ?      ? 
1 1 1   12    3  -11 o   70.900   4.8286  1455.30  179.351  1455.44  212.817  1454.96  333.171   70.943   5.1941   70.857   8.1414 0.8608246E-01 9.657246 
1 1 1   12    4  -11 o  179.386   2.0907  9286.45  208.567  9258.22  261.561  9335.75  345.617  179.023   2.5297  179.748   3.3292 -0.7249756 4.181324 
1 1 1   12    5  -11 o  140.286   2.6082  5742.44  202.038  5882.06  252.888  5496.08  335.930  142.683   3.0688  137.889   4.2182 4.793396 5.216443 
1 1 1   12    6  -11 o  102.234   3.4710  3069.67  187.239  3142.06  224.669  2905.06  338.789  104.268   3.7308  100.199   5.8544 4.069328 6.942098 
1 1 1   12    7  -11 o  189.131   2.1636 10258.14  211.120 10507.61  404.751 10164.90  247.449  190.675   3.6754  187.588   2.2840 3.087402 4.327293 
1 1 1   12    8  -11 o  265.006   1.5670 20291.35  239.722 20459.72  334.640 20113.87  343.574  266.137   2.1771  263.875   2.2544 2.261932 3.134070 
1 1 1   12    9  -11 o  243.596   1.9185 17178.00  253.027 17046.24  442.309 17242.09  308.490  242.878   3.1532  244.313   2.1863 -1.434494 3.837002 
1 1 1   12   10  -11 o  188.988   1.5957 10321.08  174.015 10401.59  241.549 10234.21  250.906  189.756   2.2041  188.220   2.3081 1.536148 3.191454 
1 1 1   12   11  -11 o  486.126   3.2447 68298.33  910.992   0.0000   0.0000 68298.33  910.992  ?   ?   486.126   3.2447      ?      ? 
1 1 1   12   12  -11 o  189.004   2.1404 10319.62  233.647 10319.62  233.647   0.0000   0.0000  189.004   2.1404  ?   ?       ?      ? 
1 1 1   12   13  -11 o  330.936   2.3416 31632.32  446.906 31210.98  613.942 32107.21  651.796  328.601   3.2350  333.271   3.3863 -4.669342 4.683201 
1 1 1   12   14  -11 o   19.477   6.3385 -161.9097  160.312 -48.4897  188.463 -458.7949  304.913   19.661   8.6311   19.294   9.2851 0.3670979 12.67707 
1 1 1   12   15  -11 o   38.185   7.5947  444.683  175.366  356.335  273.770  506.157  228.368   35.521   11.601   40.849   9.8044 -5.328461 15.18944 
1 1 1   12   16  -11 o  144.923   2.5459  6036.01  211.376  5791.54  279.322  6363.63  323.351  141.522   3.4174  148.324   3.7746 -6.802811 5.091815 
1 1 1   12   17  -11 o   93.360   2.8912  2554.82  150.637  2657.90  192.108  2390.27  242.728   95.865   3.4698   90.856   4.6258 5.008781 5.782475 
1 1 1   12   18  -11 o  148.555   1.9996  6383.61  171.400  6282.31  246.625  6478.25  238.379  147.410   2.8968  149.700   2.7572 -2.289383 3.999197 
1 1 1   12   19  -11 o   19.487   5.1222   51.296   92.808  167.299  112.024 -202.5506  165.715   23.980   7.3728   14.994   7.1127 8.985940 10.24442 
1 1 1   12   20  -11 o   12.798   6.2651 -302.4277  155.493   0.0000   0.0000 -302.4277  155.493  ?   ?    12.798   6.2651      ?      ? 
1 1 1   12   21  -11 o  104.595   1.9393  3188.60  115.063  3309.75  150.894  3020.29  177.859  107.002   2.4417  102.188   3.0136 4.814095 3.878641 
1 1 1   12   22  -11 o   56.890   3.5839  943.357  117.080  889.344  171.953  990.041  159.861   55.348   5.3793   58.432   4.7370 -3.084274 7.167724 
1 1 1   12   23  -11 o  164.102   2.2557  7709.67  169.056  7658.42  188.012  7926.07  386.339  162.789   1.9997  165.414   4.0440 -2.624557 4.511427 
1 1 1   12   24  -11 o   85.706   2.8603  2001.45  112.792  1924.75  124.854  2341.84  263.024   81.585   2.6498   89.828   5.0699 -8.242622 5.720587 
1 1 1   12   25  -11 o  213.361   1.9049 13117.88  224.842 13327.32  378.057 13003.26  279.680  214.630   3.0499  212.091   2.2832 2.539017 3.809846 
1 1 1   12   26  -11 o  160.593   2.6810  7458.59  248.663   0.0000   0.0000  7458.59  248.663  ?   ?   160.593   2.6810      ?      ? 
1 1 1   12   27  -11 o   68.105   3.7774  1449.17  130.544  1590.10  156.348  1124.73  237.214   74.097   3.6535   62.112   6.6127 11.98478 7.554813 
1 1 1   12   28  -11 o  193.699   2.5668 10851.31  287.151   0.0000   0.0000 10851.31  287.151  ?   ?   193.699   2.5668      ?      ? 
1 1 1   12   29  -11 o  103.465   3.8641  3131.31  226.672  3025.71  352.850  3205.51  295.774  101.891   5.9961  105.038   4.8756 -3.147110 7.728174 
1 1 1   12   30  -11 o  135.595   3.1029  5399.10  238.867  4963.08  364.486  5727.35  316.246  130.663   4.8299  140.527   3.8966 -9.863129 6.205759 
1 1 1   12   31  -11 o   32.061   8.1876  125.218  230.105  536.527  332.776 -251.6179  318.526   41.772   12.681   22.350   10.360 19.42185 16.37524 
1 1 1   12   32  -11 o  140.252   2.9076  5698.14  235.518   0.0000   0.0000  5698.14  235.518  ?   ?   140.252   2.9076      ?      ? 
1 1 1   12   33  -11 o  202.920   2.4225 11952.13  283.887 12023.41  399.608 11879.50  403.371  203.539   3.3994  202.301   3.4524 1.237671 4.845099 
1 1 1   12   34  -11 o   94.529   3.5793  2558.47  188.241  2822.32  317.747  2415.79  233.658   98.060   5.6105   90.997   4.4460 7.063194 7.158546 
1 1 1   12   35  -11 o   79.226   5.3354  1844.98  244.127   0.0000   0.0000  1844.98  244.127  ?   ?    79.226   5.3354      ?      ? 
1 1 1   12   36  -11 o  134.540   2.7665  5274.41  198.279  5324.70  358.235  5252.20  238.071  134.700   4.6048  134.379   3.0675 0.3210144 5.533016 
1 1 1   12   37  -11 o   36.039   7.9057  405.925  167.072  467.607  324.591  383.694  194.867   37.645   12.645   34.432   9.4929 3.213135 15.81136 
1 1 1   12   38  -11 o  113.135   3.3548  3744.63  219.201   0.0000   0.0000  3744.63  219.201  ?   ?   113.135   3.3548      ?      ? 
1 1 1   12   39  -11 o   64.007   4.9611  1234.97  163.202  1335.98  315.800  1198.16  190.632   64.815   8.4363   63.199   5.2228 1.615963 9.922099 
1 1 1   12   40  -11 f   59.942   5.9699  1257.72  171.987  950.295  311.107  1393.02  206.393   51.992   10.717   67.893   5.2636 -15.90117 11.93988 
1 1 1   12   41  -11 o  101.522   3.5283  3051.91  199.111  2884.01  247.140  3362.49  336.121   98.173   4.3588  104.872   5.5495 -6.699013 7.056596 
1 1 1   12   42  -11 o   69.412   5.8002  1488.97  232.521   0.0000   0.0000  1488.97  232.521  ?   ?    69.412   5.8002      ?      ? 
1 1 1   12   43  -11 o   22.174   9.6094   66.291  227.239   0.0000   0.0000   66.291  227.239  ?   ?    22.174   9.6094      ?      ? 
1 1 1   12   44  -11 o   48.281   6.0503  810.696  163.899  876.029  227.304  739.941  236.547   51.289   7.6736   45.272   9.3562 6.016418 12.10056 
1 1 1   12   45  -11 o   11.268   5.7060 -569.8024  185.505   0.0000   0.0000 -569.8024  185.505  ?   ?    11.268   5.7060      ?      ? 
1 1 1   12    0  -12 f   16.206   7.7197 -296.3481  202.225  115.841  325.590 -555.2241  258.029   21.942   13.435   10.469   7.6073 -0.000000 0.000000 
1 1 1   12    1  -12 o  247.575   1.2123 17669.27  171.702 17463.18  227.084 17944.37  262.364  245.896   1.5990  249.255   1.8225 -3.359055 2.424553 
1 1 1   12    2  -12 o   44.305   6.8148  560.772  144.451  614.605  318.358  546.815  162.098   45.149   12.003   43.461   6.4579 1.688072 13.62959 
1 1 1   12    3  -12 o   13.982   4.6735 -220.8291  104.692 -71.0135  145.408 -382.0851  150.857   16.403   7.3676   11.561   5.7520 4.841855 9.347015 
1 1 1   12    4  -12 o   78.772   3.8315  1806.14  165.553  1759.63  280.523  1831.00  205.074   77.966   6.2299   79.578   4.4620 -1.612488 7.662937 
1 1 1   12    5  -12 o  206.396   1.8546 12388.51  194.994 12133.83  377.214 12481.39  227.790  204.917   3.1873  207.875   1.8973 -2.958145 3.709289 
1 1 1   12    6  -12 o  158.145   1.8745  7214.89  169.864  7309.46  257.637  7142.18  225.923  159.056   2.8046  157.234   2.4879 1.821747 3.749053 
1 1 1   12    7  -12 o  436.297   2.4680 54756.55  533.936 55522.88  1085.28 54511.82  613.292  438.206   4.2882  434.387   2.4446 3.819214 4.936081 
1 1 1   12    8  -12 o  165.429   2.4878  7906.37  237.687   0.0000   0.0000  7906.37  237.687  ?   ?   165.429   2.4878      ?      ? 
1 1 1   12    9  -12 o   12.697   4.5071 -612.5139  145.258 -527.9839  198.176 -710.6530  213.534   13.001   6.4880   12.394   6.2580 0.6069469 9.014262 
1 1 1   12   10  -12 o  276.910   1.9164 22149.52  306.491   0.0000   0.0000 22149.52  306.491  ?   ?   276.910   1.9164      ?      ? 
1 1 1   12   11  -12 o   28.647   7.6224 -101.7275  203.298  464.392  333.850 -435.3844  256.299   40.174   12.784   17.120   8.3053 23.05431 15.24472 
1 1 1   12   12  -12 o  480.138   2.7807 66528.18  732.122 67117.48  1252.51 66222.34  902.321  481.641   4.5027  478.636   3.2642 3.004761 5.561372 
1 1 1   12   13  -12 o  247.438   2.4692 17691.28  352.866   0.0000   0.0000 17691.28  352.866  ?   ?   247.438   2.4692      ?      ? 
1 1 1   12   14  -12 o  163.838   2.1493  7861.04  190.307  7466.86  330.001  8057.46  232.944  160.690   3.5558  166.987   2.4154 -6.296661 4.298603 
1 1 1   12   15  -12 o   22.770   9.5724   20.242  213.559   0.0000   0.0000   20.242  213.559  ?   ?    22.770   9.5724      ?      ? 
1 1 1   12   16  -12 o   57.092   5.1871  944.533  171.035   0.0000   0.0000  944.533  171.035  ?   ?    57.092   5.1871      ?      ? 
1 1 1   12   17  -12 o  120.955   1.8470  4213.96  125.408  4166.51  159.146  4291.68  203.691  120.074   2.2949  121.837   2.8947 -1.763588 3.694050 
1 1 1   12   18  -12 o  164.504   2.4023  7807.07  206.222  7878.38  386.552  7778.69  243.818  164.966   4.0572  164.042   2.5735 0.9238586 4.804569 
1 1 1   12   19  -12 o  159.899   2.0928  7416.66  188.316  7291.07  301.142  7497.31  241.322  158.757   3.2844  161.040   2.5946 -2.283249 4.185602 
1 1 1   12   20  -12 o  168.047   1.8214  8130.29  174.318  8364.56  271.775  7966.56  227.212  170.080   2.7668  166.014   2.3697 4.066101 3.642892 
1 1 1   12   21  -12 o  137.674   2.7446  5481.04  218.230   0.0000   0.0000  5481.04  218.230  ?   ?   137.674   2.7446      ?      ? 
1 1 1   12   22  -12 o   33.965   5.7947  384.117  110.989  456.813  131.485  203.926  207.007   39.649   5.7420   28.282   10.067 11.36652 11.58936 
1 1 1   12   23  -12 o   73.832   4.0031  1593.50  169.142  1666.85  227.693  1503.19  252.658   75.775   5.2028   71.889   6.0853 3.885757 8.006282 
1 1 1   12   24  -12 o  169.424   2.6806  8300.92  262.297   0.0000   0.0000  8300.92  262.297  ?   ?   169.424   2.6806      ?      ? 
1 1 1   12   25  -12 o   32.198   6.9306  310.404  142.744  371.887  187.503  225.653  220.143   34.953   9.1728   29.444   10.392 5.509781 13.86122 
1 1 1   12   26  -12 o   80.264   3.1673  1870.21  145.150  1880.56  191.677  1856.30  222.246   80.551   4.1201   79.977   4.8115 0.5742188 6.334522 
1 1 1   12   27  -12 o  127.727   2.2443  4725.34  165.301  4657.70  239.594  4786.78  228.353  126.845   3.2705  128.609   3.0743 -1.764046 4.488624 
1 1 1   12   28  -12 o  158.055   2.9485  7163.92  260.688  7566.89  430.636  6930.82  327.517  161.446   4.6185  154.663   3.6666 6.782928 5.896950 
1 1 1   12   29  -12 o   64.003   5.9233  1301.76  169.911  1365.74  193.189  1083.22  357.046   68.547   4.8799   59.460   10.795 9.086922 11.84653 
1 1 1   12   30  -12 f  199.061   2.6966 11516.61  308.043 11284.61  459.871 11705.43  414.872  197.186   4.0381  200.937   3.5749 -3.751846 5.393169 
1 1 1   12   31  -12 o  119.143   3.2911  4118.92  222.365  4070.85  287.615  4190.35  350.599  118.363   4.2073  119.922   5.0620 -1.558838 6.582247 
1 1 1   12   32  -12 o   17.595   5.9755 -348.6870  176.456 -383.9435  257.236 -317.3524  242.507   17.556   8.4690   17.635   8.4322 -0.7841492E-01 11.95096 
1 1 1   12   33  -12 o  107.277   2.9117  3339.68  174.060  3309.68  218.655  3391.57  287.594  106.734   3.5471  107.821   4.6184 -1.086739 5.823349 
1 1 1   12   34  -12 o   51.588   7.1757  763.849  190.517  1042.54  362.389  657.400  223.966   57.148   11.380   46.028   8.7448 11.11986 14.35149 
1 1 1   12   35  -12 o   30.425   8.5595  146.735  241.753 -107.0485  354.211  368.040  330.771   25.480   11.467   35.370   12.711 -9.889746 17.11891 
1 1 1   12   36  -12 o   58.149   5.8163  1004.67  195.331   0.0000   0.0000  1004.67  195.331  ?   ?    58.149   5.8163      ?      ? 
1 1 1   12   37  -12 o   81.692   4.3307  1966.20  187.026  2097.29  345.908  1912.05  222.325   82.976   7.2181   80.407   4.7875 2.569458 8.661455 
1 1 1   12   38  -12 o  110.740   3.1559  3599.26  179.901  3707.59  345.274  3558.89  210.773  111.246   5.3739  110.234   3.3107 1.012390 6.311860 
1 1 1   12   39  -12 o   35.645   7.6141  475.725  187.239  184.678  325.538  619.607  228.888   28.521   11.892   42.770   9.5121 -14.24847 15.22828 
1 1 1   12   40  -12 o  ?   ?  -1031.2300  226.917   0.0000   0.0000 -1031.2300  226.917  ?   ?   ?   ?       ?      ? 
1 1 1   12   41  -12 o   53.471   5.6842  946.495  164.897  899.509  264.400  976.404  210.948   51.132   9.2957   55.810   6.5446 -4.677658 11.36845 
1 1 1   12   42  -12 o   50.357   5.9448  848.123  164.665  866.779  261.970  835.937  211.718   49.704   9.4718   51.010   7.1865 -1.306347 11.88952 
1 1 1   12   43  -12 o   31.566   7.6290  382.460  170.925  297.518  256.468  450.337  229.262   28.791   11.027   34.341   10.545 -5.549814 15.25791 
1 1 1   12   44  -12 o   23.908   9.5291  174.961  197.866   0.0000   0.0000  174.961  197.866  ?   ?    23.908   9.5291      ?      ? 
1 1 1   12    0  -13 o  329.801   2.1411 31333.06  383.700 31150.89  468.414 31704.61  668.952  328.379   2.4702  331.223   3.4978 -0.000000 0.000000 
1 1 1   12    1  -13 o  149.149   1.8651  6431.01  160.170  6480.17  218.566  6373.98  235.399  149.768   2.5268  148.530   2.7441 1.238129 3.730298 
1 1 1   12    2  -13 o  302.203   1.9069 26484.71  281.379 26571.53  321.554 26200.93  581.349  303.305   1.8356  301.101   3.3430 2.204254 3.813843 
1 1 1   12    3  -13 o  144.499   2.4726  5950.73  184.807  6223.58  354.573  5848.96  216.547  146.715   4.1845  142.284   2.6352 4.431076 4.945152 
1 1 1   12    4  -13 o  292.260   1.4588 24704.69  242.680 24861.27  317.882 24485.95  375.729  293.379   1.8761  291.140   2.2345 2.238403 2.917673 
1 1 1   12    5  -13 o  139.830   2.2311  5645.15  175.183  5672.58  283.365  5628.18  222.878  140.092   3.5022  139.567   2.7650 0.5253448 4.462185 
1 1 1   12    6  -13 o   42.072   5.7124  526.010  134.684  503.280  203.689  543.668  179.533   40.841   8.8880   43.304   7.1785 -2.463104 11.42482 
1 1 1   12    7  -13 o  225.275   1.8257 14615.66  228.327 14832.47  380.757 14493.92  285.319  226.559   2.9099  223.991   2.2055 2.568085 3.651309 
1 1 1   12    8  -13 o  270.206   1.5974 21089.72  249.142 21004.42  346.379 21181.16  358.621  269.642   2.2242  270.770   2.2932 -1.128540 3.194704 
1 1 1   12    9  -13 o   76.164   3.8095  1696.63  159.055  1623.99  268.559  1735.87  197.400   74.863   6.2113   77.465   4.4122 -2.601479 7.618944 
1 1 1   12   10  -13 o  224.896   1.9666 14658.18  242.788 14480.57  412.293 14752.47  300.397  223.824   3.1894  225.968   2.3018 -2.143570 3.933280 
1 1 1   12   11  -13 o  162.116   2.1048  7426.71  141.461  7354.67  153.252  7841.60  367.768  159.567   1.6629  164.664   3.8671 -5.096786 4.209530 
1 1 1   12   12  -13 o  109.580   3.4485  3477.57  218.133  3434.76  312.478  3518.26  304.645  108.917   4.9675  110.244   4.7847 -1.326492 6.897058 
1 1 1   12   13  -13 o  118.339   3.2751  4061.03  223.429  3826.91  318.617  4287.54  313.401  114.966   4.7986  121.711   4.4585 -6.744522 6.550129 
1 1 1   12   14  -13 o   43.298   6.8916  631.459  172.740  829.394  215.522  275.897  288.860   53.431   6.9841   33.166   11.883 20.26518 13.78311 
1 1 1   12   15  -13 o   44.010   8.1565  596.614  211.751  480.379  314.482  693.021  286.405   40.309   12.346   47.712   10.662 -7.402470 16.31293 
1 1 1   12   16  -13 o   17.875   6.0657 -337.7856  175.119 -223.3938  211.725 -585.5163  311.576   17.490   8.2180   18.259   8.9239 -0.7690697 12.13147 
1 1 1   12   17  -13 o  216.501   1.8976 13433.17  219.695 13860.86  396.822 13244.13  263.817  218.920   3.1385  214.082   2.1337 4.837769 3.795133 
1 1 1   12   18  -13 o   90.862   2.8283  2427.30  143.898  2228.54  228.578  2557.78  185.203   87.700   4.5128   94.023   3.4106 -6.323257 5.656655 
1 1 1   12   19  -13 o  157.626   2.0934  7204.86  181.357  7248.26  224.686  7123.73  307.207  158.347   2.4569  156.905   3.3901 1.441376 4.186737 
1 1 1   12   20  -13 o   87.776   2.8521  2223.41  129.599  2250.02  246.274  2213.22  152.409   88.080   4.8412   87.472   3.0169 0.6080551 5.704268 
1 1 1   12   21  -13 o   12.501   4.3834 -412.5602  120.611 -326.8431  166.225 -507.8647  175.274   13.175   6.4557   11.826   5.9313 1.348291 8.766750 
1 1 1   12   22  -13 o  310.812   2.3217 27960.45  416.637 28192.86  583.523 27718.75  595.075  312.139   3.2369  309.485   3.3293 2.654022 4.643408 
1 1 1   12   23  -13 o   37.210   5.3480  435.032  108.886  502.478  138.655  326.520  175.872   41.577   5.7743   32.844   9.0033 8.732853 10.69590 
1 1 1   12   24  -13 o   65.929   3.3665  1211.76  118.895  1136.35  141.563  1392.31  219.051   62.633   3.9135   69.225   5.4789 -6.592583 6.733056 
1 1 1   12   25  -13 o   47.783   4.8542  662.637  133.959  662.637  133.959   0.0000   0.0000   47.783   4.8542  ?   ?       ?      ? 
1 1 1   12   26  -13 o  103.034   2.5939  3085.87  149.957  3121.99  191.284  3028.27  241.544  103.857   3.1890  102.211   4.0918 1.646690 5.187730 
1 1 1   12   27  -13 o   16.141   5.7023 -392.1953  149.449 -326.8871  164.315 -704.9240  359.564   13.036   6.3940   19.246   9.4436 -6.210067 11.40461 
1 1 1   12   28  -13 o  174.180   2.6834  8777.94  269.943   0.0000   0.0000  8777.94  269.943  ?   ?   174.180   2.6834      ?      ? 
1 1 1   12   29  -13 o   45.220   4.6906  597.226  120.812  592.039  157.990  604.529  187.480   45.032   6.0747   45.409   7.1487 -0.3773766 9.381161 
1 1 1   12   30  -13 o   74.813   4.4683  1589.08  148.277  1562.27  163.178  1716.09  355.164   73.369   3.8509   76.256   8.0643 -2.886703 8.936593 
1 1 1   12   31  -13 o  112.742   3.8700  3717.41  251.671  3592.93  360.913  3835.22  351.122  110.863   5.6368  114.620   5.3041 -3.757004 7.739945 
1 1 1   12   32  -13 o   53.883   6.7817  883.778  192.333  898.130  338.759  876.951  233.642   53.338   11.346   54.429   7.4325 -1.091465 13.56348 
1 1 1   12   33  -13 o   62.837   5.8535  1161.38  212.432   0.0000   0.0000  1161.38  212.432  ?   ?    62.837   5.8535      ?      ? 
1 1 1   12   34  -13 o   75.159   5.4344  1695.68  235.319  1720.66  323.326  1667.55  343.138   75.856   7.3801   74.461   7.9791 1.395233 10.86889 
1 1 1   12   35  -13 o  112.258   3.0831  3690.02  188.763  3704.97  325.682  3682.46  231.638  112.156   5.0279  112.361   3.5695 -0.2055740 6.166130 
1 1 1   12   36  -13 f   56.448   4.9596  941.961  161.688   0.0000   0.0000  941.961  161.688  ?   ?    56.448   4.9596      ?      ? 
1 1 1   12   37  -13 o   91.318   4.1167  2456.50  217.116   0.0000   0.0000  2456.50  217.116  ?   ?    91.318   4.1167      ?      ? 
1 1 1   12   38  -13 o   80.142   5.0754  1987.61  234.628  2087.23  342.326  1899.35  322.214   81.992   7.2291   78.292   7.1259 3.699539 10.15077 
1 1 1   12   39  -13 o   37.395   6.9408  551.798  158.674  217.473  333.298  649.778  180.433   29.123   12.079   45.667   6.8412 -16.54313 13.88155 
1 1 1   12   40  -13 o   22.815   7.2301  -9.6078  178.865  105.320  330.946 -57.0312  212.589   26.332   11.502   19.298   8.7644 7.033895 14.46030 
1 1 1   12   41  -13 o   52.658   5.6646  886.407  169.084  1023.41  272.205  800.333  215.757   55.509   8.4908   49.807   7.5005 5.701542 11.32923 
1 1 1   12   42  -13 o   48.098   7.3136  810.888  189.327  718.500  232.662  991.983  325.739   45.178   9.2287   51.017   11.348 -5.838406 14.62718 
1 1 1   12   43  -13 o   57.356   6.4062  1129.19  208.602  1032.95  267.705  1277.94  332.834   54.978   8.4311   59.735   9.6474 -4.757576 12.81235 
1 1 1   12   44  -13 o   23.251   6.5616  150.092  148.582 -111.2558  264.385  270.739  179.633   19.470   9.1597   27.031   9.3976 -7.561035 13.12311 
1 1 1   12    0  -14 o  209.857   2.3924 12709.44  289.423 13186.24  422.552 12288.06  397.232  213.557   3.4279  206.157   3.3382 -0.000000 0.000000 
1 1 1   12    1  -14 o   22.359   6.4152   50.816  131.073  107.179  184.915  -6.1001  185.820   24.094   9.3276   20.625   8.8099 3.468983 12.83038 
1 1 1   12    2  -14 o  233.204   1.7227 15914.77  187.999 15367.05  409.552 16060.99  211.610  230.596   3.0752  235.812   1.5538 -5.216019 3.445429 
1 1 1   12    3  -14 o   52.667   5.4236  821.201  158.783  983.542  226.195  663.492  222.945   58.253   6.7233   47.082   8.5123 11.17104 10.84724 
1 1 1   12    4  -14 o   31.457   5.9675  311.197  107.955  351.272  129.457  219.708  195.603   34.216   6.7907   28.698   9.8148 5.518232 11.93501 
1 1 1   12    5  -14 f  126.498   2.0263  4624.36  147.758  4620.33  215.685  4627.93  202.830  126.443   2.9535  126.553   2.7751 -0.1095657 4.052688 
1 1 1   12    6  -14 o  318.234   1.3690 29252.74  251.584 29143.93  352.764 29365.38  358.903  317.632   1.9230  318.835   1.9491 -1.203003 2.738008 
1 1 1   12    7  -14 o  141.802   1.9704  5817.34  160.517  5877.06  216.778  5744.85  238.830  142.614   2.6319  140.990   2.9330 1.624298 3.940743 
1 1 1   12    8  -14 o  187.581   2.0688 10361.97  186.175 10520.82  211.870  9823.65  390.035  190.840   1.9223  184.321   3.6639 6.518478 4.137541 
1 1 1   12    9  -14 o   26.425   6.8455  165.214  142.099 -179.3934  305.900  260.036  160.462   23.179   10.522   29.671   8.7600 -6.492266 13.69106 
1 1 1   12   10  -14 o   79.526   3.4641  1828.68  159.108  1828.68  159.108   0.0000   0.0000   79.526   3.4641  ?   ?       ?      ? 
1 1 1   12   11  -14 o  311.813   2.0515 28149.79  352.652 27948.29  594.151 28259.38  438.183  310.905   3.3089  312.721   2.4261 -1.816162 4.103037 
1 1 1   12   12  -14 o  155.995   2.3482  7031.83  211.555   0.0000   0.0000  7031.83  211.555  ?   ?   155.995   2.3482      ?      ? 
1 1 1   12   13  -14 o   68.474   3.5654  1462.72  126.621  1642.24  154.900  1101.17  219.822   75.350   3.5594   61.599   6.1789 13.75117 7.130852 
1 1 1   12   14  -14 o  215.748   2.2310 13450.83  277.996   0.0000   0.0000 13450.83  277.996  ?   ?   215.748   2.2310      ?      ? 
1 1 1   12   15  -14 o   94.133   3.5096  2557.16  181.836  2532.06  224.781  2604.69  309.305   93.519   4.1618   94.747   5.6524 -1.228455 7.019279 
1 1 1   12   16  -14 o   37.008   8.6559  388.175  215.279  359.515  318.104  412.394  292.417   36.372   12.514   37.643   11.963 -1.271317 17.31176 
1 1 1   12   17  -14 o   21.512   8.1451   96.919  138.919   0.0000   0.0000   96.919  138.919  ?   ?    21.512   8.1451      ?      ? 
1 1 1   12   18  -14 o   45.556   6.7243  590.207  144.719  675.985  321.329  568.381  162.089   46.905   11.856   44.207   6.3486 2.698360 13.44856 
1 1 1   12   19  -14 o   56.477   3.3827  940.703  108.033  1022.63  143.111  832.165  164.722   59.413   4.1707   53.541   5.3270 5.872013 6.765432 
1 1 1   12   20  -14 o  209.090   2.2444 12648.52  269.438 12643.90  361.938 12654.25  403.531  209.069   2.9975  209.111   3.3413 -0.4202271E-01 4.488796 
1 1 1   12   21  -14 f  112.941   2.8373  3827.13  154.251  3942.10  176.510  3455.58  317.310  116.760   2.6175  109.121   5.0349 7.639107 5.674618 
1 1 1   12   22  -14 o  110.247   2.9801  3688.92  151.509  3808.86  170.803  3246.21  328.155  114.771   2.5768  105.723   5.3743 9.048363 5.960133 
1 1 1   12   23  -14 o  151.335   2.5658  6621.88  206.033  6655.25  374.889  6607.44  246.617  151.528   4.2838  151.142   2.8252 0.3858948 5.131508 
1 1 1   12   24  -14 o   79.408   3.9188  1771.56  155.880  1713.00  178.811  1956.95  318.165   76.887   4.0268   81.928   6.7241 -5.041252 7.837614 
1 1 1   12   25  -14 o   86.540   3.6906  2089.45  163.704  1995.18  189.653  2365.01  324.233   82.975   3.9576   90.105   6.2305 -7.129585 7.381176 
1 1 1   12   26  -14 o   46.382   5.7307  730.649  111.539  782.262  124.034  512.488  255.005   51.940   4.1348   40.823   10.690 11.11670 11.46137 
1 1 1   12   27  -14 o  145.786   2.1199  6132.97  178.021  6403.94  263.396  5905.09  241.542  148.733   3.0663  142.838   2.9279 5.894730 4.239706 
1 1 1   12   28  -14 o   56.895   4.1960  945.374  137.727  912.602  197.000  976.707  192.625   55.913   6.1005   57.877   5.7626 -1.964008 8.391919 
1 1 1   12   29  -14 o  104.684   2.7611  3180.73  164.208  3182.08  213.834  3178.79  256.356  104.758   3.5343  104.610   4.2431 0.1484222 5.522248 
1 1 1   12   30  -14 o   37.270   8.6519  376.485  183.591  474.166  411.005  352.137  205.200   40.610   14.210   33.929   9.8748 6.681442 17.30387 
1 1 1   12   31  -14 o   80.743   3.0892  1890.46  144.060  1890.46  144.060   0.0000   0.0000   80.743   3.0892  ?   ?       ?      ? 
1 1 1   12   32  -14 o   66.487   4.5160  1289.92  173.411   0.0000   0.0000  1289.92  173.411  ?   ?    66.487   4.5160      ?      ? 
1 1 1   12   33  -14 o   95.444   3.6486  2660.44  193.269  2626.28  241.321  2721.53  322.745   94.802   4.4075   96.087   5.8158 -1.284775 7.297257 
1 1 1   12   34  -14 o   48.777   5.8121  704.216  163.731   0.0000   0.0000  704.216  163.731  ?   ?    48.777   5.8121      ?      ? 
1 1 1   12   35  -14 o   27.614   8.0317  108.302  215.276  249.079  282.885 -85.4075  331.832   30.557   11.610   24.671   11.101 5.885853 16.06350 
1 1 1   12   36  -14 f   18.498   6.3153 -424.3588  204.003 -610.2115  280.901 -216.9257  296.761   16.006   7.9440   20.990   9.8198 -4.983946 12.63069 
1 1 1   12   37  -14 o   41.951   8.4981  594.600  209.853  781.141  353.618  493.191  260.727   46.250   12.803   37.652   11.179 8.598133 16.99630 
1 1 1   12   38  -14 o   51.891   7.2379  1045.48  187.796  641.433  350.972  1207.56  222.295   40.963   13.115   62.819   6.1270 -21.85597 14.47579 
1 1 1   12   39  -14 o   66.974   4.6490  1346.28  179.824   0.0000   0.0000  1346.28  179.824  ?   ?    66.974   4.6490      ?      ? 
1 1 1   12   40  -14 o   56.994   5.9209  1060.16  193.423  1156.51  296.121  988.451  255.446   58.953   8.6972   55.036   8.0366 3.917206 11.84177 
1 1 1   12   41  -14 o   56.145   5.1366  986.847  153.357  1092.82  281.050  941.914  183.001   57.140   8.5165   55.150   5.7454 1.989494 10.27324 
1 1 1   12   42  -14 o   46.075   6.7707  797.062  171.533  612.848  277.735  910.662  218.101   39.179   11.513   52.971   7.1291 -13.79228 13.54134 
1 1 1   12   43  -14 o   25.224   7.1963  196.209  169.958   38.599  277.357  290.975  215.067   22.502   10.135   27.947   10.219 -5.445110 14.39257 
1 1 1   12    0  -15 f  243.293   2.1239 17107.28  298.327 16993.35  420.614 17222.61  423.193  242.477   3.0045  244.108   3.0027 -0.000000 0.000000 
1 1 1   12    1  -15 o   18.335   5.9442 -132.6189  136.948 -124.6557  171.334 -146.7078  227.895   16.874   7.7408   19.796   9.0229 -2.922035 11.88840 
1 1 1   12    2  -15 o  134.196   2.1141  5195.52  163.349  5318.04  241.850  5092.73  221.508  135.645   3.0871  132.748   2.8892 2.897156 4.228229 
1 1 1   12    3  -15 o  184.132   1.7373  9731.58  160.918  9665.37  186.049  9928.22  320.620  182.923   1.7611  185.341   2.9952 -2.418640 3.474599 
1 1 1   12    4  -15 o   44.165   6.2040  545.750  140.012  689.939  268.614  491.961  164.062   47.765   10.055   40.565   7.2699 7.200020 12.40800 
1 1 1   12    5  -15 o   91.500   2.5598  2423.48  131.066  2410.07  213.346  2431.60  166.108   91.281   4.0469   91.718   3.1358 -0.4367981 5.119610 
1 1 1   12    6  -15 f   82.515   2.4940  2010.33  114.067  1810.26  184.667  2133.76  145.046   79.109   4.0418   85.922   2.9229 -6.812881 4.987962 
1 1 1   12    7  -15 o  170.909   1.3831  8433.82  136.391  8337.12  188.373  8540.38  197.738  169.881   1.9199  171.937   1.9913 -2.055740 2.766129 
1 1 1   12    8  -15 o  182.281   1.7890  9560.01  167.629  9693.18  322.428  9510.69  196.234  183.117   3.0487  181.444   1.8726 1.673065 3.577907 
1 1 1   12    9  -15 o  121.668   2.1109  4293.17  146.270  4366.88  192.444  4192.34  225.083  122.919   2.7108  120.416   3.2365 2.503571 4.221772 
1 1 1   12   10  -15 o  146.274   1.6368  6182.81  136.910  6181.93  208.811  6183.47  181.326  146.258   2.4720  146.290   2.1462 -0.3186035E-01 3.273640 
1 1 1   12   11  -15 o   64.720   4.6036  1186.01  137.228  1267.06  312.769  1166.69  152.712   65.950   8.2115   63.490   4.1647 2.459465 9.207260 
1 1 1   12   12  -15 o  218.553   1.8642 14026.48  182.438 14157.94  202.486 13459.47  420.522  221.384   1.5837  215.722   3.3753 5.662552 3.728337 
1 1 1   12   13  -15 o  134.319   2.2490  5213.81  174.464  5213.81  174.464   0.0000   0.0000  134.319   2.2490  ?   ?       ?      ? 
1 1 1   12   14  -15 o   76.804   3.3791  1704.53  149.662  1831.13  218.203  1592.06  205.662   79.491   4.7529   74.118   4.8045 5.373512 6.758199 
1 1 1   12   15  -15 o   71.885   4.2987  1626.14  139.549  1301.96  302.315  1713.92  157.312   66.809   7.8350   76.961   3.5392 -10.15195 8.597312 
1 1 1   12   16  -15 o   92.540   3.5162  2422.73  179.317  2291.14  219.896  2683.92  309.802   88.932   4.2813   96.148   5.5790 -7.215401 7.032436 
1 1 1   12   17  -15 o  138.691   2.3764  5485.74  156.569  5707.62  340.313  5426.17  176.340  140.365   4.1979  137.017   2.2284 3.347961 4.752716 
1 1 1   12   18  -15 o  190.850   1.8858 10525.18  207.866   0.0000   0.0000 10525.18  207.866  ?   ?   190.850   1.8858      ?      ? 
1 1 1   12   19  -15 o   95.780   3.2733  2572.95  147.440  2811.88  328.624  2512.74  164.976   98.362   5.7848   93.197   3.0650 5.164413 6.546610 
1 1 1   12   20  -15 o   23.837   6.7491   31.890  157.395 -217.8585  246.403  204.035  204.570   19.469   9.0546   28.205   10.011 -8.736763 13.49830 
1 1 1   12   21  -15 o  130.316   1.9815  4863.23  133.100  5019.10  255.964  4805.46  155.824  131.688   3.3655  128.944   2.0924 2.744263 3.962906 
1 1 1   12   22  -15 o   85.478   3.5825  2147.02  173.740  1960.97  265.102  2287.09  230.026   82.144   5.5880   88.812   4.4846 -6.668411 7.164953 
1 1 1   12   23  -15 o  227.570   2.0720 14872.23  257.289 14651.87  314.677 15316.66  446.880  225.111   2.4204  230.028   3.3638 -4.916718 4.144038 
1 1 1   12   24  -15 o  102.710   2.6160  3051.06  155.178  3051.06  155.178   0.0000   0.0000  102.710   2.6160  ?   ?       ?      ? 
1 1 1   12   25  -15 o   16.264   5.4965 -268.4331  143.924 -128.5053  168.859 -640.0616  275.186   16.556   7.6280   15.971   7.9159 0.5842524 10.99306 
1 1 1   12   26  -15 o  150.167   2.6776  6459.80  220.714  6296.77  271.051  6780.66  380.239  147.470   3.1824  152.863   4.3069 -5.393143 5.355145 
1 1 1   12   27  -15 o  105.343   2.6215  3227.43  156.445  3271.09  203.179  3163.85  245.189  106.263   3.3106  104.423   4.0656 1.840134 5.243012 
1 1 1   12   28  -15 o  115.294   1.9016  3854.78  124.458  3887.73  162.118  3807.49  194.222  115.920   2.4215  114.667   2.9327 1.253113 3.803244 
1 1 1   12   29  -15 o   48.302   3.7793  687.024  100.666  702.697  125.826  659.152  167.794   49.153   4.4324   47.452   6.1226 1.700966 7.558572 
1 1 1   12   30  -15 o   51.746   4.1494  773.034  122.910  702.077  161.242  871.447  189.892   48.973   5.7008   54.518   6.0309 -5.544468 8.298824 
1 1 1   12   31  -15 o   38.883   8.4016  449.520  214.888  670.492  317.028  261.708  292.275   45.769   11.887   31.997   11.876 13.77227 16.80312 
1 1 1   12   32  -15 o  159.536   2.7389  7382.18  252.356   0.0000   0.0000  7382.18  252.356  ?   ?   159.536   2.7389      ?      ? 
1 1 1   12   33  -15 o  158.452   2.6355  7319.84  241.153  7492.00  343.441  7152.41  338.694  160.297   3.7097  156.608   3.7446 3.689301 5.271071 
1 1 1   12   34  -15 f   89.687   3.5821  2442.04  151.665  2250.85  320.827  2497.06  172.110   86.791   6.4005   92.584   3.2187 -5.793289 7.164233 
1 1 1   12   35  -15 o   60.591   4.4750  1107.58  155.972  1049.02  226.729  1160.19  214.902   58.936   6.6610   62.246   5.9778 -3.310261 8.950063 
1 1 1   12   36  -15 f   62.509   4.2224  1188.33  150.930  1087.50  223.030  1273.52  205.002   59.816   6.4560   65.202   5.4439 -5.386021 8.444893 
1 1 1   12   37  -15 o   91.411   3.6049  2460.18  190.315   0.0000   0.0000  2460.18  190.315  ?   ?    91.411   3.6049      ?      ? 
1 1 1   12   38  -15 o   19.915   8.8759 -21.7167  206.723   0.0000   0.0000 -21.7167  206.723  ?   ?    19.915   8.8759      ?      ? 
1 1 1   12   39  -15 o   63.409   5.9768  1397.56  177.839  1162.01  341.312  1485.34  208.357   56.888   10.783   69.930   5.1589 -13.04249 11.95358 
1 1 1   12   40  -15 o   72.438   4.8394  1665.18  179.017  1657.58  340.681  1668.07  210.407   70.743   8.3384   74.134   4.9142 -3.391212 9.678735 
1 1 1   12   41  -15 o   26.656   7.3752  176.968  141.454  393.920  301.010  115.479  160.250   31.871   12.008   21.442   8.5662 10.42891 14.75040 
1 1 1   12   42  -15 o   52.098   5.6203  866.635  158.663  1059.93  286.558  781.176  190.535   55.003   9.0208   49.193   6.7064 5.809963 11.24053 
1 1 1   12   43  -15 o   18.000   5.5976   16.753  114.165 -126.5916  206.311   80.019  137.063   17.031   8.0361   18.969   7.7945 -1.938581 11.19527 
1 1 1   12    0  -16 o  199.684   2.3603 11522.70  272.121 11522.70  272.121   0.0000   0.0000  199.684   2.3603  199.684   2.3603 -0.000000 0.000000 
1 1 1   12    1  -16 o   20.520   6.0565 -58.7829  121.126 -165.2097  148.868  149.682  208.349   14.545   6.8518   26.496   9.9888 -11.95096 12.11290 
1 1 1   12    2  -16 o  142.906   2.1440  5888.43  165.043  5862.27  199.889  5944.48  292.555  142.434   2.4299  143.378   3.5330 -0.9435730 4.287928 
1 1 1   12    3  -16 o  189.542   2.1205 10291.25  192.256 10218.78  217.293 10552.49  412.551  188.072   2.0005  191.012   3.7396 -2.940170 4.241099 
1 1 1   12    4  -16 o  202.860   1.6296 11891.18  190.891 11914.98  267.712 11866.56  272.268  203.068   2.2827  202.652   2.3263 0.4152985 3.259156 
1 1 1   12    5  -16 o  151.212   2.2688  6606.74  198.142  6606.74  198.142   0.0000   0.0000  151.212   2.2688  ?   ?       ?      ? 
1 1 1   12    6  -16 o  167.368   2.1766  8084.35  195.671  8060.43  236.470  8136.30  348.472  167.011   2.4516  167.725   3.5974 -0.7144165 4.353298 
1 1 1   12    7  -16 o  235.830   1.8999 16068.38  253.267 16105.81  401.978 16043.73  326.144  236.036   2.9487  235.624   2.3966 0.4121552 3.799870 
1 1 1   12    8  -16 o  118.488   2.6854  4026.77  161.868  3988.50  188.168  4135.66  317.446  117.466   2.7736  119.509   4.5992 -2.043503 5.370821 
1 1 1   12    9  -16 o   28.278   6.5211  224.139  122.085  209.429  166.089  241.430  180.063   27.410   9.0403   29.146   9.4006 -1.735136 13.04218 
1 1 1   12   10  -16 o  245.491   1.9999 17580.72  263.493 17859.28  319.762 16991.43  465.084  248.600   2.2271  242.381   3.3224 6.219559 3.999762 
1 1 1   12   11  -16 o  104.922   2.0982  3176.66  123.647  3210.71  200.159  3155.65  157.237  105.359   3.2894  104.483   2.6057 0.8759613 4.196393 
1 1 1   12   12  -16 o   26.442   5.7030  202.051  101.779   85.691  153.745  292.824  135.794   21.793   8.4861   31.091   7.6213 -9.298624 11.40607 
1 1 1   12   13  -16 o  147.962   2.5885  6328.94  221.196   0.0000   0.0000  6328.94  221.196  ?   ?   147.962   2.5885      ?      ? 
1 1 1   12   14  -16 o   86.641   3.9035  2255.99  179.170  1978.17  314.787  2389.13  217.912   82.458   6.6099   90.824   4.1543 -8.365891 7.807010 
1 1 1   12   15  -16 o  136.508   2.1526  5391.35  153.265  5393.08  181.325  5387.03  286.811  136.595   2.2985  136.422   3.6402 0.1736145 4.305125 
1 1 1   12   16  -16 o   26.732   6.4437  145.927  119.671   54.241  146.751  327.919  206.755   20.247   8.1589   33.217   9.9759 -12.97029 12.88742 
1 1 1   12   17  -16 o  181.147   1.5764  9559.03  160.073  9807.37  204.646  9167.63  256.923  184.224   1.9234  178.071   2.4982 6.152847 3.152850 
1 1 1   12   18  -16 o   49.352   5.3752  711.586  152.890  705.290  222.980  717.173  210.037   49.127   7.8589   49.577   7.3355 -0.4499207 10.75047 
1 1 1   12   19  -16 o   98.925   3.5579  2785.13  198.194  2609.04  250.309  3081.07  324.489   94.858   4.5690  102.993   5.4552 -8.134766 7.115792 
1 1 1   12   20  -16 o  230.150   2.4858 15314.88  330.411   0.0000   0.0000 15314.88  330.411  ?   ?   230.150   2.4858      ?      ? 
1 1 1   12   21  -16 o   94.387   4.1289  2581.70  225.077   0.0000   0.0000  2581.70  225.077  ?   ?    94.387   4.1289      ?      ? 
1 1 1   12   22  -16 o  168.161   2.2214  8231.56  181.131  8093.99  377.249  8272.78  206.489  167.145   3.9080  169.176   2.1134 -2.031830 4.442798 
1 1 1   12   23  -16 o  209.632   2.0483 12723.41  201.990 12729.89  227.300 12699.07  440.467  209.875   1.8752  209.390   3.6423 0.4856873 4.096665 
1 1 1   12   24  -16 o  108.598   3.2786  3391.89  184.120  3353.22  216.054  3494.48  351.898  107.601   3.4766  109.595   5.5596 -1.993668 6.557125 
1 1 1   12   25  -16 o  173.402   2.4339  8710.32  242.690  8714.17  328.354  8705.69  360.295  173.469   3.2774  173.335   3.5991 0.1347656 4.867730 
1 1 1   12   26  -16 o   64.882   3.6291  1244.95  133.727  1041.59  195.828  1422.65  183.055   59.781   5.6719   69.982   4.5291 -10.20155 7.258269 
1 1 1   12   27  -16 o   79.862   3.2752  1865.46  141.898  1887.20  173.751  1821.93  245.882   80.661   3.7298   79.063   5.3848 1.597679 6.550332 
1 1 1   12   28  -16 o  105.018   2.6016  3209.84  154.223  3155.00  244.463  3246.10  198.767  104.214   4.0616  105.821   3.2523 -1.606819 5.203287 
1 1 1   12   29  -16 f   12.011   4.3065 -584.7304  130.131 -594.5611  161.535 -566.5559  219.638   10.299   5.2270   13.723   6.8456 -3.423999 8.612979 
1 1 1   12   30  -16 o  165.519   1.8842  7941.06  179.850  7890.05  261.191  7987.05  248.013  164.997   2.7409  166.041   2.5863 -1.044052 3.768493 
1 1 1   12   31  -16 o   65.221   4.3701  1241.78  164.612  1241.78  164.612   0.0000   0.0000   65.221   4.3701  ?   ?       ?      ? 
1 1 1   12   32  -16 o  127.369   3.2971  4725.57  241.757  4397.06  326.353  5125.06  359.895  122.513   4.6123  132.225   4.7128 -9.712128 6.594221 
1 1 1   12   33  -16 o  107.980   2.9175  3410.16  174.868  3400.80  218.913  3426.65  290.675  107.980   3.5103  107.980   4.6610 -0.5111694E-03 5.834991 
1 1 1   12   34  -16 o   19.472   6.1776 -77.3409  145.932 -152.6369  203.771   1.9363  209.089   17.715   8.2373   21.229   9.2087 -3.514019 12.35530 
1 1 1   12   35  -16 o   80.294   3.7423  1926.84  161.738  1916.11  284.886  1931.94  196.472   79.647   6.1932   80.941   4.2029 -1.293900 7.484658 
1 1 1   12   36  -16 o   22.222   6.9637   1.1060  170.926   77.836  198.738 -216.9334  335.016   22.368   9.3062   22.077   10.362 0.2916050 13.92731 
1 1 1   12   37  -16 o   36.663   7.4401  500.166  156.618  362.586  341.039  536.937  176.309   32.738   12.669   40.588   7.8048 -7.849979 14.88029 
1 1 1   12   38  -16 o   55.659   4.8978  969.782  156.857  1091.41  231.079  865.852  213.608   58.970   6.7850   52.348   7.0654 6.621948 9.795651 
1 1 1   12   39  -16 o   15.885   7.4249 -117.9550  169.011   0.0000   0.0000 -117.9550  169.011  ?   ?    15.885   7.4249      ?      ? 
1 1 1   12   40  -16 o   97.851   3.2964  2884.78  182.027  2828.93  233.094  2972.09  291.412   97.111   4.1560   98.591   5.1178 -1.480629 6.592759 
1 1 1   12   41  -16 o   28.809   6.5704  288.664  124.872  383.256  191.867  219.154  164.473   32.238   9.5938   25.381   8.9798 6.856659 13.14070 
1 1 1   12   42  -16 o   29.266   8.4859  308.962  151.792   0.0000   0.0000  308.962  151.792  ?   ?    29.266   8.4859      ?      ? 
1 1 1   12    0  -17 o   16.178   7.5049 -55.6632  181.419   56.561  222.745 -276.8053  312.680   17.496   10.893   14.859   10.327 -0.000000 0.000000 
1 1 1   12    1  -17 f  146.420   2.2929  6205.19  176.019  6184.84  326.356  6213.54  209.028  146.209   3.8648  146.630   2.4683 -0.4210205 4.585778 
1 1 1   12    2  -17 o  118.695   2.3109  4085.08  157.928  3753.89  224.951  4406.98  221.770  113.930   3.4187  123.459   3.1102 -9.529282 4.621815 
1 1 1   12    3  -17 f  101.745   2.2805  2988.70  132.410  3023.77  204.137  2963.23  173.972  102.249   3.4568  101.241   2.9753 1.008484 4.560948 
1 1 1   12    4  -17 o   67.972   2.9443  1322.93  114.776  1222.58  151.758  1457.04  175.440   64.997   4.0427   70.947   4.2816 -5.949898 5.888620 
1 1 1   12    5  -17 o   68.808   4.0410  1430.78  134.075  1268.21  273.656  1482.13  153.799   66.041   7.1747   71.575   3.7206 -5.533813 8.082039 
1 1 1   12    6  -17 o  210.024   1.5998 12747.00  194.052 12798.51  273.916 12695.11  274.948  210.450   2.2536  209.597   2.2713 0.8530121 3.199656 
1 1 1   12    7  -17 o  100.660   2.1777  2899.30  122.429  3048.37  202.879  2813.93  153.537  102.658   3.4218   98.663   2.6945 3.995155 4.355356 
1 1 1   12    8  -17 o  161.607   2.1894  7396.22  165.424  7289.46  185.068  7820.52  368.955  158.832   2.0175  164.382   3.8863 -5.549606 4.378741 
1 1 1   12    9  -17 o  132.054   1.7419  5053.05  131.696  4940.23  198.630  5141.55  175.922  130.727   2.6309  133.381   2.2837 -2.654541 3.483772 
1 1 1   12   10  -17 o  144.107   2.2493  6023.95  175.270  6056.40  213.538  5956.96  306.828  144.745   2.5544  143.469   3.7030 1.275497 4.498548 
1 1 1   12   11  -17 o  143.979   1.7430  6026.20  138.782  5873.38  231.097  6112.41  173.565  142.522   2.8075  145.437   2.0663 -2.914734 3.485983 
1 1 1   12   12  -17 o   49.042   5.1461  690.503  143.184  648.980  183.655  754.862  228.643   47.222   6.7340   50.862   7.7835 -3.640377 10.29222 
1 1 1   12   13  -17 o  139.952   2.4964  5686.23  180.969  5628.69  341.712  5708.65  213.344  139.389   4.2447  140.515   2.6289 -1.125626 4.992854 
1 1 1   12   14  -17 o   26.686   7.5401   67.703  159.096  237.424  310.683   7.3785  185.224   32.495   12.208   20.877   8.8529 11.61787 15.08013 
1 1 1   12   15  -17 o   85.505   3.8521  2219.93  158.956  2307.60  182.608  1945.73  322.944   89.287   3.5412   81.724   6.8422 7.563354 7.704235 
1 1 1   12   16  -17 o   28.309   5.9814  236.676  104.425  235.325  137.069  238.545  161.207   28.046   8.0442   28.571   8.8543 -0.5251961 11.96280 
1 1 1   12   17  -17 o   95.832   2.8199  2719.87  140.812  2520.11  258.682  2803.99  167.861   93.208   4.8054   98.456   2.9520 -5.247826 5.639721 
1 1 1   12   18  -17 o  190.562   1.8006 10493.15  198.169   0.0000   0.0000 10493.15  198.169  ?   ?   190.562   1.8006      ?      ? 
1 1 1   12   19  -17 o  165.520   2.0381  7934.43  191.636  7870.91  298.698  7978.86  249.831  164.931   3.1358  166.110   2.6042 -1.178375 4.076105 
1 1 1   12   20  -17 o   78.609   4.7079  1968.12  158.319  1554.75  365.785  2063.41  175.621   72.802   8.6995   84.416   3.6022 -11.61425 9.415818 
1 1 1   12   21  -17 o   87.669   3.5755  2225.63  181.035   0.0000   0.0000  2225.63  181.035  ?   ?    87.669   3.5755      ?      ? 
1 1 1   12   22  -17 o   27.746   7.8024  113.931  194.579 -135.9693  337.799  238.021  238.037   25.152   11.268   30.341   10.796 -5.188848 15.60486 
1 1 1   12   23  -17 o   29.947   9.8881  254.277  198.681   0.0000   0.0000  254.277  198.681  ?   ?    29.947   9.8881      ?      ? 
1 1 1   12   24  -17 o  236.575   2.1578 16160.62  280.815 16066.72  347.246 16338.08  477.387  235.673   2.5512  237.478   3.4807 -1.804916 4.315507 
1 1 1   12   25  -17 o   60.306   4.6920  1060.60  162.912  1026.61  220.463  1101.48  241.798   59.267   6.4408   61.345   6.8247 -2.078159 9.384044 
1 1 1   12   26  -17 o   63.656   4.7136  1156.77  167.850  1306.65  280.650  1073.30  209.435   66.697   7.2858   60.616   5.9825 6.081356 9.427199 
1 1 1   12   27  -17 o  203.676   2.1869 12015.09  247.237 12042.25  411.116 11999.70  309.448  203.758   3.4935  203.593   2.6317 0.1659088 4.373858 
1 1 1   12   28  -17 o   81.493   3.0963  1939.19  137.751  1952.26  169.520  1913.78  236.351   82.005   3.5793   80.981   5.0534 1.024155 6.192601 
1 1 1   12   29  -17 o  171.861   1.8803  8552.57  186.400  8451.31  256.601  8665.71  271.225  170.797   2.6013  172.925   2.7157 -2.127686 3.760583 
1 1 1   12   30  -17 o   14.201   4.8286 -280.5516  109.691 -397.2321  138.888 -87.1159  178.827   10.526   5.2790   17.876   8.0867 -7.350616 9.657237 
1 1 1   12   31  -17 o   54.167   6.2049  944.777  171.599  1019.08  209.248  792.187  299.863   58.663   6.1760   49.671   10.764 8.992741 12.40978 
1 1 1   12   32  -17 o   64.373   4.6895  1215.98  167.945  1157.48  208.896  1322.89  282.412   62.484   5.7887   66.263   7.3795 -3.779694 9.378992 
1 1 1   12   33  -17 o  101.219   3.2066  3031.28  179.132  2965.44  299.340  3068.01  223.585  100.062   5.1798  102.377   3.7814 -2.315445 6.413217 
1 1 1   12   34  -17 o   13.686   6.9377 -1021.0460  165.188 -935.2507  278.710 -1067.5031  205.091   13.686   6.9377  ?   ?       ?      ? 
1 1 1   12   35  -17 o   19.002   6.0745 -100.1492  147.241   31.801  208.818 -230.6261  207.649   21.580   9.2818   16.423   7.8388 5.157497 12.14902 
1 1 1   12   36  -17 o   32.616   7.9813  337.076  168.104  473.483  320.703  285.398  197.394   35.930   12.553   29.301   9.8605 6.629793 15.96270 
1 1 1   12   37  -17 o   86.865   4.3714  2360.84  215.293  2544.04  287.058  2125.31  325.490   91.411   5.4373   82.318   6.8463 9.092934 8.742820 
1 1 1   12   38  -17 o   28.399   6.0845  297.911  113.026  115.312  228.213  357.256  130.102   23.739   9.9325   33.058   7.0305 -9.319475 12.16893 
1 1 1   12   39  -17 o   51.096   6.6976  914.448  176.248  890.044  317.195  925.348  211.984   48.251   11.538   53.941   6.8045 -5.690483 13.39522 
1 1 1   12   40  -17 o   42.273   6.3702  644.655  129.719  585.914  274.265  661.582  147.227   38.352   11.483   46.195   5.5184 -7.842422 12.74045 
1 1 1   12   41  -17 o   15.296   5.2248 -209.5438  135.088 -276.8257  225.491 -171.8781  168.715   15.945   7.7478   14.648   7.0117 1.297314 10.44953 
1 1 1   12   42  -17 o   42.597   5.2036  625.254  122.552  556.838  184.092  679.705  164.233   39.370   8.3549   45.825   6.2055 -6.454666 10.40730 
1 1 1   12    0  -18 o   14.062   6.7427 -106.7726  154.450 -114.2991  192.104 -93.0137  259.735   12.555   8.5616   15.568   10.419 -0.000000 0.000000 
1 1 1   12    1  -18 o  114.869   3.1655  3967.72  161.873  3593.34  370.078  4056.29  180.006  111.279   5.7583  118.458   2.6311 -7.179039 6.330912 
1 1 1   12    2  -18 o   83.639   2.9940  2003.92  138.775  1951.26  172.313  2101.14  234.106   82.121   3.6331   85.157   4.7600 -3.036102 5.988066 
1 1 1   12    3  -18 o  262.507   2.0299 19765.20  290.649 20403.30  505.518 19450.11  355.236  265.595   3.2956  259.418   2.3710 6.176514 4.059859 
1 1 1   12    4  -18 o  156.429   1.8980  7076.33  158.665  7080.15  191.100  7067.86  284.677  156.529   2.1139  156.329   3.1530 0.2009735 3.796064 
1 1 1   12    5  -18 o  111.934   2.0458  3612.03  131.209  3540.29  174.133  3706.28  199.575  110.660   2.7246  113.208   3.0524 -2.547905 4.091534 
1 1 1   12    6  -18 o  236.884   1.6150 16240.03  220.264 16527.82  301.418 15910.24  322.667  239.148   2.1823  234.620   2.3812 4.527405 3.229986 
1 1 1   12    7  -18 o  185.402   1.7331  9931.31  185.293  9855.08  254.577 10017.19  270.209  184.651   2.3872  186.154   2.5133 -1.503174 3.466287 
1 1 1   12    8  -18 o   16.187   5.3632 -177.2440  125.332 -103.0122  156.769 -308.7256  208.640   16.355   7.4660   16.018   7.7017 0.3372574 10.72647 
1 1 1   12    9  -18 o   41.762   4.8314  520.463  111.309  489.453  172.882  542.418  145.471   40.309   7.7070   43.214   5.8286 -2.905132 9.662847 
1 1 1   12   10  -18 o   45.466   6.5341  563.500  134.266  712.513  319.302  531.492  147.985   48.165   11.614   42.766   5.9915 5.398804 13.06815 
1 1 1   12   11  -18 o  142.169   2.3630  5882.46  182.589  5746.97  315.469  5950.72  223.904  140.881   3.8772  143.456   2.7024 -2.575745 4.726094 
1 1 1   12   12  -18 o  177.602   2.5449  9119.50  261.037   0.0000   0.0000  9119.50  261.037  ?   ?   177.602   2.5449      ?      ? 
1 1 1   12   13  -18 o   33.037   7.8486  179.825  165.541  575.456  339.685   56.598  189.576   43.528   12.716   22.546   9.2042 20.98155 15.69724 
1 1 1   12   14  -18 o  114.170   2.1662  3761.84  137.484  3737.79  172.196  3804.13  228.340  113.695   2.6224  114.644   3.4486 -0.9491959 4.332413 
1 1 1   12   15  -18 o   63.190   3.5266  1158.15  128.666  1180.22  184.728  1137.35  179.314   63.773   5.0155   62.608   4.9591 1.165359 7.053166 
1 1 1   12   16  -18 o   89.744   2.5293  2332.43  131.036  2255.04  185.496  2409.51  185.129   88.254   3.6393   91.234   3.5134 -2.980568 5.058521 
1 1 1   12   17  -18 o   16.241   5.5817 -379.2745  159.834 -367.3119  204.467 -398.0701  256.293   15.002   7.3096   17.480   8.4374 -2.477072 11.16337 
1 1 1   12   18  -18 f  274.472   1.8358 21769.69  291.014 21769.69  291.014   0.0000   0.0000  274.472   1.8358  ?   ?       ?      ? 
1 1 1   12   19  -18 o   13.827   4.9614 -885.7936  185.958 -992.2339  310.827 -826.4587  232.071   15.122   7.6248   12.532   6.3501 2.589741 9.922727 
1 1 1   12   20  -18 o  153.794   2.0879  6915.06  174.120  6632.71  300.737  7057.43  213.554  151.354   3.4404  156.234   2.3667 -4.879181 4.175829 
1 1 1   12   21  -18 f  202.928   1.8098 11918.54  211.945 11609.94  303.114 12213.75  296.468  200.348   2.6196  205.508   2.4978 -5.158951 3.619597 
1 1 1   12   22  -18 o  136.672   2.5842  5404.29  193.029  5387.80  237.175  5436.64  332.205  136.437   3.0099  136.906   4.2014 -0.4691925 5.168311 
1 1 1   12   23  -18 o  119.980   2.8285  4166.00  196.000   0.0000   0.0000  4166.00  196.000  ?   ?   119.980   2.8285      ?      ? 
1 1 1   12   24  -18 o  142.369   3.2106  5889.79  263.949  5956.20  371.560  5822.13  375.024  143.188   4.4930  141.549   4.5874 1.638580 6.421162 
1 1 1   12   25  -18 o  153.137   2.9384  6791.22  259.878   0.0000   0.0000  6791.22  259.878  ?   ?   153.137   2.9384      ?      ? 
1 1 1   12   26  -18 o  117.716   3.4160  4137.20  207.265  4270.50  245.564  3807.03  386.480  121.333   3.5043  114.098   5.8649 7.235344 6.832098 
1 1 1   12   27  -18 o   57.137   3.7529  950.104  123.581  874.877  169.164  1036.20  180.972   54.715   5.3532   59.558   5.2612 -4.843288 7.505804 
1 1 1   12   28  -18 o  170.536   2.1836  8417.57  215.070   0.0000   0.0000  8417.57  215.070  ?   ?   170.536   2.1836      ?      ? 
1 1 1   12   29  -18 f   16.685   5.4190 -154.1036  125.363 -23.1034  169.811 -311.0261  185.854   18.904   8.2484   14.466   7.0303 4.438042 10.83798 
1 1 1   12   30  -18 o  108.985   2.3453  3427.99  146.269  3267.53  192.369  3647.88  225.201  106.026   3.1415  111.943   3.4833 -5.917389 4.690640 
1 1 1   12   31  -18 o   65.091   3.3697  1228.54  106.071  1214.65  120.412  1276.64  224.113   64.591   3.2278   65.592   5.9161 -1.000572 6.739348 
1 1 1   12   32  -18 o   63.089   4.0383  1068.43  105.224  1022.09  113.225  1362.05  284.992   59.188   3.3122   66.989   7.3662 -7.800797 8.076611 
1 1 1   12   33  -18 o   11.655   5.7654 -311.1189  143.405 -311.1189  143.405   0.0000   0.0000   11.655   5.7654  ?   ?       ?      ? 
1 1 1   12   34  -18 o  104.316   3.6409  3198.85  219.353   0.0000   0.0000  3198.85  219.353  ?   ?   104.316   3.6409      ?      ? 
1 1 1   12   35  -18 f   52.911   4.5807  872.895  134.580  816.615  217.923  907.591  171.107   51.013   7.3966   54.808   5.4055 -3.794426 9.161334 
1 1 1   12   36  -18 o   54.555   4.5601  916.967  142.760  983.688  216.962  866.023  189.583   56.147   6.6907   52.963   6.1979 3.184013 9.120287 
1 1 1   12   37  -18 o   32.170   7.5576  347.417  141.478  408.026  327.801  333.543  156.837   33.086   12.516   31.254   8.4751 1.831423 15.11513 
1 1 1   12   38  -18 o   70.026   4.5148  1509.25  179.732  1374.99  231.005  1715.19  286.103   66.473   6.0171   73.579   6.7327 -7.105110 9.029632 
1 1 1   12   39  -18 o   62.679   4.9306  1141.69  154.674  1534.81  325.354  1026.91  175.812   67.583   8.3355   57.774   5.2690 9.809116 9.861187 
1 1 1   12   40  -18 o   46.949   5.7138  745.990  145.354  772.879  239.974  730.408  182.677   46.302   9.2968   47.597   6.6454 -1.295082 11.42769 
1 1 1   12   41  -18 o   44.053   6.9445  773.151  149.552  661.263  323.062  803.668  168.719   37.847   12.614   50.260   5.8124 -12.41268 13.88909 
1 1 1   12    0  -19 o   86.352   4.1957  2196.64  194.754  2210.55  239.028  2169.17  335.911   87.018   4.7893   85.686   6.8903 -0.000000 0.000000 
1 1 1   12    1  -19 o   31.495   6.4194  332.716  130.082  427.608  148.008   10.616  272.687   37.727   7.0520   25.262   10.729 12.46524 12.83873 
1 1 1   12    2  -19 o   96.509   3.4705  2597.42  168.263  2498.13  193.061  2911.12  343.180   92.909   3.5979  100.109   5.9356 -7.199684 6.940910 
1 1 1   12    3  -19 o  ?   ?  -847.3213  124.877 -957.5895  176.482 -736.7511  176.723  ?   ?   ?   ?       ?      ? 
1 1 1   12    4  -19 o   39.407   5.4675  468.557  119.762  471.728  164.077  464.942  175.208   39.599   7.4476   39.215   8.0068 0.3838806 10.93508 
1 1 1   12    5  -19 o  157.626   1.5680  7174.54  140.055  7214.17  220.792  7147.85  181.168  157.977   2.4199  157.275   1.9945 0.7022247 3.135946 
1 1 1   12    6  -19 o  166.944   1.4801  8049.04  142.655  7789.12  198.940  8324.15  204.672  164.172   2.0982  169.717   2.0881 -5.545486 2.960129 
1 1 1   12    7  -19 o   49.686   4.7712  711.090  135.792  662.929  178.781  776.760  208.764   47.734   6.4850   51.638   7.0001 -3.904041 9.542333 
1 1 1   12    8  -19 o  147.138   1.7894  6251.02  147.678  6225.42  187.488  6292.87  239.697  146.762   2.2119  147.514   2.8135 -0.7523804 3.578879 
1 1 1   12    9  -19 o   68.648   3.3862  1450.11  121.605  1594.16  148.449  1156.25  212.022   74.217   3.4633   63.079   5.8198 11.13799 6.772318 
1 1 1   12   10  -19 o   78.976   3.1731  1831.91  142.096  1959.91  188.168  1662.06  216.759   82.262   3.9606   75.690   4.9585 6.571457 6.346127 
1 1 1   12   11  -19 o  121.101   1.7552  4245.05  120.688  4268.14  157.155  4211.86  188.426  121.516   2.2393  120.686   2.7033 0.8303146 3.510331 
1 1 1   12   12  -19 o   67.565   5.0649  1246.65  170.464  1502.44  357.378  1171.32  193.948   71.614   8.6406   63.516   5.2871 8.097855 10.12979 
1 1 1   12   13  -19 o   19.215   6.2050 -116.4163  146.519 -520.5219  315.047  -4.8900  165.507   19.022   9.2232   19.408   8.3029 -0.3861237 12.40992 
1 1 1   12   14  -19 o  136.768   2.1522  5537.22  145.425  5660.22  167.920  5168.17  290.864  139.944   2.0776  133.592   3.7699 6.351578 4.304442 
1 1 1   12   15  -19 o   75.372   3.1668  1637.05  137.266  1544.45  184.086  1753.02  206.004   72.993   4.3667   77.750   4.5876 -4.757179 6.333613 
1 1 1   12   16  -19 o   90.071   3.3179  2333.64  167.263  2275.88  210.660  2432.16  275.137   88.622   4.1158   91.520   5.2053 -2.897453 6.635896 
1 1 1   12   17  -19 o  179.055   1.8669  9287.04  192.082  9113.69  284.917  9431.48  260.071  177.507   2.7792  180.604   2.4933 -3.096985 3.733702 
1 1 1   12   18  -19 o   80.268   4.6089  1927.98  198.427  2023.73  243.126  1736.98  343.391   83.481   5.0426   77.055   7.7162 6.426468 9.217787 
1 1 1   12   19  -19 o  229.254   1.9937 15233.28  254.489 15097.08  418.960 15312.91  320.364  228.384   3.1763  230.124   2.4104 -1.739853 3.987376 
1 1 1   12   20  -19 o  186.178   1.7069 10031.10  182.089 10083.17  243.068  9964.51  274.883  186.746   2.2537  185.611   2.5642 1.135895 3.413853 
1 1 1   12   21  -19 o  154.829   2.6020  7108.04  190.777  7233.98  216.197  6664.95  405.520  158.159   2.3668  151.499   4.6347 6.660538 5.204044 
1 1 1   12   22  -19 o  141.267   2.0905  5768.09  170.399  5978.55  247.692  5578.98  234.788  143.707   2.9843  138.828   2.9283 4.878769 4.181055 
1 1 1   12   23  -19 o  ?   ?  -995.8381  204.115   0.0000   0.0000 -995.8381  204.115  ?   ?   ?   ?       ?      ? 
1 1 1   12   24  -19 o   91.541   3.8308  2432.57  176.310  2467.16  350.478  2420.85  204.002   91.753   6.6138   91.329   3.8676 0.4248047 7.661672 
1 1 1   12   25  -19 f  108.007   4.0995  3390.10  255.723   0.0000   0.0000  3390.10  255.723  ?   ?   108.007   4.0995      ?      ? 
1 1 1   12   26  -19 o  124.138   2.7178  4464.15  194.851   0.0000   0.0000  4464.15  194.851  ?   ?   124.138   2.7178      ?      ? 
1 1 1   12   27  -19 f   18.313   8.2734 -89.6430  186.485   0.0000   0.0000 -89.6430  186.485  ?   ?    18.313   8.2734      ?      ? 
1 1 1   12   28  -19 o   51.683   4.7749  805.492  135.746  741.902  224.387  842.199  170.480   49.826   7.7976   53.540   5.5133 -3.714180 9.549813 
1 1 1   12   29  -19 o  104.610   2.5394  3183.44  150.604  3166.43  194.983  3208.60  237.119  104.348   3.2354  104.871   3.9149 -0.5226898 5.078831 
1 1 1   12   30  -19 o   94.493   2.5330  2591.64  134.928  2546.05  172.279  2663.97  217.006   93.522   3.1896   95.464   3.9359 -1.941879 5.066058 
1 1 1   12   31  -19 o   81.532   3.9732  1914.77  175.726  2158.66  314.234  1803.80  211.968   84.834   6.4135   78.229   4.6916 6.605537 7.946320 
1 1 1   12   32  -19 o   81.509   4.1949  2033.64  187.206  2133.25  234.368  1858.05  311.161   84.865   4.7817   78.152   6.8938 6.712814 8.389823 
1 1 1   12   33  -19 o  102.813   3.9625  3116.75  235.288  3116.75  235.288   0.0000   0.0000  102.813   3.9625  ?   ?       ?      ? 
1 1 1   12   34  -19 o   20.261   6.1683   29.115  128.215   39.237  163.336   12.866  206.959   19.648   8.3216   20.875   9.1072 -1.226170 12.33652 
1 1 1   12   35  -19 o   64.065   4.9853  1421.14  142.954  1050.84  297.856  1531.97  162.947   56.271   9.1651   71.859   3.9263 -15.58751 9.970653 
1 1 1   12   36  -19 o   75.295   3.6094  1730.91  155.882  1569.66  225.859  1877.59  215.414   71.665   5.4569   78.925   4.7258 -7.260872 7.218770 
1 1 1   12   37  -19 o   30.766   9.1181  331.911  173.577   0.0000   0.0000  331.911  173.577  ?   ?    30.766   9.1181      ?      ? 
1 1 1   12   38  -19 o   42.702   7.7675  619.577  178.989  933.625  337.385  496.568  211.153   48.496   12.089   36.908   9.7574 11.58768 15.53509 
1 1 1   12   39  -19 o   36.709   7.7036  403.564  149.994  850.580  334.720  291.243  167.783   44.964   12.459   28.455   9.0636 16.50895 15.40716 
1 1 1   12   40  -19 o   22.052   6.6681 -18.8711  144.852  342.544  270.357 -164.3915  171.553   29.264   11.293   14.839   7.0945 14.42528 13.33629 
1 1 1   12    0  -20 o   9.8341   5.1593 -420.0253  139.700 -356.2313  154.174 -712.7357  330.248   7.8760   5.7419   11.792   8.5734 -0.000000 0.000000 
1 1 1   12    1  -20 o   79.996   3.0671  1823.55  135.171  1955.63  232.158  1755.81  166.257   82.114   4.8953   77.879   3.6964 4.234863 6.134128 
1 1 1   12    2  -20 o   81.686   3.0338  1952.30  140.417  1827.34  216.993  2042.32  184.176   79.386   4.7328   83.987   3.7970 -4.601128 6.067664 
1 1 1   12    3  -20 o  118.045   2.2436  4022.72  151.379  4091.15  232.250  3972.18  199.605  118.901   3.3821  117.189   2.9491 1.712082 4.487301 
1 1 1   12    4  -20 o   32.043   6.5492  311.463  124.382  332.381  151.476  268.166  217.934   33.078   8.0135   31.009   10.361 2.069260 13.09846 
1 1 1   12    5  -20 o   32.363   5.3921  341.033  102.973  170.131  169.501  441.002  129.637   25.769   9.1161   38.958   5.7616 -13.18949 10.78425 
1 1 1   12    6  -20 o   52.345   6.0050  850.434  167.238  952.651  213.431  687.854  269.171   57.211   6.4594   47.479   10.125 9.731960 12.01009 
1 1 1   12    7  -20 o   79.747   2.5169  1846.40  115.483  1763.92  168.476  1919.51  158.606   78.052   3.7374   81.442   3.3720 -3.389664 5.033748 
1 1 1   12    8  -20 o   99.944   2.5690  2901.01  145.054  2846.75  229.311  2937.20  187.286   99.135   4.0051  100.753   3.2186 -1.617653 5.138096 
1 1 1   12    9  -20 o  118.409   2.2516  3983.10  142.581  4250.78  259.491  3867.33  170.651  121.165   3.7082  115.652   2.5549 5.513107 4.503103 
1 1 1   12   10  -20 o  128.115   1.9006  4742.29  137.715  4725.90  177.463  4767.10  218.351  127.855   2.4033  128.375   2.9450 -0.5197678 3.801171 
1 1 1   12   11  -20 o   82.886   2.9501  1979.46  137.492  2039.43  222.877  1942.62  174.693   83.863   4.6016   81.909   3.6928 1.954063 5.900126 
1 1 1   12   12  -20 o  190.301   2.1328 10608.59  193.599 10242.46  410.707 10713.18  219.517  188.065   3.7813  192.537   1.9741 -4.471725 4.265580 
1 1 1   12   13  -20 o   57.398   3.7621  968.069  123.050  804.559  176.701  1122.02  171.457   52.605   5.8161   62.191   4.7736 -9.586163 7.524220 
1 1 1   12   14  -20 o   98.852   2.1731  2809.76  122.269  2927.83  191.515  2728.53  158.856  100.580   3.2969   97.124   2.8320 3.455261 4.346239 
1 1 1   12   15  -20 f   82.484   3.3465  1968.53  159.157  1881.63  217.554  2068.58  233.451   80.535   4.6773   84.432   4.7874 -3.896942 6.693032 
1 1 1   12   16  -20 o   61.499   4.1032  1025.72  138.059  1338.30  248.225  885.719  166.125   67.779   6.3411   55.218   5.2091 12.56047 8.206398 
1 1 1   12   17  -20 o   68.182   3.2637  1353.06  128.099  1281.20  185.556  1418.50  177.062   66.431   4.8363   69.934   4.3838 -3.502136 6.527486 
1 1 1   12   18  -20 o  109.026   2.5085  3443.04  157.582  3440.86  230.841  3444.95  215.644  108.982   3.6675  109.070   3.4233 -0.8724976E-01 5.016955 
1 1 1   12   19  -20 o   96.932   3.0216  2722.85  168.982  2554.26  235.113  2903.01  243.039   93.825   4.3389  100.039   4.2065 -6.214775 6.043193 
1 1 1   12   20  -20 o   88.044   3.1098  2265.89  153.487  2318.15  196.135  2183.32  246.535   89.421   3.7978   86.666   4.9254 2.755089 6.219545 
1 1 1   12   21  -20 f   42.658   6.9296  584.297  158.847  448.711  294.434  639.962  188.658   38.574   11.968   46.741   6.9886 -8.167538 13.85923 
1 1 1   12   22  -20 o  175.955   1.7733  9009.23  176.488  9222.42  229.124  8698.18  276.752  178.567   2.2217  173.342   2.7644 5.224640 3.546520 
1 1 1   12   23  -20 o  105.728   2.8375  3227.76  157.203  3290.90  293.209  3202.28  186.232  106.325   4.7748  105.131   3.0672 1.193924 5.675070 
1 1 1   12   24  -20 o   61.155   3.3487  1091.32  117.741  1109.81  159.911  1069.42  174.002   61.749   4.4840   60.560   4.9749 1.188980 6.697410 
1 1 1   12   25  -20 o   69.777   3.8639  1452.68  140.487  1492.39  167.424  1358.18  258.268   71.628   4.0472   67.927   6.5833 3.701073 7.727826 
1 1 1   12   26  -20 o   37.698   7.0886  441.198  157.758  363.744  214.472  532.511  232.870   34.255   10.132   41.141   9.9169 -6.885681 14.17715 
1 1 1   12   27  -20 o   64.428   5.5875  1250.11  204.873  1290.38  270.686  1196.11  313.468   65.867   7.1157   62.989   8.6167 2.877506 11.17501 
1 1 1   12   28  -20 o   46.647   9.3906  686.645  244.235  686.645  244.235   0.0000   0.0000   46.647   9.3906  ?   ?       ?      ? 
1 1 1   12   29  -20 f   32.109   7.6837  312.117  156.080  273.503  319.260  324.245  178.919   32.230   12.313   31.988   9.1951 0.2417450 15.36748 
1 1 1   12   30  -20 o  106.635   3.2923  3395.85  190.404  3216.80  326.812  3487.86  234.271  104.086   5.4365  109.184   3.7151 -5.097977 6.584658 
1 1 1   12   31  -20 o   46.242   4.7929  641.309  126.695  593.905  165.579  708.261  196.781   44.309   6.4704   48.175   7.0726 -3.865604 9.585793 
1 1 1   12   32  -20 o   43.743   9.5487  638.244  234.464  638.244  234.464   0.0000   0.0000   43.743   9.5487  ?   ?       ?      ? 
1 1 1   12   33  -20 o   55.816   6.4421  1079.71  186.036  1219.99  233.857  837.915  307.019   62.998   6.4274   48.633   11.166 14.36528 12.88416 
1 1 1   12   34  -20 o   68.954   5.0529  1440.85  175.220  1616.48  352.439  1383.19  201.946   70.279   8.6831   67.629   5.1703 2.650116 10.10584 
1 1 1   12   35  -20 o   63.547   4.5755  1267.64  165.812  1211.66  251.105  1310.93  220.795   61.866   7.0278   65.228   5.8609 -3.362614 9.150987 
1 1 1   12   36  -20 o   18.530   6.0052 -57.4002  137.407 -107.1781  245.165 -34.6025  165.915   19.594   9.0850   17.467   7.8557 2.126062 12.01036 
1 1 1   12   37  -20 o   30.488   7.8684  341.014  180.136  300.386  246.303  387.736  264.132   29.074   10.880   31.901   11.370 -2.827232 15.73687 
1 1 1   12   38  -20 o   35.297   7.2106  471.514  154.844  490.111  228.824  455.805  210.309   35.744   10.435   34.850   9.9542 0.8945007 14.42118 
1 1 1   12   39  -20 f   49.990   4.7671  770.409  129.411  956.347  233.836  688.316  155.374   53.323   7.5929   46.656   5.7661 6.667068 9.534206 
1 1 1   12    0  -21 o   74.103   4.7069  1591.49  167.465  1557.23  191.264  1704.02  346.658   72.933   4.5821   75.273   8.2234 -0.000000 0.000000 
1 1 1   12    1  -21 o   49.960   4.2799  723.679  123.199  756.651  181.940  695.759  167.424   51.001   6.1769   48.920   5.9258 2.080921 8.559734 
1 1 1   12    2  -21 o  103.765   2.5474  3081.68  140.243  3206.51  257.386  3028.97  167.252  105.193   4.2366  102.337   2.8298 2.855423 5.094718 
1 1 1   12    3  -21 o  286.522   2.0739 23565.95  323.555 23214.21  394.866 24284.71  564.455  283.370   2.4127  289.674   3.3739 -6.303894 4.147844 
1 1 1   12    4  -21 o   92.237   3.2191  2501.45  150.402  2393.88  291.541  2540.47  175.568   90.776   5.5609   93.699   3.2443 -2.923019 6.438101 
1 1 1   12    5  -21 o   65.885   3.7554  1283.53  135.676  1339.42  169.456  1183.72  226.456   67.982   4.3160   63.789   6.1468 4.192146 7.510738 
1 1 1   12    6  -21 o  333.561   2.0382 32361.41  317.124 31877.50  697.217 32487.64  356.090  331.819   3.6382  335.303   1.8388 -3.483643 4.076443 
1 1 1   12    7  -21 o  211.386   2.5846 12942.80  314.718 13012.89  430.429 12862.29  461.333  212.022   3.5151  210.750   3.7902 1.272049 5.169264 
1 1 1   12    8  -21 o  237.602   2.0432 16286.11  262.001 16208.33  317.836 16451.02  462.808  236.788   2.3241  238.415   3.3611 -1.627289 4.086381 
1 1 1   12    9  -21 f   54.052   5.0205  839.615  155.335  947.742  240.028  761.697  203.756   56.987   7.2929   51.116   6.9019 5.870598 10.04105 
1 1 1   12   10  -21 o  131.085   2.1193  4964.62  156.969  4940.08  201.822  5002.19  249.726  130.700   2.6737  131.471   3.2889 -0.7704468 4.238558 
1 1 1   12   11  -21 o  102.743   3.2935  3174.37  155.166  2877.11  341.255  3251.85  174.216   99.457   5.9410  106.030   2.8450 -6.572960 6.587058 
1 1 1   12   12  -21 o  134.497   2.5856  5219.17  164.208  5271.79  357.226  5205.07  184.901  134.818   4.5879  134.177   2.3860 0.6407928 5.171249 
1 1 1   12   13  -21 o  165.421   1.5586  7904.15  148.476  7833.04  202.008  7987.71  218.970  164.618   2.1247  166.223   2.2809 -1.604980 3.117229 
1 1 1   12   14  -21 o  167.368   2.2650  8036.21  184.881  7975.25  210.626  8240.87  385.907  166.097   2.1957  168.638   3.9623 -2.540497 4.529944 
1 1 1   12   15  -21 o   74.900   3.0843  1623.75  133.193  1682.04  195.316  1573.08  182.105   76.148   4.4412   73.652   4.2811 2.495697 6.168582 
1 1 1   12   16  -21 o  137.700   2.2145  5501.75  175.632  5729.14  242.939  5252.77  254.206  140.702   2.9896  134.697   3.2677 6.004669 4.428935 
1 1 1   12   17  -21 o   76.495   3.4561  1637.80  143.079  1877.25  258.328  1531.83  171.845   80.312   5.5693   72.679   4.0940 7.633499 6.912180 
1 1 1   12   18  -21 o   69.910   3.5870  1421.97  144.716  1448.46  201.932  1394.01  207.499   70.590   4.9531   69.229   5.1897 1.361916 7.173994 
1 1 1   12   19  -21 f   99.415   3.6056  2849.72  195.811  2797.51  239.638  2954.60  339.667   98.173   4.2265  100.657   5.8428 -2.483887 7.211232 
1 1 1   12   20  -21 o  195.611   1.7249 11007.49  192.677 10673.25  252.439 11473.95  298.222  192.097   2.2754  199.124   2.5932 -7.027267 3.449891 
1 1 1   12   21  -21 o  109.218   3.9143  3462.58  246.904   0.0000   0.0000  3462.58  246.904  ?   ?   109.218   3.9143      ?      ? 
1 1 1   12   22  -21 o  101.425   2.1727  2987.32  126.519  3042.22  170.819  2920.61  188.307  102.480   2.8861  100.370   3.2485 2.110634 4.345346 
1 1 1   12   23  -21 o  217.898   1.9671 13738.41  224.297 13715.82  265.841 13794.21  417.865  217.735   2.1140  218.060   3.3180 -0.3246613 3.934221 
1 1 1   12   24  -21 o   17.604   5.5453 -53.3656  113.109 -111.4091  181.532 -16.5313  144.612   17.569   8.0255   17.638   7.6547 -0.6859779E-01 11.09062 
1 1 1   12   25  -21 o   20.435   6.8322 -282.1080  194.233 -217.7762  343.483 -312.3494  235.502   23.624   10.883   17.247   8.2635 6.376730 13.66444 
1 1 1   12   26  -21 o   42.001   6.9694  559.386  166.085  568.243  238.989  551.112  230.975   42.300   9.9492   41.702   9.7625 0.5983849 13.93890 
1 1 1   12   27  -21 o  125.051   2.2792  4506.63  156.554  4687.50  268.700  4413.68  192.627  126.796   3.6693  123.306   2.7049 3.489365 4.558476 
1 1 1   12   28  -21 o   63.016   5.6228  1300.25  154.941  1078.53  332.840  1361.59  175.067   57.928   10.327   68.105   4.4508 -10.17659 11.24553 
1 1 1   12   29  -21 o   61.382   5.1593  1100.05  158.177  1238.19  323.399  1056.62  181.349   63.082   8.8767   59.682   5.2612 3.399155 10.31870 
1 1 1   12   30  -21 o   87.374   3.3640  2256.94  165.445  2288.03  266.027  2237.33  211.272   87.615   5.2573   87.132   4.1983 0.4830780 6.727918 
1 1 1   12   31  -21 o   24.077   7.5023  -2.2017  165.297  173.099  364.994 -47.4316  185.399   29.543   12.472   18.611   8.3419 10.93257 15.00456 
1 1 1   12   32  -21 o   48.579   5.1616  760.563  129.822  789.729  158.695  701.557  225.723   51.145   5.3725   46.013   8.8150 5.131924 10.32315 
1 1 1   12   33  -21 o   28.913   6.9179  281.316  136.329  289.839  175.908  268.499  215.724   29.253   9.2765   28.574   10.265 0.6790867 13.83585 
1 1 1   12   34  -21 o   80.631   3.2457  1915.99  151.146   0.0000   0.0000  1915.99  151.146  ?   ?    80.631   3.2457      ?      ? 
1 1 1   12   35  -21 o   33.759   7.1105  459.993  151.725  167.872  358.977  523.528  167.414   27.719   12.045   39.799   7.5599 -12.07950 14.22100 
1 1 1   12   36  -21 o   41.365   5.9259  535.476  129.440  758.698  234.251  437.361  155.304   46.674   9.0164   36.056   7.6924 10.61778 11.85190 
1 1 1   12   37  -21 o   36.645   8.7318  475.637  182.173   0.0000   0.0000  475.637  182.173  ?   ?    36.645   8.7318      ?      ? 
1 1 1   12   38  -21 o   47.677   5.4205  778.666  140.763  720.648  221.160  818.174  182.503   44.842   8.8538   50.512   6.2559 -5.669643 10.84095 
1 1 1   12    0  -22 o   72.469   4.8485  1563.04  197.909  1556.65  267.944  1570.72  293.579   72.404   6.5297   72.533   7.1689 -0.000000 0.000000 
1 1 1   12    1  -22 o   30.549   8.1880  180.229  194.080  110.408  243.855  300.875  320.552   26.544   10.579   34.553   12.500 -8.008560 16.37594 
1 1 1   12    2  -22 o   86.945   2.4381  2122.32  114.315  2013.13  137.170  2370.59  206.833   83.427   2.8469   90.464   3.9588 -7.036247 4.876109 
1 1 1   12    3  -22 o   14.628   5.0525 -339.7779  134.529 -403.1686  222.630 -303.3178  168.842   15.610   7.6103   13.647   6.6478 1.962516 10.10493 
1 1 1   12    4  -22 o   20.263   6.3640 -69.9033  148.062 -374.6334  290.190   37.347  172.156   19.482   9.2899   21.045   8.7007 -1.563128 12.72809 
1 1 1   12    5  -22 o  150.328   1.8620  6575.14  159.251  6787.35  209.897  6287.27  244.465  153.224   2.3719  147.432   2.8710 5.791504 3.724075 
1 1 1   12    6  -22 o  190.353   1.7456 10473.06  188.719 10458.23  245.451 10494.52  295.147  190.209   2.2343  190.496   2.6827 -0.2870941 3.491272 
1 1 1   12    7  -22 o   13.831   4.8873 -610.3118  158.202 -732.5463  218.154 -474.7245  229.760   12.446   6.2892   15.215   7.4825 -2.769311 9.774579 
1 1 1   12    8  -22 o  243.346   1.9677 17219.04  260.884 17406.99  320.629 16850.84  448.766  245.388   2.2624  241.304   3.2201 4.083542 3.935406 
1 1 1   12    9  -22 o  218.486   2.2189 13689.54  262.241 14165.86  463.880 13465.82  317.917  221.177   3.6315  215.794   2.5509 5.382233 4.437839 
1 1 1   12   10  -22 o   88.851   3.8905  2250.03  172.538  2207.27  198.190  2383.91  350.654   87.283   3.9316   90.420   6.7147 -3.137825 7.781057 
1 1 1   12   11  -22 o   59.783   4.7438  997.988  151.404  1158.89  281.161  932.277  179.680   62.935   7.7354   56.631   5.4937 6.304035 9.487683 
1 1 1   12   12  -22 o   62.972   3.4100  1140.73  120.245  1193.41  197.702  1109.80  151.485   64.078   5.3421   61.867   4.2396 2.211529 6.820034 
1 1 1   12   13  -22 o   43.929   6.0302  632.685  137.969  433.280  238.947  732.416  168.984   37.697   10.556   50.161   5.8330 -12.46409 12.06031 
1 1 1   12   14  -22 o   86.327   3.2559  2163.33  160.689  2163.95  212.702  2162.50  245.255   86.373   4.2639   86.281   4.9218 0.9255981E-01 6.511881 
1 1 1   12   15  -22 o   41.061   6.5477  569.328  135.510  631.601  154.647  363.382  281.234   46.570   5.7498   35.552   11.766 11.01821 13.09543 
1 1 1   12   16  -22 o   78.853   3.1272  1786.62  140.734  1692.46  183.423  1921.39  219.441   76.377   4.1582   81.329   4.6718 -4.951820 6.254332 
1 1 1   12   17  -22 o  129.295   2.8906  4848.89  195.669  4846.29  232.075  4855.27  363.893  129.367   3.1061  129.224   4.8758 0.1428375 5.781128 
1 1 1   12   18  -22 o  140.141   2.8728  5718.68  217.794  5647.47  380.642  5753.34  265.560  139.364   4.7291  140.919   3.2629 -1.554306 5.745548 
1 1 1   12   19  -22 o   92.280   3.0018  2489.47  157.550  2378.01  241.941  2571.53  207.599   90.422   4.6328   94.137   3.8184 -3.714973 6.003604 
1 1 1   12   20  -22 o   75.787   3.9473  1623.06  163.831  1847.86  288.263  1515.80  199.115   79.424   6.2843   72.151   4.7783 7.272789 7.894581 
1 1 1   12   21  -22 o  131.578   2.1992  5027.46  166.821  4737.62  237.828  5308.18  234.057  127.820   3.2217  135.336   2.9945 -7.516312 4.398417 
1 1 1   12   22  -22 o  134.648   2.8974  5182.04  196.082  5464.69  393.861  5088.90  226.093  136.805   4.9849  132.491   2.9547 4.313660 5.794784 
1 1 1   12   23  -22 o   64.739   3.6600  1212.02  128.993  1183.60  157.176  1270.64  225.759   63.728   4.2704   65.749   5.9453 -2.020531 7.320020 
1 1 1   12   24  -22 o   96.006   3.0576  2679.22  168.403  2782.62  255.243  2599.51  224.099   97.590   4.5286   94.421   4.1095 3.168419 6.115213 
1 1 1   12   25  -22 o   17.850   6.0660 -274.8788  166.177 -169.5132  190.916 -604.2391  337.543   16.891   7.8939   18.808   9.2125 -1.917173 12.13192 
1 1 1   12   26  -22 o   93.574   3.6335  2514.68  183.260  2405.46  220.314  2759.98  330.167   90.662   4.2076   96.486   5.9249 -5.824875 7.266948 
1 1 1   12   27  -22 o   88.804   2.6308  2290.43  130.916  2245.68  165.433  2365.41  214.138   87.774   3.2634   89.834   4.1273 -2.059402 5.261624 
1 1 1   12   28  -22 o   74.720   3.6661  1639.36  157.315  1490.46  209.417  1832.21  238.331   70.894   5.1147   78.546   5.2538 -7.652008 7.332231 
1 1 1   12   29  -22 o   61.442   4.4058  1187.65  142.788  1013.32  248.668  1273.41  174.408   57.314   7.5123   65.570   4.6054 -8.256123 8.811624 
1 1 1   12   30  -22 o   13.526   4.8156 -496.9577  137.883 -378.4505  242.766 -553.3912  167.527   16.286   7.9417   10.766   5.4488 5.520020 9.631155 
1 1 1   12   31  -22 o   33.611   6.2205  415.254  126.132  208.565  244.088  490.553  147.327   27.297   10.675   39.926   6.3892 -12.62899 12.44099 
1 1 1   12   32  -22 o   18.317   5.9406 -80.8478  140.978 -205.1929  241.708 -16.7369  173.557   18.173   8.6119   18.460   8.1853 -0.2872810 11.88127 
1 1 1   12   33  -22 o   77.202   3.0338  1785.40  121.040  1788.50  142.712  1777.44  228.481   77.933   3.1707   76.471   5.1733 1.462372 6.067665 
1 1 1   12   34  -22 o   15.316   5.2320 -234.2590  136.951 -405.2527  239.504 -151.1879  166.935   15.484   7.6195   15.147   7.1720 0.3367262 10.46392 
1 1 1   12   35  -22 o   38.413   5.1908  488.314  112.083  564.934  157.201  409.089  159.852   42.277   6.4381   34.549   8.1442 7.728626 10.38162 
1 1 1   12   36  -22 o   40.352   7.2842  700.932  175.437  382.778  367.891  794.579  199.594   31.190   12.788   49.513   6.9798 -18.32288 14.56850 
1 1 1   12   37  -22 o   54.471   6.7676  1047.11  143.700  1111.26  372.112  1035.86  155.785   50.782   12.716   58.159   4.6379 -7.376545 13.53528 
1 1 1   12    0  -23 o  258.745   2.0675 19437.96  298.173 19671.06  376.737 19047.11  487.836  260.876   2.5010  256.615   3.2928 -0.000000 0.000000 
1 1 1   12    1  -23 f  153.777   1.8542  6820.59  163.751  7003.11  246.364  6676.14  219.171  155.605   2.7414  151.950   2.4975 3.655518 3.708420 
1 1 1   12    2  -23 o  300.907   1.8561 26171.73  322.364 25838.62  446.768 26533.51  465.598  298.917   2.5879  302.897   2.6615 -3.980438 3.712265 
1 1 1   12    3  -23 o  132.945   2.4537  5058.27  173.667  4968.27  207.632  5267.86  316.854  131.062   2.7430  134.827   4.0691 -3.764618 4.907306 
1 1 1   12    4  -23 o   75.800   3.2021  1670.88  136.648  1686.67  175.193  1646.34  218.357   76.297   3.9758   75.304   5.0207 0.9929657 6.404273 
1 1 1   12    5  -23 o  204.189   1.9639 11920.45  197.184 12326.51  407.619 11796.39  225.299  206.345   3.4204  202.033   1.9309 4.312332 3.927756 
1 1 1   12    6  -23 f   19.710   6.3183 -91.8162  146.012 -510.3108  326.425   12.862  163.255   19.633   9.4880   19.786   8.3463 -0.1525307 12.63657 
1 1 1   12    7  -23 o  125.149   1.9241  4470.52  128.796  4375.34  154.433  4687.95  233.420  123.027   2.1735  127.271   3.1756 -4.243576 3.848162 
1 1 1   12    8  -23 o   61.086   3.4521  1082.73  121.282  1090.32  180.200  1076.44  163.983   61.267   5.0926   60.905   4.6619 0.3622437 6.904224 
1 1 1   12    9  -23 o  199.107   2.0923 11442.89  182.899 11427.64  201.337 11514.90  437.492  198.859   1.7530  199.355   3.7998 -0.4955292 4.184668 
1 1 1   12   10  -23 o   28.546   6.9315  212.430  125.683  235.298  247.448  204.480  145.905   30.492   10.990   26.600   8.4498 3.892269 13.86295 
1 1 1   12   11  -23 o   18.074   6.0423 -335.3856  166.074 -108.2686  255.312 -501.9665  218.655   21.824   9.7852   14.324   7.0914 7.500000 12.08461 
1 1 1   12   12  -23 o   65.078   4.1612  1233.26  156.325  1180.46  218.758  1288.36  223.470   63.649   5.9509   66.508   5.8179 -2.858444 8.322325 
1 1 1   12   13  -23 o   22.196   6.9740 -82.7279  178.975 -285.1725  309.903   18.584  219.231   21.542   10.064   22.850   9.6571 -1.307398 13.94806 
1 1 1   12   14  -23 o  143.837   2.3160  5834.83  155.439  6262.33  348.751  5728.85  173.639  146.915   4.1102  140.760   2.1359 6.154877 4.632060 
1 1 1   12   15  -23 o   70.277   3.8778  1470.69  149.727  1552.73  188.149  1329.02  247.247   73.114   4.4557   67.439   6.3479 5.674408 7.755616 
1 1 1   12   16  -23 o  164.537   2.0126  7785.80  187.608  8099.23  298.226  7580.53  241.346  167.222   3.0879  161.852   2.5819 5.370422 4.025106 
1 1 1   12   17  -23 o   17.472   8.6657 -1018.4350  171.610 -1109.4950  200.457 -768.5770  332.051  ?   ?    17.472   8.6657      ?      ? 
1 1 1   12   18  -23 o  119.235   2.8060  4201.90  182.754  3896.49  307.983  4367.87  227.047  115.713   4.6085  122.757   3.2025 -7.044106 5.611969 
1 1 1   12   19  -23 o  109.902   2.4668  3492.01  150.769  3457.77  188.802  3552.27  250.478  109.231   2.9928  110.573   3.9223 -1.341667 4.933647 
1 1 1   12   20  -23 o   61.399   4.0269  1109.43  140.534  1136.20  184.479  1072.41  216.932   62.368   5.1215   60.429   6.2157 1.938869 8.053881 
1 1 1   12   21  -23 o   79.329   3.4302  1839.49  156.602  2041.59  223.715  1645.31  219.287   83.645   4.6310   75.014   5.0616 8.631271 6.860432 
1 1 1   12   22  -23 o   67.541   4.0863  1294.04  148.960  1475.66  269.858  1214.46  178.641   70.639   6.6146   64.443   4.7998 6.196007 8.172606 
1 1 1   12   23  -23 o   78.389   3.5060  1676.20  137.425  2059.31  287.374  1562.61  156.477   83.528   5.9570   73.249   3.6988 10.27901 7.011928 
1 1 1   12   24  -23 o   14.177   4.9095 -347.3545  133.948 -288.8073  173.302 -434.2301  211.105   13.948   6.7809   14.406   7.1015 -0.4581394 9.819024 
1 1 1   12   25  -23 o   63.320   5.4201  1252.60  163.234  1287.40  186.368  1137.92  338.273   66.132   4.8795   60.508   9.6799 5.623917 10.84020 
1 1 1   12   26  -23 o   82.750   3.4004  2078.53  149.434  1863.82  262.383  2181.61  181.799   79.121   5.7420   86.380   3.6441 -7.259560 6.800728 
1 1 1   12   27  -23 o   21.274   6.5149 -76.5147  147.250  166.063  249.778 -205.7269  182.297   26.991   10.723   15.556   7.4029 11.43501 13.02989 
1 1 1   12   28  -23 o   15.491   5.1372 -163.9661  119.676 -63.6346  157.477 -301.1254  184.125   16.762   7.5850   14.221   6.9305 2.541290 10.27443 
1 1 1   12   29  -23 o   55.384   4.9699  867.542  144.031  766.055  167.343  1157.58  282.897   50.296   5.7608   60.472   8.1000 -10.17591 9.939725 
1 1 1   12   30  -23 o   70.819   2.7979  1477.44  113.765  1718.65  167.219  1269.58  155.225   76.241   3.7976   65.397   4.1098 10.84369 5.595744 
1 1 1   12   31  -23 o   38.989   5.5112  482.805  121.352  340.943  160.357  672.927  185.640   31.711   8.5575   46.267   6.9473 -14.55603 11.02248 
1 1 1   12   32  -23 o   68.336   4.7898  1499.85  182.264  1613.14  235.829  1331.79  287.223   72.487   5.6332   64.185   7.7482 8.302208 9.579523 
1 1 1   12   33  -23 o   39.754   6.8695  563.319  155.864  580.322  231.786  549.285  210.586   40.053   10.039   39.454   9.3794 0.5990753 13.73908 
1 1 1   12   34  -23 o   53.434   6.7656  911.376  208.792   0.0000   0.0000  911.376  208.792  ?   ?    53.434   6.7656      ?      ? 
1 1 1   12   35  -23 o   36.015   6.0284  451.878  117.929  443.823  143.594  468.568  206.694   36.534   7.0609   35.495   9.7729 1.038326 12.05681 
1 1 1   12   36  -23 o   33.757   5.7460  405.473  111.655  472.223  156.018  335.396  159.860   37.129   7.5333   30.385   8.6784 6.743578 11.49196 
1 1 1   12    0  -24 o   16.231   7.5359 -17.6390  166.436   60.099  186.538 -321.1339  368.574   16.352   10.086   16.111   11.200 -0.000000 0.000000 
1 1 1   12    1  -24 o  131.850   1.8408  5025.65  140.126  4946.10  194.978  5110.63  201.521  130.773   2.5816  132.927   2.6250 -2.153809 3.681688 
1 1 1   12    2  -24 o   92.442   2.6182  2474.95  138.878  2481.30  208.736  2469.91  186.027   92.532   3.9059   92.353   3.4877 0.1795654 5.236428 
1 1 1   12    3  -24 o  100.523   2.5168  2924.73  145.953  2888.25  201.129  2965.31  212.126   99.867   3.4871  101.178   3.6301 -1.311531 5.033678 
1 1 1   12    4  -24 o  167.900   1.8695  8187.79  173.947  8275.80  217.908  8033.21  288.799  169.189   2.2301  166.611   3.0013 2.577576 3.739095 
1 1 1   12    5  -24 o   88.130   3.3822  2269.60  170.827  2405.01  232.260  2110.04  252.133   91.047   4.4169   85.213   5.1232 5.834534 6.764364 
1 1 1   12    6  -24 o  142.082   2.2836  5943.63  152.809  6018.19  172.572  5672.85  328.849  144.287   2.0709  139.877   4.0707 4.410233 4.567148 
1 1 1   12    7  -24 o  110.054   2.2160  3517.17  139.482  3589.88  185.858  3423.41  211.049  111.381   2.8892  108.728   3.3609 2.652946 4.432086 
1 1 1   12    8  -24 o  113.883   2.6025  3761.14  170.709  3715.17  249.999  3801.30  233.665  113.215   3.8234  114.551   3.5319 -1.336098 5.205083 
1 1 1   12    9  -24 o   34.910   6.8753  372.539  143.431  389.827  191.547  350.474  216.403   35.682   9.2265   34.138   10.196 1.544193 13.75055 
1 1 1   12   10  -24 o   76.948   4.6056  1865.76  166.784  1491.30  341.132  1983.39  191.193   71.200   8.2958   82.696   4.0032 -11.49550 9.211153 
1 1 1   12   11  -24 o  132.134   2.9533  4984.56  212.449  4828.40  258.313  5311.00  373.475  129.089   3.4648  135.180   4.7837 -6.090729 5.906643 
1 1 1   12   12  -24 o   64.932   4.0864  1213.95  145.836  1180.18  179.298  1279.97  250.688   63.706   4.8732   66.158   6.5610 -2.451645 8.172768 
1 1 1   12   13  -24 o  160.342   1.8771  7423.03  167.597  7375.40  210.398  7505.72  277.230  159.685   2.2813  160.998   2.9815 -1.312759 3.754178 
1 1 1   12   14  -24 o   77.715   4.4753  1925.85  149.216  2017.66  165.644  1530.68  343.662   83.427   3.4378   72.003   8.2641 11.42405 8.950679 
1 1 1   12   15  -24 o   88.476   2.6184  2328.46  129.467  2551.15  168.491  2007.46  202.297   93.833   3.1091   83.119   4.2141 10.71416 5.236879 
1 1 1   12   16  -24 o   99.756   3.0338  2880.44  157.759  2863.22  186.337  2924.02  296.442   99.378   3.2465  100.134   5.1259 -0.7554245 6.067561 
1 1 1   12   17  -24 o  109.496   3.1297  3581.56  164.761  3660.03  188.083  3322.68  341.604  112.389   2.8976  106.602   5.5484 5.787010 6.259490 
1 1 1   12   18  -24 o   79.028   3.6611  1711.15  152.685  2108.90  292.694  1562.45  178.965   84.788   5.9771   73.267   4.2293 11.52114 7.322124 
1 1 1   12   19  -24 o  125.544   3.1780  4560.05  214.468  4696.21  383.140  4497.92  258.816  126.679   5.2368  124.410   3.6021 2.268837 6.356043 
1 1 1   12   20  -24 o   57.781   3.9919  978.955  132.860  883.563  183.922  1083.05  192.131   54.814   5.8098   60.748   5.4762 -5.934284 7.983898 
1 1 1   12   21  -24 o   52.146   5.1096  803.778  152.015  992.901  225.198  645.464  206.040   57.842   6.7412   46.450   7.6804 11.39162 10.21920 
1 1 1   12   22  -24 o   49.193   5.2321  726.803  147.525  740.654  198.160  709.581  220.960   49.840   6.8842   48.546   7.8809 1.293694 10.46429 
1 1 1   12   23  -24 o   19.199   6.4860 -262.1931  178.630 -231.2034  209.703 -344.1406  341.007   16.868   8.0015   21.529   10.210 -4.661793 12.97196 
1 1 1   12   24  -24 o   79.983   3.7230  1870.12  171.980   0.0000   0.0000  1870.12  171.980  ?   ?    79.983   3.7230      ?      ? 
1 1 1   12   25  -24 o   19.951   6.5119 -154.7140  168.177 -207.4451  212.033 -65.2712  276.148   17.217   8.1309   22.686   10.174 -5.468737 13.02378 
1 1 1   12   26  -24 o   16.173   5.7374 -576.4247  181.803 -497.4399  341.034 -607.7830  214.883   19.454   9.4703   12.892   6.4795 6.562500 11.47481 
1 1 1   12   27  -24 o   34.207   6.1381  418.123  134.123  554.800  166.181  162.738  227.160   42.530   6.7655   25.884   10.244 16.64653 12.27618 
1 1 1   12   28  -24 o   31.089   7.5410  329.622  153.642  207.720  340.553  360.775  172.159   29.365   12.197   32.814   8.8717 -3.449209 15.08194 
1 1 1   12   29  -24 o   19.295   6.5466 -217.2097  151.118 -263.9014  167.782 -16.5475  347.822   13.610   6.6293   24.979   11.291 -11.36895 13.09318 
1 1 1   12   30  -24 o   34.548   6.3771  425.386  126.731  464.046  155.264  348.219  219.362   37.697   7.3957   31.398   10.391 6.298494 12.75426 
1 1 1   12   31  -24 o   57.030   3.1670  943.989   98.323  881.608  118.872  1079.11  174.950   54.471   3.7786   59.589   5.0835 -5.118412 6.333974 
1 1 1   12   32  -24 o   51.568   4.7901  729.225  108.624  671.504  118.181  1043.44  275.737   47.274   4.3285   55.862   8.5465 -8.588116 9.580145 
1 1 1   12   33  -24 o   16.669   5.5748 -155.3612  141.332 -38.1415  163.851 -496.0690  279.344   17.147   7.7502   16.190   8.0153 0.9575329 11.14951 
1 1 1   12   34  -24 o   31.193   7.7114  381.474  167.129  313.603  329.522  404.980  193.922   29.345   12.075   33.041   9.5947 -3.696280 15.42287 
1 1 1   12   35  -24 o   22.601   6.8443   96.317  169.963 -224.1531  328.979  212.999  198.507   20.153   9.6850   25.049   9.6735 -4.895889 13.68855 
1 1 1   12    0  -25 o   61.506   7.9931  1210.41  255.122  1131.22  354.236  1295.75  367.735   59.029   11.692   63.983   10.902 -0.000000 0.000000 
1 1 1   12    1  -25 o   97.989   3.4606  2829.07  186.339  2660.07  311.342  2923.39  232.597   95.576   5.6403  100.402   4.0112 -4.825966 6.921165 
1 1 1   12    2  -25 o   53.386   5.2105  844.506  156.999  886.197  204.682  784.919  244.696   55.095   6.4325   51.676   8.1988 3.418915 10.42104 
1 1 1   12    3  -25 o   78.953   4.4586  1832.17  184.010  1850.22  218.678  1788.38  340.566   79.805   4.7445   78.101   7.5502 1.703133 8.917158 
1 1 1   12    4  -25 o  148.974   2.4877  6476.51  202.840  6578.57  250.819  6283.58  344.845  150.765   2.8805  147.183   4.0568 3.581436 4.975433 
1 1 1   12    5  -25 f  102.154   3.2854  3028.21  189.615  3016.03  243.847  3046.84  301.571  101.957   4.1411  102.351   5.1016 -0.3948212 6.570811 
1 1 1   12    6  -25 o   36.719   6.4815  393.553  136.914  290.794  176.417  549.179  217.107   31.103   9.1859   42.336   9.1465 -11.23269 12.96298 
1 1 1   12    7  -25 o  125.124   3.1333  4415.28  212.000  4190.10  255.071  4918.35  381.251  120.224   3.6735  130.024   5.0770 -9.799942 6.266608 
1 1 1   12    8  -25 o  167.992   2.3287  8181.55  211.244  8192.14  256.804  8159.39  371.490  168.256   2.6427  167.728   3.8349 0.5285492 4.657301 
1 1 1   12    9  -25 o   55.746   6.0053  901.151  190.933  820.997  247.448  1019.09  300.162   52.789   8.1163   58.703   8.8534 -5.914322 12.01067 
1 1 1   12   10  -25 o  105.772   3.6048  3258.97  199.277  3254.06  371.223  3260.96  236.194  105.530   6.0908  106.014   3.8576 -0.4842911 7.209631 
1 1 1   12   11  -25 o   57.192   5.6104  960.335  182.141  942.577  235.821  986.592  286.758   56.642   7.2087   57.742   8.5988 -1.099396 11.22071 
1 1 1   12   12  -25 f  101.806   3.6849  3122.97  196.807  3282.53  237.183  2770.25  352.633  106.339   3.8619   97.274   6.2769 9.065002 7.369768 
1 1 1   12   13  -25 o   29.641   7.8553  197.892  190.319   2.1906  310.523  315.635  240.860   26.352   11.326   32.931   10.888 -6.579527 15.71056 
1 1 1   12   14  -25 o  106.748   2.9556  3297.35  175.564  3254.28  219.881  3373.09  291.604  105.886   3.5955  107.609   4.6920 -1.722862 5.911238 
1 1 1   12   15  -25 o   49.958   6.9554  910.741  166.435  1051.58  192.332  490.853  332.095   59.952   5.5547   39.963   12.754 19.98973 13.91082 
1 1 1   12   16  -25 o   44.542   7.1325  616.919  171.714  628.518  296.387  611.058  210.674   44.497   11.463   44.587   8.4913 -0.8956146E-01 14.26506 
1 1 1   12   17  -25 o   46.593   6.7982  841.384  138.946  387.293  331.808  937.944  153.008   36.507   12.768   56.680   4.6741 -20.17295 13.59641 
1 1 1   12   18  -25 o  151.238   3.3342  6689.05  290.033  6714.87  393.276  6658.27  429.442  151.643   4.4904  150.832   4.9298 0.8116608 6.668339 
1 1 1   12   19  -25 f  ?   ?  -781.3150  178.130 -781.3150  178.130   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   12   20  -25 o   12.351   6.1096 -356.2202  160.976   0.0000   0.0000 -356.2202  160.976  ?   ?    12.351   6.1096      ?      ? 
1 1 1   12   21  -25 o   42.891   7.6838  607.556  181.118  556.465  330.661  629.455  216.482   41.030   12.675   44.753   8.6889 -3.723110 15.36756 
1 1 1   12   22  -25 o   15.681   5.2688 -208.0179  124.106 -251.7572  157.854 -137.2180  200.833   13.447   6.5221   17.914   8.2768 -4.467466 10.53769 
1 1 1   12   23  -25 o   58.882   3.7218  990.950  123.035  1190.09  205.224  879.212  153.725   63.221   5.6206   54.542   4.8801 8.678276 7.443537 
1 1 1   12   24  -25 o   77.391   4.4777  1887.35  170.201  1644.00  333.419  1973.11  197.932   72.924   7.9165   81.857   4.1867 -8.932709 8.955438 
1 1 1   12   25  -25 f   41.227   7.7578  542.336  177.939   0.0000   0.0000  542.336  177.939  ?   ?    41.227   7.7578      ?      ? 
1 1 1   12   26  -25 o   23.735   6.4866  146.204  119.220  168.031  138.538   83.901  234.062   23.690   8.2520   23.780   10.010 -0.8927345E-01 12.97315 
1 1 1   12   27  -25 o   54.314   4.7439  790.342  124.433  699.553  138.702  1164.72  281.658   48.253   4.9771   60.375   8.0775 -12.12203 9.487746 
1 1 1   12   28  -25 f   22.027   6.3342  101.770  126.269  102.458  182.943  101.144  174.499   22.194   9.0489   21.859   8.8658 0.3347187 12.66831 
1 1 1   12   29  -25 o   57.307   3.8817  982.300  123.208  1081.69  209.545  929.782  152.319   59.075   6.1417   55.538   4.7487 3.536495 7.763443 
1 1 1   12   30  -25 o   74.150   3.8048  1683.17  153.545  1679.83  264.303  1684.87  188.643   73.374   6.2370   74.925   4.3594 -1.551399 7.609503 
1 1 1   12   31  -25 o   22.061   5.9112  116.213  104.481   44.816  133.687  228.261  167.475   18.044   7.5791   26.077   9.0736 -8.032259 11.82250 
1 1 1   12   32  -25 o   38.305   5.8611  505.143  125.748  487.661  172.751  524.847  183.395   37.666   8.1759   38.945   8.4005 -1.279343 11.72229 
1 1 1   12   33  -25 o   25.155   6.0460  201.766   96.611  176.021  113.538  269.319  183.916   22.966   7.4697   27.344   9.5089 -4.378574 12.09195 
1 1 1   12   34  -25 o   42.282   6.4715  668.040  135.205  683.928  154.802  616.938  277.631   46.446   5.7709   38.118   11.585 8.327641 12.94308 
1 1 1   12    0  -26 o  257.884   2.4049 19283.08  354.690 18993.79  537.574 19506.10  472.011  256.125   3.6358  259.644   3.1487 -0.000000 0.000000 
1 1 1   12    1  -26 o   85.218   2.8349  2104.28  139.046  1872.28  192.610  2356.78  200.935   80.305   4.1529   90.131   3.8601 -9.826065 5.669795 
1 1 1   12    2  -26 o  120.553   2.1628  4238.10  146.999  4069.87  232.327  4350.41  189.828  118.503   3.3946  122.602   2.6809 -4.099213 4.325531 
1 1 1   12    3  -26 f  175.780   2.3050  8937.63  234.004  8937.63  234.004   0.0000   0.0000  175.780   2.3050  ?   ?       ?      ? 
1 1 1   12    4  -26 o  110.652   2.8838  3597.32  166.523  3453.69  307.985  3656.66  197.952  108.943   4.8949  112.361   3.0504 -3.418427 5.767605 
1 1 1   12    5  -26 o   41.509   6.5600  533.755  157.313  390.257  230.950  657.963  214.867   35.762   10.495   47.256   7.8727 -11.49413 13.12002 
1 1 1   12    6  -26 o   82.258   4.8309  1969.25  229.504  1969.25  229.504   0.0000   0.0000   82.258   4.8309  ?   ?       ?      ? 
1 1 1   12    7  -26 o  114.389   3.0196  3790.42  199.491  3790.42  199.491   0.0000   0.0000  114.389   3.0196  ?   ?       ?      ? 
1 1 1   12    8  -26 o  130.663   2.8631  4909.35  190.688  4854.23  221.877  5065.10  372.984  129.450   2.9677  131.876   4.8971 -2.426575 5.726162 
1 1 1   12    9  -26 o   24.375   6.6799   74.889  147.727  235.553  201.588 -111.4672  217.109   29.091   9.9638   19.659   8.9000 9.432619 13.35990 
1 1 1   12   10  -26 o   64.319   5.3950  1287.61  153.387  1328.83  170.913  1116.97  347.727   67.585   4.3787   61.053   9.8616 6.531792 10.78997 
1 1 1   12   11  -26 o  154.136   2.5823  6991.04  208.267  7123.74  248.191  6675.17  382.902  156.824   2.7402  151.447   4.3776 5.376358 5.164559 
1 1 1   12   12  -26 o  126.752   2.5401  4652.35  185.945  4652.35  185.945   0.0000   0.0000  126.752   2.5401  ?   ?       ?      ? 
1 1 1   12   13  -26 o   24.039   6.6121   35.302  132.624 -74.4523  160.797  268.827  234.549   17.130   7.7161   30.948   10.740 -13.81775 13.22413 
1 1 1   12   14  -26 o  110.790   3.0926  3459.56  175.003  3331.44  202.710  3834.52  346.779  107.124   3.2764  114.455   5.2460 -7.331520 6.185144 
1 1 1   12   15  -26 o   63.540   4.3120  1223.71  150.741  1323.38  191.460  1061.17  244.496   67.259   4.9288   59.821   7.0767 7.437889 8.623974 
1 1 1   12   16  -26 o   17.316   6.0716 -723.9252  228.817 -675.9659  332.227 -767.2057  315.605   18.028   8.8911   16.605   8.2707 1.423414 12.14318 
1 1 1   12   17  -26 f  117.066   3.1633  4056.67  192.156  3895.53  358.309  4121.72  227.664  115.080   5.3910  119.053   3.3111 -3.973534 6.326653 
1 1 1   12   18  -26 o   57.281   5.4915  967.661  181.670  967.661  181.670   0.0000   0.0000   57.281   5.4915  ?   ?       ?      ? 
1 1 1   12   19  -26 o   74.365   3.6824  1613.88  158.153  1613.88  158.153   0.0000   0.0000   74.365   3.6824  ?   ?       ?      ? 
1 1 1   12   20  -26 o   19.634   6.5926 -385.5955  184.192 -29.1701  323.758 -556.1673  223.970   25.400   11.225   13.869   6.9174 11.53130 13.18529 
1 1 1   12   21  -26 o   28.668   6.7852  243.313  131.535  312.446  203.503  193.706  172.384   31.341   9.9817   25.994   9.1936 5.347095 13.57042 
1 1 1   12   22  -26 o   21.268   6.6325 -59.4076  168.999 -295.5402  270.903   91.036  216.234   18.790   8.9644   23.746   9.7776 -4.956127 13.26504 
1 1 1   12   23  -26 o   47.033   7.5059  750.682  179.898  762.498  207.418  714.805  361.422   49.784   7.2139   44.282   13.165 5.502293 15.01182 
1 1 1   12   24  -26 o   45.639   8.0471  658.648  198.657  986.745  366.758  522.418  236.328   52.309   12.340   38.970   10.332 13.33925 16.09428 
1 1 1   12   25  -26 f   13.580   4.8760 -509.4857  143.626 -443.5152  162.594 -743.7796  306.415   11.357   5.6980   15.804   7.9141 -4.447635 9.751911 
1 1 1   12   26  -26 o   85.711   2.7937  2214.92  132.894  2325.18  168.956  2036.03  215.209   88.901   3.2906   82.521   4.5156 6.380280 5.587354 
1 1 1   12   27  -26 o   14.345   4.9874 -355.3441  143.256 -301.1363  188.064 -430.2782  221.113   14.210   6.9423   14.481   7.1624 -0.2709503 9.974726 
1 1 1   12   28  -26 o   16.383   5.4380 -141.0960  119.527 -190.9606  145.260 -36.5432  210.338   13.230   6.3775   19.537   8.8101 -6.306538 10.87609 
1 1 1   12   29  -26 o   14.751   4.9819 -153.0430  107.207 -164.7072  128.972 -126.9631  192.851   12.583   6.0514   16.919   7.9156 -4.335969 9.963797 
1 1 1   12   30  -26 o   34.633   6.5544  479.887  135.873  544.379  152.536  232.147  298.963   41.544   6.3574   27.723   11.464 13.82120 13.10873 
1 1 1   12   31  -26 o   27.687   5.7885  264.794  103.034  177.208  145.895  351.942  145.529   23.424   8.4392   31.950   7.9251 -8.525629 11.57704 
1 1 1   12   32  -26 o   46.226   4.8817  657.195  130.330  657.195  130.330   0.0000   0.0000   46.226   4.8817  ?   ?       ?      ? 
1 1 1   12   33  -26 o   24.942   6.6241  179.898  130.346   73.840  163.722  363.490  215.408   19.676   8.3322   30.209   10.300 -10.53288 13.24817 
1 1 1   12    0  -27 o  129.354   3.2046  4839.41  236.896  4649.81  313.483  5091.83  361.712  126.454   4.3036  132.253   4.7495 -0.000000 0.000000 
1 1 1   12    1  -27 o  173.470   2.4643  8843.10  232.986  8378.97  396.884  9087.15  287.794  169.813   4.0468  177.127   2.8133 -7.313614 4.928561 
1 1 1   12    2  -27 o   67.836   5.0393  1311.52  171.080  1442.84  348.655  1269.87  196.341   69.693   8.6621   65.979   5.1525 3.713654 10.07868 
1 1 1   12    3  -27 o  103.431   2.8509  3105.22  170.044  3168.87  248.374  3049.08  233.290  104.413   4.1188  102.448   3.9428 1.964638 5.701752 
1 1 1   12    4  -27 o  105.981   2.5588  3227.75  145.230  3174.80  174.546  3346.90  261.812  104.682   2.8871  107.282   4.2255 -2.599976 5.117620 
1 1 1   12    5  -27 o   91.222   2.7312  2393.26  139.148  2325.61  174.569  2511.14  230.433   89.536   3.3759   92.908   4.2944 -3.371971 5.462471 
1 1 1   12    6  -27 o  112.049   3.3698  3686.51  198.376  3725.88  236.610  3593.36  363.968  113.284   3.6164  110.813   5.6870 2.470276 6.739508 
1 1 1   12    7  -27 o   22.297   6.8219 -43.1581  171.195  115.786  198.010 -513.6825  340.688   24.566   9.6127   20.028   9.6823 4.537836 13.64372 
1 1 1   12    8  -27 o   47.902   7.0687  711.454  187.320  737.476  289.324  692.674  245.789   48.478   10.627   47.325   9.3242 1.152874 14.13748 
1 1 1   12    9  -27 o   65.776   4.4732  1273.62  169.779  1233.59  242.560  1312.06  237.721   64.731   6.4881   66.821   6.1598 -2.090233 8.946455 
1 1 1   12   10  -27 o   71.422   4.1948  1485.68  173.034  1485.68  173.034   0.0000   0.0000   71.422   4.1948  ?   ?       ?      ? 
1 1 1   12   11  -27 o   43.041   5.1970  568.793  116.198  586.241  141.091  532.011  204.854   44.713   5.4636   41.369   8.8421 3.343964 10.39393 
1 1 1   12   12  -27 o   65.962   4.0095  1279.44  151.952  1286.57  205.119  1270.76  226.212   66.226   5.3628   65.697   5.9619 0.5287933 8.018964 
1 1 1   12   13  -27 o   92.785   2.8250  2514.50  138.983  2522.37  166.556  2496.44  252.202   93.197   3.0944   92.372   4.7274 0.8256073 5.650085 
1 1 1   12   14  -27 f  112.227   2.8139  3675.15  161.028  3676.96  187.995  3670.16  312.035  112.542   2.8923  111.911   4.8277 0.6310043 5.627829 
1 1 1   12   15  -27 o   67.926   5.1162  1407.53  151.225  1423.14  166.944  1336.14  356.982   69.791   4.1418   66.061   9.3566 3.729858 10.23231 
1 1 1   12   16  -27 o   64.095   3.6500  1198.27  122.246  1182.47  144.479  1238.10  229.359   63.622   3.9320   64.568   6.1505 -0.9455490 7.299962 
1 1 1   12   17  -27 o  ?   ?  -1028.6450  173.658 -978.3444  219.132 -1113.5699  284.734  ?   ?   ?   ?       ?      ? 
1 1 1   12   18  -27 o   25.048   6.9877  126.441  144.404   97.040  180.991  177.938  239.533   22.765   9.1005   27.330   10.606 -4.565203 13.97536 
1 1 1   12   19  -27 o   44.053   7.6858  623.122  184.645  729.763  327.114  573.256  223.688   46.114   12.122   41.992   9.4514 4.121494 15.37152 
1 1 1   12   20  -27 o   49.855   5.4450  764.025  156.594  814.434  227.289  718.476  216.053   51.437   7.6510   48.273   7.7495 3.163780 10.89003 
1 1 1   12   21  -27 o   18.474   6.4098 -589.4913  236.810 -377.6928  327.560 -821.3975  342.756   20.066   9.6484   16.881   8.4411 3.184309 12.81969 
1 1 1   12   22  -27 o   57.112   4.0734  1013.46  118.179  1048.82  139.334  922.808  223.095   59.583   4.0490   54.642   7.0693 4.941135 8.146792 
1 1 1   12   23  -27 o   30.658   6.5303  314.441  123.933  312.931  161.077  316.632  194.019   30.649   8.6966   30.667   9.7441 -0.1799583E-01 13.06062 
1 1 1   12   24  -27 o   54.404   4.0972  906.141  128.164  816.710  181.877  994.352  180.631   51.567   6.1069   57.242   5.4638 -5.674839 8.194392 
1 1 1   12   25  -27 o   80.233   3.2138  1937.64  147.257  1988.99  195.995  1871.07  223.141   81.702   4.1536   78.765   4.9053 2.937210 6.427605 
1 1 1   12   26  -27 o   13.099   6.3439 -210.6714  147.916   0.0000   0.0000 -210.6714  147.916  ?   ?    13.099   6.3439      ?      ? 
1 1 1   12   27  -27 o   30.534   6.4886  337.704  129.628  415.989  165.314  212.725  208.877   34.938   8.3132   26.130   9.9649 8.808224 12.97729 
1 1 1   12   28  -27 o   28.419   7.2178  281.917  155.248  351.368  205.628  189.849  236.755   31.105   10.047   25.733   10.365 5.372480 14.43553 
1 1 1   12   29  -27 o   20.534   6.5556 -26.3614  152.061   86.444  273.713 -76.7191  182.879   23.837   10.435   17.230   7.9385 6.607431 13.11114 
1 1 1   12   30  -27 o   21.178   6.4804   58.043  147.064  -0.7375  207.093  117.842  208.879   19.704   8.8254   22.651   9.4918 -2.947124 12.96080 
1 1 1   12   31  -27 o   36.811   7.8561  431.348  146.004  349.772  160.163  832.497  355.165   31.049   8.6238   42.573   13.134 -11.52365 15.71224 
1 1 1   12   32  -27 o   27.766   7.2917  307.840  169.730  409.395  208.157  106.361  293.193   31.961   10.086   23.570   10.533 8.391462 14.58333 
1 1 1   12    0  -28 o   93.636   4.4871  2561.33  241.387   0.0000   0.0000  2561.33  241.387   93.636   4.4871   93.636   4.4871 -0.000000 0.000000 
1 1 1   12    1  -28 o   54.298   5.2508  875.283  164.111  791.680  231.345  959.969  232.838   51.619   7.7600   56.977   7.0757 -5.357265 10.50163 
1 1 1   12    2  -28 o   50.422   4.6000  748.698  133.911  771.744  192.218  726.965  186.661   51.175   6.5035   49.668   6.5072 1.507416 9.199944 
1 1 1   12    3  -28 o   47.545   7.3706  748.211  194.104  869.680  242.250  530.370  324.413   54.086   7.7552   41.004   12.536 13.08190 14.74128 
1 1 1   12    4  -28 o   20.872   6.6566 -72.8363  158.155   4.1967  181.716 -313.4533  321.157   20.346   8.7020   21.399   10.076 -1.052956 13.31320 
1 1 1   12    5  -28 o   94.582   3.1875  2609.94  174.096  2667.69  247.536  2553.40  244.901   95.623   4.4822   93.541   4.5332 2.081680 6.374925 
1 1 1   12    6  -28 o   16.934   5.7865 -293.7358  143.559 -216.7700  274.817 -322.6204  168.356   20.608   9.5771   13.260   6.4973 7.348171 11.57309 
1 1 1   12    7  -28 o  121.045   1.9910  4283.59  136.667  4056.50  211.381  4446.70  179.146  118.212   3.0961  123.879   2.5039 -5.666946 3.981934 
1 1 1   12    8  -28 o   81.246   4.1556  1945.27  162.856  1940.36  341.661  1946.71  185.256   80.744   7.3265   81.747   3.9239 -1.003006 8.311110 
1 1 1   12    9  -28 o   71.596   3.4960  1497.36  143.335  1536.18  218.497  1468.03  189.909   72.347   5.2293   70.845   4.6414 1.501831 6.992016 
1 1 1   12   10  -28 o   88.604   3.3063  2296.82  169.010  2328.47  245.433  2268.28  233.076   89.160   4.7662   88.047   4.5835 1.113205 6.612533 
1 1 1   12   11  -28 o  101.281   3.4973  2832.95  173.720  2685.98  196.611  3356.17  370.966   96.041   3.5446  106.520   6.0300 -10.47876 6.994644 
1 1 1   12   12  -28 o   36.511   6.2089  407.653  152.993  722.771  214.299   80.085  218.491   49.039   7.5665   23.983   9.8463 25.05582 12.41780 
1 1 1   12   13  -28 o   83.529   3.0090  1990.96  141.208  1834.77  177.262  2262.20  233.596   79.257   3.8725   87.800   4.6066 -8.543015 6.018081 
1 1 1   12   14  -28 o   60.496   3.8225  1076.17  127.300  1062.15  157.432  1102.65  216.366   60.141   4.5325   60.851   6.1565 -0.7097511 7.644970 
1 1 1   12   15  -28 o   77.437   4.3687  1798.46  191.115  1830.68  247.489  1750.88  300.800   78.583   5.4531   76.292   6.8267 2.290520 8.737316 
1 1 1   12   16  -28 o   26.850   6.4855  199.064  127.562   86.331  178.396  317.007  182.472   22.248   8.9850   31.451   9.3551 -9.202877 12.97106 
1 1 1   12   17  -28 o   57.562   5.8859  983.911  182.116  911.566  217.554  1153.32  332.913   54.813   6.8723   60.311   9.5577 -5.497700 11.77188 
1 1 1   12   18  -28 o   76.676   3.4726  1714.25  144.891  1652.91  176.102  1842.78  254.917   74.925   4.0696   78.426   5.6280 -3.500916 6.945208 
1 1 1   12   19  -28 f   16.949   8.5005 -959.0049  174.044 -974.9222  198.822 -906.8154  360.015  ?   ?    16.949   8.5005      ?      ? 
1 1 1   12   20  -28 o   59.399   4.5278  1069.46  147.351  1048.92  181.304  1109.42  252.903   59.081   5.3134   59.716   7.3329 -0.6350479 9.055614 
1 1 1   12   21  -28 o   69.500   5.3274  1652.71  161.182  1748.79  181.111  1286.79  353.442   76.819   4.0822   62.182   9.8417 14.63750 10.65474 
1 1 1   12   22  -28 o   56.985   4.6391  1027.19  145.914  922.075  236.006  1092.23  185.648   53.923   7.5782   60.048   5.3531 -6.124638 9.278197 
1 1 1   12   23  -28 o   97.764   2.8470  2880.99  157.827  3107.58  210.028  2587.05  239.211  102.559   3.5459   92.970   4.4551 9.588478 5.693905 
1 1 1   12   24  -28 o   47.078   5.7680  721.315  152.376  610.865  204.335  859.680  228.703   42.481   8.6230   51.674   7.6632 -9.193203 11.53607 
1 1 1   12   25  -28 o   12.274   4.3723 -573.0634  142.292 -476.1534  199.181 -674.0705  203.348   12.914   6.4537   11.634   5.9006 1.279224 8.744560 
1 1 1   12   26  -28 o   49.037   5.8791  803.162  161.097  664.878  221.984  957.025  234.154   43.698   9.0917   54.375   7.4562 -10.67676 11.75815 
1 1 1   12   27  -28 o   22.559   6.3869  131.977  126.306  116.375  175.448  148.762  181.977   21.935   8.8922   23.183   9.1705 -1.248314 12.77374 
1 1 1   12   28  -28 o   27.146   6.9826  261.473  142.551  295.659  178.468  201.223  236.929   28.632   9.3677   25.659   10.357 2.973152 13.96528 
1 1 1   12   29  -28 o   39.573   5.7333  536.427  129.126  724.030  191.147  378.951  175.127   46.992   7.0431   32.154   9.0486 14.83724 11.46656 
1 1 1   12   30  -28 o   52.033   4.1920  815.538  121.346  690.632  149.114  1060.44  208.797   46.807   5.5160   57.259   6.3138 -10.45262 8.383949 
1 1 1   12    0  -29 o   12.565   6.4381 -653.5344  243.129 -555.0734  362.276 -734.2225  327.953   13.652   9.7856   11.478   8.3689 -0.000000 0.000000 
1 1 1   12    1  -29 o   49.370   5.0093  694.679  138.963  598.010  173.657  866.792  231.716   44.881   6.6996   53.860   7.4491 -8.979149 10.01867 
1 1 1   12    2  -29 o   56.398   4.7758  953.189  154.027  860.796  226.564  1032.59  210.028   53.700   7.3052   59.095   6.1537 -5.395325 9.551642 
1 1 1   12    3  -29 o   73.999   3.0888  1619.65  128.780  1697.59  167.268  1506.21  201.798   76.321   3.7948   71.678   4.8747 4.643349 6.177620 
1 1 1   12    4  -29 o   96.166   2.7687  2723.24  151.429  2527.63  230.367  2872.07  200.941   93.000   4.2890   99.331   3.5027 -6.331131 5.537484 
1 1 1   12    5  -29 o   76.973   3.4874  1751.76  153.823  1576.36  223.816  1908.76  211.760   73.200   5.2941   80.746   4.5409 -7.545616 6.974761 
1 1 1   12    6  -29 o   18.196   6.2942 -442.9603  167.003 -161.8942  336.570 -534.7621  192.352   23.952   10.936   12.440   6.2353 11.51192 12.58850 
1 1 1   12    7  -29 o   31.404   7.1780  301.695  147.921  316.519  219.747  289.413  200.026   32.062   10.389   30.745   9.9071 1.317745 14.35590 
1 1 1   12    8  -29 o  156.521   2.1251  7118.30  192.028  7407.27  274.881  6842.86  268.373  159.630   2.9816  153.412   3.0290 6.218262 4.250228 
1 1 1   12    9  -29 f   61.553   4.6848  1158.22  156.257  1217.39  193.657  1047.83  264.519   64.247   5.2191   58.859   7.7815 5.388741 9.369607 
1 1 1   12   10  -29 o   15.431   5.3960 -533.3076  177.431 -473.7051  243.005 -601.3666  259.673   15.610   7.6800   15.253   7.5817 0.3570032 10.79191 
1 1 1   12   11  -29 o   27.360   8.9361  227.296  162.426   0.0000   0.0000  227.296  162.426  ?   ?    27.360   8.9361      ?      ? 
1 1 1   12   12  -29 o   73.164   4.6413  1666.01  172.611  1476.49  323.378  1741.53  204.123   69.425   8.0651   76.902   4.5959 -7.477798 9.282677 
1 1 1   12   13  -29 o   47.792   5.8357  726.021  154.290  620.952  229.780  812.290  208.209   43.791   9.3687   51.793   6.9606 -8.002083 11.67138 
1 1 1   12   14  -29 o   73.675   4.0732  1617.66  172.536  1562.22  231.682  1686.70  258.525   72.357   5.5441   74.992   5.9690 -2.635597 8.146494 
1 1 1   12   15  -29 o   32.231   6.8441  345.676  158.209  524.919  202.541   65.148  253.385   40.112   8.9679   24.349   10.341 15.76369 13.68818 
1 1 1   12   16  -29 o   15.255   5.0992 -155.6837  115.617 -107.0177  143.561 -245.5058  195.036   14.925   6.9313   15.585   7.4810 -0.6602707 10.19842 
1 1 1   12   17  -29 o   28.335   7.1361  248.985  146.423  251.267  221.172  247.205  195.366   28.596   10.377   28.073   9.7982 0.5224380 14.27217 
1 1 1   12   18  -29 o   21.330   7.0128 -179.7556  164.162 -258.0607  184.730  114.318  357.989   14.737   7.1255   27.922   12.081 -13.18515 14.02564 
1 1 1   12   19  -29 o   48.641   6.4135  915.989  139.893  1021.91  159.157  556.167  293.348   58.439   4.7156   38.843   11.929 19.59620 12.82697 
1 1 1   12   20  -29 o   41.733   6.3597  581.330  143.343  562.305  177.669  616.806  242.613   41.551   7.6868   41.914   10.134 -0.3634911 12.71933 
1 1 1   12   21  -29 o   42.763   4.8920  556.336  110.587  511.254  133.145  656.613  198.577   40.884   5.6388   44.642   7.9956 -3.758038 9.783949 
1 1 1   12   22  -29 o   78.706   4.1986  1899.31  173.499  1880.68  206.476  1944.06  320.025   79.129   4.5180   78.284   7.0782 0.8445282 8.397257 
1 1 1   12   23  -29 o   24.574   6.6601  171.622  137.457   73.456  206.792  249.331  183.987   21.929   9.3285   27.220   9.5081 -5.291330 13.32015 
1 1 1   12   24  -29 o   39.995   7.5071  559.742  166.428  492.156  200.121  711.319  299.696   37.275   9.3205   42.714   11.771 -5.439495 15.01425 
1 1 1   12   25  -29 o   50.062   5.9805  855.581  164.616  890.444  215.245  806.458  255.499   52.577   7.0884   47.547   9.6344 5.030811 11.96105 
1 1 1   12   26  -29 o   23.703   6.5870  146.200  140.456   13.674  204.315  264.949  193.404   20.020   8.8788   27.387   9.7324 -7.366795 13.17396 
1 1 1   12   27  -29 o   34.552   6.7512  422.487  132.260  376.706  160.136  520.738  234.595   32.558   8.4447   36.547   10.536 -3.989162 13.50249 
1 1 1   12   28  -29 o   30.491   6.6749  357.740  137.561  226.473  205.973  463.432  184.822   25.517   9.8539   35.465   9.0065 -9.947462 13.34980 
1 1 1   12    0  -30 o   30.615   9.8934  405.073  185.605  486.785  304.390  356.711  234.177   32.923   14.882   28.306   13.040 -0.000000 0.000000 
1 1 1   12    1  -30 o   83.468   3.1294  2018.59  146.164  1943.71  183.623  2148.08  241.477   81.531   3.8996   85.405   4.8956 -3.873940 6.258897 
1 1 1   12    2  -30 f   77.772   2.8469  1757.23  124.985  1710.39  159.680  1831.31  200.820   76.545   3.6120   78.999   4.4015 -2.453575 5.693829 
1 1 1   12    3  -30 o   15.913   5.4723 -370.5511  160.676 -457.3659  238.703 -298.6284  217.268   15.548   7.6422   16.278   7.8348 -0.7301617 10.94469 
1 1 1   12    4  -30 o  125.165   3.1724  4532.09  216.156  4396.18  263.025  4814.85  379.376  122.656   3.7130  127.674   5.1450 -5.018066 6.344844 
1 1 1   12    5  -30 o   27.356   7.4046  185.363  162.188  188.888  213.103  180.510  250.033   26.971   10.115   27.741   10.817 -0.7700806 14.80921 
1 1 1   12    6  -30 o   73.942   3.9352  1624.73  167.869  1594.31  241.603  1653.12  233.414   73.217   5.7135   74.667   5.4127 -1.449379 7.870307 
1 1 1   12    7  -30 o   50.047   6.1575  780.020  167.350  806.938  276.842  764.520  210.078   49.875   9.9596   50.219   7.2431 -0.3443794 12.31493 
1 1 1   12    8  -30 o   18.618   6.1281 -166.7150  159.658 -211.0336  241.390 -132.2495  212.871   18.677   8.7754   18.560   8.5561 0.1171913 12.25619 
1 1 1   12    9  -30 o   29.409   6.4718  272.240  122.316  230.419  169.871  317.270  176.268   27.437   9.1472   31.380   9.1577 -3.943245 12.94351 
1 1 1   12   10  -30 f   33.788   6.5356  371.718  131.829  323.608  184.067  422.384  188.894   31.591   9.3958   35.985   9.0870 -4.394226 13.07111 
1 1 1   12   11  -30 o   75.572   2.9847  1685.97  127.147  1695.48  163.337  1671.35  202.551   76.014   3.7205   75.130   4.6680 0.8842468 5.969333 
1 1 1   12   12  -30 o   38.671   6.9221  493.994  156.895  634.411  230.953  373.655  213.804   43.869   9.3985   33.473   10.165 10.39528 13.84426 
1 1 1   12   13  -30 o   22.056   6.8875  -1.2759  167.015 -175.8216  312.311   68.633  197.651   21.940   10.201   22.172   9.2573 -0.2320175 13.77500 
1 1 1   12   14  -30 o   71.974   3.1321  1535.42  130.078  1448.57  180.691  1628.84  187.407   69.842   4.4796   74.106   4.3787 -4.264030 6.264200 
1 1 1   12   15  -30 o   48.372   7.7388  794.145  205.288  932.538  340.715  715.270  257.219   50.975   11.805   45.770   10.009 5.204666 15.47752 
1 1 1   12   16  -30 o   31.572   7.7704  341.000  161.905  365.693  181.910  246.892  355.127   32.824   9.2170   30.320   12.513 2.504169 15.54084 
1 1 1   12   17  -30 o   28.663   6.9215  274.828  150.533  385.959  187.313   72.168  252.949   33.526   9.3313   23.800   10.225 9.726166 13.84309 
1 1 1   12   18  -30 o   27.492   7.2301  244.285  140.247  279.838  152.389   47.462  358.552   28.843   8.5424   26.141   11.667 2.702164 14.46012 
1 1 1   12   19  -30 o   20.431   6.8339 -200.9311  141.368 -267.4773  153.528  169.921  362.433   12.656   6.2021   28.206   12.180 -15.54998 13.66778 
1 1 1   12   20  -30 o   31.333   6.8336  348.552  134.365  320.544  224.453  364.195  167.743   30.162   10.504   32.504   8.7443 -2.341797 13.66714 
1 1 1   12   21  -30 o   15.554   5.4215 -354.0564  158.925 -292.0564  189.572 -500.6748  291.523   14.325   6.9923   16.784   8.2872 -2.459483 10.84294 
1 1 1   12   22  -30 o   34.585   7.9305  448.162  174.805  429.790  213.588  485.433  304.213   34.243   10.106   34.928   12.225 -0.6851196 15.86096 
1 1 1   12   23  -30 o   22.377   5.6191  120.888  111.723  282.361  145.587 -110.4229  174.249   28.570   8.3184   16.185   7.5564 12.38457 11.23810 
1 1 1   12   24  -30 o   44.460   4.5602  625.026  113.051  612.919  142.353  645.700  186.029   44.417   5.5493   44.502   7.2379 -0.8546829E-01 9.120386 
1 1 1   12   25  -30 o   29.533   7.5452  333.966  165.801  361.154  216.684  295.562  257.528   30.707   10.331   28.359   11.000 2.347673 15.09046 
1 1 1   12   26  -30 o   57.292   4.5257  1047.52  145.106  1010.75  183.044  1109.70  238.049   56.668   5.5928   57.916   7.1167 -1.247639 9.051371 
1 1 1   12   27  -30 o   15.500   5.3290 -249.3088  119.661 -339.4251  139.111   7.0712  234.640   10.685   5.3480   20.314   9.2191 -9.629180 10.65796 
1 1 1   12    0  -31 o   56.439   5.7133  1000.24  168.175  1016.40  274.828  990.577  212.634   56.121   9.2294   56.756   6.7369 -0.000000 0.000000 
1 1 1   12    1  -31 f   67.582   3.3174  1355.55  127.874  1381.18  169.127  1321.36  195.382   68.466   4.2771   66.698   5.0721 1.768372 6.634743 
1 1 1   12    2  -31 o   47.107   5.7394  700.309  144.020  707.778  178.308  686.292  244.269   48.417   6.3766   45.797   9.5447 2.619846 11.47875 
1 1 1   12    3  -31 o   62.254   3.8689  1134.66  137.566  1008.19  179.048  1316.89  214.926   58.155   5.3309   66.354   5.6084 -8.198895 7.737726 
1 1 1   12    4  -31 o   27.922   7.4246  200.923  168.998  318.641  237.117   79.390  240.928   31.569   10.806   24.276   10.184 7.292883 14.84911 
1 1 1   12    5  -31 o   94.494   3.2451  2610.76  177.100  2610.76  177.100   0.0000   0.0000   94.494   3.2451  ?   ?       ?      ? 
1 1 1   12    6  -31 o   26.813   7.0871  178.983  155.511   48.027  219.461  311.056  220.395   22.590   9.6099   31.036   10.419 -8.445873 14.17428 
1 1 1   12    7  -31 o   22.358   8.9886   98.650  177.661   0.0000   0.0000   98.650  177.661  ?   ?    22.358   8.9886      ?      ? 
1 1 1   12    8  -31 o   76.499   3.4245  1756.99  148.893  1839.93  197.010  1646.52  227.374   78.854   4.3259   74.144   5.3098 4.710686 6.848931 
1 1 1   12    9  -31 o   71.228   4.6629  1560.10  188.196  1509.32  292.535  1595.95  245.817   69.811   7.2555   72.645   5.8589 -2.834099 9.325719 
1 1 1   12   10  -31 o   37.412   8.7083  477.226  204.132  433.491  242.773  582.758  377.122   35.340   10.852   39.483   13.623 -4.142624 17.41657 
1 1 1   12   11  -31 o   48.245   6.1194  790.738  159.580  587.934  244.848  940.499  210.407   41.204   10.313   55.286   6.5897 -14.08189 12.23876 
1 1 1   12   12  -31 o   37.218   7.8551  478.569  164.807  507.527  344.108  469.949  187.739   36.978   12.998   37.458   8.8235 -0.4799004 15.71019 
1 1 1   12   13  -31 o   66.402   4.2670  1375.93  155.535  1446.22  195.686  1255.34  256.297   69.405   4.8819   63.398   6.9997 6.006744 8.533990 
1 1 1   12   14  -31 o   43.826   7.0952  712.620  168.124  533.880  312.716  785.287  199.392   37.539   12.406   50.112   6.8893 -12.57296 14.19047 
1 1 1   12   15  -31 o   21.011   6.2128   35.513  130.432 -70.1695  174.126  170.619  196.879   17.241   7.8695   24.782   9.6161 -7.540689 12.42569 
1 1 1   12   16  -31 o   16.611   5.4439 -89.9272  119.859 -184.3443  211.849 -45.4746  145.362   17.029   8.0677   16.194   7.3113 0.8354206 10.88777 
1 1 1   12   17  -31 o   35.948   7.4141  469.307  161.414  461.827  207.764  480.697  256.371   36.044   9.7464   35.852   11.175 0.1916733 14.82819 
1 1 1   12   18  -31 o   25.374   6.7386  194.986  136.074  132.628  193.479  256.019  191.412   23.216   9.3636   27.533   9.6931 -4.317331 13.47715 
1 1 1   12   19  -31 o   21.381   6.9014 -18.2311  168.640 -88.8003  343.262   4.2209  193.618   23.128   10.733   19.635   8.6787 3.493196 13.80276 
1 1 1   12   20  -31 o   45.286   5.5670  658.453  140.480  547.772  180.582  828.098  223.568   40.250   8.0494   50.322   7.6925 -10.07153 11.13408 
1 1 1   12   21  -31 o   16.748   5.3633 -106.5222  115.264   74.533  177.742 -237.9212  151.419   20.688   8.7169   12.807   6.2510 7.881226 10.72654 
1 1 1   12   22  -31 o   22.469   6.3611  132.735  129.441  195.919  161.210   18.087  217.156   24.388   8.8582   20.549   9.1316 3.838467 12.72221 
1 1 1   12   23  -31 f   27.122   6.1611  256.827  132.136  424.083  169.578  -1.6788  210.820   34.499   8.5534   19.746   8.8700 14.75326 12.32218 
1 1 1   12   24  -31 o   42.149   5.0883  580.169  119.839  483.398  156.449  717.563  186.417   37.571   7.4731   46.728   6.9076 -9.157272 10.17653 
1 1 1   12   25  -31 o  ?   ?  -1139.6270  194.442 -1127.8070  294.649 -1148.7450  258.792  ?   ?   ?   ?       ?      ? 
1 1 1   12    0  -32 o   12.684   6.1335 -104.0109  141.352 -107.1407  194.723 -100.5245  205.517   12.423   8.5102   12.945   8.8348 -0.000000 0.000000 
1 1 1   12    1  -32 o   11.859   4.2524 -491.7143  122.688 -688.6271  236.723 -419.3956  143.459   13.261   6.6823   10.457   5.2609 2.803488 8.504737 
1 1 1   12    2  -32 o   37.994   6.6789  477.934  141.565  526.157  236.828  451.124  176.587   38.987   10.346   37.001   8.4490 1.986458 13.35784 
1 1 1   12    3  -32 o   16.511   5.8239 -420.2478  159.088 -450.5248  181.221 -318.5094  332.195   12.360   6.1737   20.663   9.8770 -8.303063 11.64774 
1 1 1   12    4  -32 o   22.906   7.2055   5.0553  167.880  -4.8092  193.465   35.127  337.790   19.894   8.7389   25.917   11.459 -6.023436 14.41105 
1 1 1   12    5  -32 o   73.459   3.8812  1627.12  164.412  1565.21  225.050  1697.99  240.773   72.010   5.4113   74.909   5.5653 -2.898468 7.762401 
1 1 1   12    6  -32 o   51.566   4.5029  817.046  132.201  817.035  173.392  817.062  204.309   51.834   5.7920   51.298   6.8961 0.5360909 9.005767 
1 1 1   12    7  -32 o   44.830   7.3826  722.021  163.949  745.772  184.495  632.848  357.487   49.161   6.4979   40.498   13.259 8.663795 14.76524 
1 1 1   12    8  -32 o   36.623   7.3155  477.075  154.918  492.880  183.781  438.275  287.954   38.460   8.5001   34.786   11.908 3.673965 14.63091 
1 1 1   12    9  -32 o   62.415   5.1025  1108.87  151.684  1451.52  341.171  1024.45  169.340   66.524   8.8799   58.305   5.0288 8.218391 10.20502 
1 1 1   12   10  -32 o   11.789   4.1860 -485.4402  125.596 -537.8989  181.211 -436.9435  174.234   11.549   5.8232   12.028   6.0150 -0.4791193 8.371974 
1 1 1   12   11  -32 o   64.115   4.1086  1292.44  135.649  1338.57  161.407  1181.48  250.299   67.022   4.1699   61.208   7.0805 5.813911 8.217151 
1 1 1   12   12  -32 o   24.036   6.7678  114.851  136.214  265.242  235.737   39.471  166.895   28.486   10.647   19.585   8.3572 8.901232 13.53551 
1 1 1   12   13  -32 o   64.883   4.5233  1322.71  165.884  1633.99  236.658  1022.06  232.587   73.005   5.6129   56.761   7.0949 16.24343 9.046638 
1 1 1   12   14  -32 o   15.865   5.6748 -650.3101  195.285 -676.2562  230.872 -585.0630  366.113   12.902   6.5139   18.827   9.2941 -5.924293 11.34953 
1 1 1   12   15  -32 o   43.013   5.6644  612.612  137.447  680.149  195.947  547.193  192.850   46.006   7.3746   40.021   8.5997 5.985077 11.32871 
1 1 1   12   16  -32 o   17.612   8.7811 -938.4199  188.186 -1025.7061  220.880 -707.2896  359.429  ?   ?    17.612   8.7811      ?      ? 
1 1 1   12   17  -32 o   29.485   7.2941  320.096  155.298  371.001  182.628  187.165  295.123   32.253   9.2954   26.717   11.243 5.535589 14.58827 
1 1 1   12   18  -32 o   24.975   6.7716  186.061  129.741  234.150  229.775  163.553  157.198   26.780   10.389   23.171   8.6880 3.609146 13.54319 
1 1 1   12   19  -32 o   27.553   7.5981  241.257  148.444  282.535  351.435  232.293  163.771   29.114   12.261   25.993   8.9767 3.120266 15.19622 
1 1 1   12   20  -32 o   48.117   5.8854  853.884  145.762  589.219  238.178  1012.36  184.307   39.295   10.351   56.938   5.6047 -17.64235 11.77083 
1 1 1   12   21  -32 o   12.173   4.2790 -342.9584  116.091 -302.2112  152.569 -398.9932  178.915   11.959   5.9212   12.386   6.1788 -0.4274960 8.557958 
1 1 1   12   22  -32 o   45.892   5.1629  663.792  131.505  863.689  227.648  563.677  161.105   50.298   7.8366   41.486   6.7239 8.812000 10.32586 
1 1 1   12    0  -33 o   24.725   8.2629  285.533  147.250  160.666  217.766  390.721  199.870   19.425   11.430   30.026   11.936 -0.000000 0.000000 
1 1 1   12    1  -33 o   26.954   6.4079  233.964  120.308  166.453  167.561  305.798  172.844   23.969   8.9732   29.940   9.1502 -5.970636 12.81581 
1 1 1   12    2  -33 f   20.944   6.8306 -183.4144  172.761  138.154  321.804 -313.6192  204.771   26.930   11.551   14.959   7.2943 11.97069 13.66115 
1 1 1   12    3  -33 o   43.228   4.7980  591.506  116.498  523.373  163.416  661.915  166.124   40.189   7.3098   46.266   6.2170 -6.077431 9.596087 
1 1 1   12    4  -33 o   38.638   5.9839  510.300  135.186  697.851  189.179  314.592  193.249   47.095   6.9552   30.181   9.7391 16.91447 11.96771 
1 1 1   12    5  -33 o   52.170   5.2900  859.265  156.578  918.742  248.295  819.997  201.751   53.245   8.0743   51.096   6.8367 2.148754 10.57992 
1 1 1   12    6  -33 o   26.547   6.2570  236.193  131.450 -53.3563  242.482  356.696  156.429   20.610   9.3604   32.483   8.3058 -11.87355 12.51408 
1 1 1   12    7  -33 o   20.317   5.8020   34.429  119.061 -145.5019  173.044  196.180  164.070   15.661   7.3805   24.974   8.9545 -9.313161 11.60405 
1 1 1   12    8  -33 f   26.763   6.5557  230.503  129.604  126.256  187.701  325.493  179.172   22.938   9.2329   30.587   9.3093 -7.649021 13.11147 
1 1 1   12    9  -33 o   49.118   5.2752  800.793  140.486  965.359  192.053  611.386  206.039   55.866   5.9524   42.370   8.7108 13.49510 10.55032 
1 1 1   12   10  -33 o   37.651   6.8248  499.060  145.635  485.772  183.283  521.818  239.868   37.668   8.6123   37.635   10.590 0.3381348E-01 13.64958 
1 1 1   12   11  -33 o   18.399   5.8779 -43.6499  129.451   0.8529  208.168 -71.7109  165.299   20.192   8.9583   16.605   7.6123 3.586721 11.75578 
1 1 1   12   12  -33 f   63.332   3.9443  1253.16  139.388  1152.83  221.942  1318.51  179.120   60.632   6.3380   66.031   4.6969 -5.399120 7.888638 
1 1 1   12   13  -33 o   26.743   7.4817  220.196  169.761  211.759  222.932  231.842  261.906   26.158   10.210   27.328   10.939 -1.170185 14.96346 
1 1 1   12   14  -33 o   40.261   4.7275  515.330  106.974  599.218  160.122  447.706  143.764   43.591   6.3603   36.932   6.9961 6.658581 9.455098 
1 1 1   12   15  -33 o   17.348   5.5089 -66.0706  120.250   66.868  172.591 -191.4858  167.636   20.274   8.5686   14.422   6.9261 5.852725 11.01778 
1 1 1   12   16  -33 f   63.518   3.9020  1267.64  140.361  1150.55  213.560  1356.69  186.235   60.391   6.1230   66.646   4.8384 -6.254963 7.803926 
1 1 1   12   17  -33 o   18.549   6.0622 -68.6429  139.043  -6.1151  252.361 -95.8976  166.612   21.163   9.5870   15.934   7.4225 5.228677 12.12449 
1 1 1   12   18  -33 o   53.210   4.7327  911.033  144.606  980.751  218.989  857.129  192.559   54.802   6.9189   51.617   6.4593 3.185093 9.465411 
1 1 1   12   19  -33 o   94.908   2.7348  2729.29  138.615  2756.82  167.710  2669.95  246.244   96.446   3.0109   93.370   4.5664 3.075905 5.469661 
1 1 1   12   20  -33 o   32.130   6.1262  453.540  136.097  553.960  152.390   57.811  302.514   41.255   6.3957   23.004   10.451 18.25091 12.25241 
1 1 1   12    0  -34 o   61.878   7.5622  1329.67  232.447  1012.77  332.931  1631.07  324.685   52.162   12.758   71.595   8.1221 -0.000000 0.000000 
1 1 1   12    1  -34 o   16.772   5.8168 -256.4358  148.345 -242.9167  167.309 -306.1375  320.796   13.753   6.6807   19.790   9.5241 -6.037448 11.63360 
1 1 1   12    2  -34 o   67.331   3.8636  1390.50  150.243  1381.94  212.447  1399.06  212.504   67.112   5.4811   67.551   5.4469 -0.4393921 7.727298 
1 1 1   12    3  -34 o   59.709   6.1865  1226.42  137.487  1139.24  360.122  1241.30  148.755   54.921   11.711   64.497   3.9935 -9.575470 12.37308 
1 1 1   12    4  -34 o   36.136   6.2245  451.652  128.751  488.227  186.081  418.061  178.328   37.616   8.7332   34.656   8.8718 2.959957 12.44901 
1 1 1   12    5  -34 o   22.406   6.9290 -36.7435  163.162  252.098  290.668 -169.6281  197.153   28.392   11.468   16.419   7.7799 11.97317 13.85794 
1 1 1   12    6  -34 o   25.381   6.3334  211.389  116.005  189.183  171.178  230.247  157.753   24.591   9.0964   26.170   8.8149 -1.579430 12.66674 
1 1 1   12    7  -34 o   46.918   5.1978  702.825  136.163  868.626  208.013  578.515  180.115   52.194   6.9006   41.643   7.7750 10.55156 10.39558 
1 1 1   12    8  -34 o   15.671   5.2600 -171.4018  128.349 -111.1017  187.957 -224.0879  175.690   16.910   7.8790   14.432   6.9709 2.477962 10.52008 
1 1 1   12    9  -34 o   42.201   5.0432  562.034  118.715  694.716  188.208  474.362  152.989   46.523   7.0045   37.878   7.2576 8.645214 10.08642 
1 1 1   12   10  -34 o   48.177   4.0881  719.144  112.817  697.163  149.449  748.264  172.014   47.522   5.4452   48.833   6.0991 -1.311050 8.176132 
1 1 1   12   11  -34 o   62.802   3.6153  1206.23  130.679  1163.99  176.484  1257.50  194.432   61.703   4.9524   63.901   5.2684 -2.197868 7.230639 
1 1 1   12   12  -34 o   40.935   6.6488  567.001  149.697  782.285  253.123  451.204  185.641   46.394   9.7561   35.476   9.0358 10.91868 13.29765 
1 1 1   12   13  -34 o   21.980   6.3284  120.672  123.733  131.160  199.871  114.154  157.553   22.824   9.3994   21.136   8.4761 1.687387 12.65675 
1 1 1   12   14  -34 o   52.356   4.7402  885.589  137.945  884.223  173.949  887.905  226.438   53.100   5.6721   51.613   7.5963 1.486385 9.480338 
1 1 1   12   15  -34 o   45.536   6.3041  742.596  159.783  808.637  229.754  680.735  222.362   47.818   8.6371   43.253   9.1851 4.564701 12.60817 
1 1 1   12   16  -34 o   45.824   6.2990  760.311  160.516  728.905  231.107  789.582  223.113   44.471   9.2974   47.178   8.5011 -2.707561 12.59800 
1 1 1   12   17  -34 o   16.254   5.5272 -211.4023  148.625 -97.3804  228.663 -294.8090  195.570   18.313   8.5841   14.195   6.9652 4.117634 11.05449 
1 1 1   12    0  -35 o   21.995   7.9778  185.105  151.550  412.584  225.309  -2.8511  204.803   29.548   12.797   14.443   9.5298 -0.000000 0.000000 
1 1 1   12    1  -35 o   41.819   7.3617  739.710  175.311  825.136  198.985  443.426  370.578   50.737   6.7907   32.902   13.064 17.83511 14.72335 
1 1 1   12    2  -35 o   38.439   5.5701  505.351  121.045  403.991  176.214  595.909  166.560   33.699   8.9159   43.179   6.6790 -9.480171 11.14014 
1 1 1   12    3  -35 o   11.643   4.1062 -361.3711  110.911 -465.8720  175.599 -292.0125  143.058   11.696   5.8756   11.590   5.7377 0.1060543 8.212481 
1 1 1   12    4  -35 o   59.124   6.8772  1272.32  192.288  1312.04  223.864  1160.58  375.516   64.636   5.9969   53.612   12.378 11.02446 13.75442 
1 1 1   12    5  -35 o   26.760   7.3186  245.648  156.902   30.776  363.746  294.767  173.914   24.847   11.354   28.673   9.2377 -3.826546 14.63712 
1 1 1   12    6  -35 o   42.584   5.8010  619.906  139.233  516.871  194.782  727.558  199.099   38.032   9.0067   47.136   7.3135 -9.104160 11.60207 
1 1 1   12    7  -35 o   33.843   6.5314  416.755  131.056  430.265  191.181  404.778  180.005   34.257   9.3855   33.429   9.0857 0.8280716 13.06284 
1 1 1   12    8  -35 o   23.966   6.2944  189.063  117.980  230.684  143.795  103.333  206.375   25.763   8.4076   22.169   9.3696 3.593973 12.58878 
1 1 1   12    9  -35 o   36.022   6.5548  472.923  136.082  450.732  179.565  502.864  208.574   35.385   8.8182   36.658   9.7007 -1.272602 13.10967 
1 1 1   12   10  -35 o   17.517   5.5643 -38.4595  122.021 -151.8389  179.633   58.679  166.270   15.519   7.3746   19.514   8.3344 -3.994283 11.12867 
1 1 1   12   11  -35 o   38.349   6.3865  530.873  138.994  629.972  209.028  452.324  186.098   41.710   8.9455   34.987   9.1175 6.722694 12.77303 
1 1 1   12   12  -35 o   36.244   7.0512  518.371  153.661  567.753  203.073  452.220  235.034   39.196   9.1390   33.292   10.740 5.904224 14.10230 
1 1 1   12   13  -35 o   13.392   4.6785 -293.0981  120.637 -220.9483  200.337 -334.1437  151.104   15.337   7.4169   11.446   5.7048 3.891019 9.357070 
1 1 1   12    0  -36 o   41.579   10.425  731.817  222.559  1041.71  381.544  571.993  274.004   48.652   15.432   34.507   14.020 -0.000000 0.000000 
1 1 1   12    1  -36 o   68.258   3.9260  1381.04  147.566  1204.20  179.191  1753.69  260.120   62.406   4.9717   74.109   6.0774 -11.70346 7.851899 
1 1 1   12    2  -36 o   38.943   5.8113  534.711  126.614  562.045  179.045  507.369  179.073   40.154   8.0014   37.732   8.4298 2.421951 11.62257 
1 1 1   12    3  -36 o   41.656   5.7158  634.178  129.836  759.523  169.419  455.794  202.109   48.791   6.0123   34.522   9.7228 14.26873 11.43154 
1 1 1   12    4  -36 o   21.426   6.4345   92.625  137.083  141.415  212.432   57.812  179.444   23.017   9.6025   19.836   8.5676 3.181147 12.86905 
1 1 1   12    5  -36 f   18.106   5.9030 -55.7607  142.750 -108.4199  224.029 -19.7653  185.221   18.061   8.4757   18.151   8.2186 -0.9001923E-01 11.80610 
1 1 1   12    6  -36 o   26.257   6.8588  244.268  138.314  329.956  208.521  176.947  184.827   29.032   10.123   23.482   9.2568 5.550169 13.71754 
1 1 1   12    7  -36 o   17.218   5.6889 -79.2360  135.158 -149.7281  234.941 -44.3664  165.239   17.766   8.4398   16.670   7.6306 1.096203 11.37783 
1 1 1   13    0    0 -   32.160   10.294  413.021  248.225   86.164  375.783  666.038  330.623   22.605   14.107   41.715   14.996 -0.000000 0.000000 
1 1 1   13    1    0 o  358.686   2.5851 37176.88  535.216 37357.14  748.366 36988.14  765.751  359.579   3.6044  357.793   3.7066 -0.000000 0.000000 
1 1 1   13    2    0 o  141.490   2.2292  5791.61  181.359  5802.02  246.771  5779.38  267.434  141.639   3.0198  141.342   3.2801 -0.000000 0.000000 
1 1 1   13    3    0 o  310.941   1.7162 27927.89  308.009 27930.56  429.169 27925.05  442.307  310.958   2.3900  310.924   2.4635 -0.000000 0.000000 
1 1 1   13    4    0 o  284.079   2.4160 23314.72  396.221 23652.54  565.253 22988.39  555.554  286.102   3.4220  282.056   3.4115 -0.000000 0.000000 
1 1 1   13    5    0 o  258.138   2.0451 19329.81  290.281 19508.84  360.219 18998.22  490.233  259.871   2.4005  256.404   3.3117 -0.000000 0.000000 
1 1 1   13    6    0 o   54.644   5.1681  907.817  154.759  867.695  216.353  949.855  221.460   53.294   7.4451   55.994   7.1699 -0.000000 0.000000 
1 1 1   13    7    0 o  171.634   2.8860  8418.84  282.335  6784.62  378.756 10462.51  423.554  153.070   4.2920  190.197   3.8594 -0.000000 0.000000 
1 1 1   13    8    0 o  254.309   2.3220 18716.58  340.414 17817.49  485.993 19582.59  476.970  248.296   3.3905  260.323   3.1735 -0.000000 0.000000 
1 1 1   13    9    0 o   44.064   8.3037  850.792  216.054  1203.41  268.535  203.577  363.811   63.161   7.6617   24.967   14.734 -0.000000 0.000000 
1 1 1   13   10    0 o   72.491   6.1013  1595.77  242.284  1685.20  326.128  1485.62  361.946   75.180   7.6959   69.803   9.4697 -0.000000 0.000000 
1 1 1   13   11    0 o   90.682   4.6604  2435.24  219.255  3791.04  329.414  1356.88  293.783  114.210   5.0161   67.154   7.8559 -0.000000 0.000000 
1 1 1   13   12    0 o  134.853   3.0042  5333.82  226.527  5557.16  291.004  4990.36  360.868  138.553   3.6423  131.154   4.7785 -0.000000 0.000000 
1 1 1   13   13    0 o  163.398   2.3353  7721.97  220.173  7713.21  310.248  7730.86  312.508  163.305   3.2925  163.491   3.3127 -0.000000 0.000000 
1 1 1   13   14    0 o   92.864   3.8751  2452.73  202.907  3134.32  315.404  1971.47  265.032  103.728   5.2963   82.001   5.6581 -0.000000 0.000000 
1 1 1   13   15    0 o   12.123   6.1186 -392.7797  189.411 -323.0116  243.770 -499.0785  300.895   11.897   8.4385   12.349   8.8622 -0.000000 0.000000 
1 1 1   13   16    0 f   47.749   8.2538  827.227  190.774  991.925  246.620  581.834  301.033   56.949   7.9398   38.550   14.473 -0.000000 0.000000 
1 1 1   13   17    0 o   55.972   5.6986  961.789  173.001  932.213  243.772  991.800  245.557   54.990   8.2159   56.954   7.8992 -0.000000 0.000000 
1 1 1   13   18    0 o  114.201   3.0422  3723.49  197.932  4220.28  308.220  3374.83  258.209  120.584   4.4394  107.817   4.1607 -0.000000 0.000000 
1 1 1   13   19    0 o  135.814   2.4113  5340.71  188.851  5418.46  266.728  5262.55  267.425  136.811   3.3804  134.818   3.4396 -0.000000 0.000000 
1 1 1   13   20    0 o   13.550   6.5387 -135.6257  158.430 -127.8715  233.630 -142.2272  215.565   14.023   9.5283   13.077   8.9572 -0.000000 0.000000 
1 1 1   13   21    0 o  164.338   2.1712  7790.38  202.491  9853.46  297.428  6008.03  276.452  184.607   2.7911  144.069   3.3265 -0.000000 0.000000 
1 1 1   13   22    0 o  121.141   2.5126  4295.07  171.053  5504.73  246.021  3163.10  237.989  137.911   3.0923  104.371   3.9611 -0.000000 0.000000 
1 1 1   13   23    0 o  118.298   3.4409  4055.48  234.641   0.0000   0.0000  4055.48  234.641  118.298   3.4409  118.298   3.4409 -0.000000 0.000000 
1 1 1   13   24    0 o   87.724   3.0231  2240.92  152.271  2216.73  211.779  2266.81  219.093   87.239   4.2259   88.209   4.3243 -0.000000 0.000000 
1 1 1   13   25    0 o   24.812   6.7423  166.765  142.916  497.880  199.252 -184.0855  205.104   37.623   10.592   12.001   8.3452 -0.000000 0.000000 
1 1 1   13   26    0 o  107.001   2.9096  3319.85  178.859  3047.65  247.522  3617.27  258.741  102.386   4.2020  111.616   4.0256 -0.000000 0.000000 
1 1 1   13   27    0 o   11.074   5.6266 -450.2382  175.340 -722.7998  263.961 -234.9953  234.569   9.6386   7.0770   12.510   8.7493 -0.000000 0.000000 
1 1 1   13   28    0 o   30.037   9.3017  361.197  190.504  562.860  272.745  169.095  266.201   38.248   13.564   21.826   12.732 -0.000000 0.000000 
1 1 1   13   29    0 o   66.322   5.4536  1398.23  183.075  1786.87  249.332  943.568  269.678   77.933   5.6062   54.711   9.3562 -0.000000 0.000000 
1 1 1   13   30    0 o  102.693   2.6789  3056.93  156.651  3103.00  240.768  3023.11  206.285  103.323   4.0489  102.062   3.5090 -0.000000 0.000000 
1 1 1   13   31    0 o   36.428   7.5269  461.987  141.547  662.970  219.991  319.998  184.906   44.927   9.6598   27.930   11.546 -0.000000 0.000000 
1 1 1   13   32    0 f   9.5055   4.7950 -244.3108  114.431 -155.0353  166.653 -323.9492  157.402   10.722   7.4710   8.2890   6.0127 -0.000000 0.000000 
1 1 1   13   33    0 o   46.923   6.5536  676.123  167.686  676.123  167.686   0.0000   0.0000   46.923   6.5536   46.923   6.5536 -0.000000 0.000000 
1 1 1   13   34    0 o   65.867   5.2304  1282.94  196.086   0.0000   0.0000  1282.94  196.086   65.867   5.2304   65.867   5.2304 -0.000000 0.000000 
1 1 1   13   35    0 o   68.361   4.7952  1376.44  187.184   0.0000   0.0000  1376.44  187.184   68.361   4.7952   68.361   4.7952 -0.000000 0.000000 
1 1 1   13   36    0 o   17.531   10.609   92.231  197.836   92.231  197.836   0.0000   0.0000   17.531   10.609   17.531   10.609 -0.000000 0.000000 
1 1 1   13   37    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   38    0 o   48.929   5.3777  724.123  147.287   0.0000   0.0000  724.123  147.287   48.929   5.3777   48.929   5.3777 -0.000000 0.000000 
1 1 1   13   39    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   40    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   41    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   42    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   43    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   44    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   45    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   46    0 o   32.824   15.450  593.347  329.810   0.0000   0.0000  593.347  329.810   32.824   15.450   32.824   15.450 -0.000000 0.000000 
1 1 1   13    0   -1 o  395.819   2.3117 45376.56  502.052 45635.97  620.849 44886.40  853.416  397.482   2.7048  394.155   3.7497 -0.000000 0.000000 
1 1 1   13    1   -1 o  234.076   1.5262 15799.99  202.513 15696.36  261.977 15953.85  319.228  233.127   1.9457  235.024   2.3518 -1.897141 3.052363 
1 1 1   13    2   -1 o  359.840   1.6180 37425.59  330.205 37542.61  428.608 37254.72  517.934  360.539   2.0584  359.141   2.4970 1.397827 3.236054 
1 1 1   13    3   -1 o  271.579   1.9332 21406.71  258.927 21502.04  297.312 21107.37  526.842  272.856   1.8867  270.302   3.3748 2.554230 3.866344 
1 1 1   13    4   -1 o  306.952   1.4925 27241.27  249.590 27125.82  431.388 27299.37  306.009  306.454   2.4373  307.450   1.7234 -0.9957581 2.985059 
1 1 1   13    5   -1 o  199.365   1.6555 11486.87  185.591 11509.85  236.966 11450.40  298.487  199.628   2.0553  199.102   2.5958 0.5259552 3.310933 
1 1 1   13    6   -1 o   86.574   4.1859  2156.38  201.451  2207.93  335.603  2127.34  251.876   87.363   6.6514   85.786   5.0838 1.577393 8.371735 
1 1 1   13    7   -1 o  201.811   2.3498 11755.71  273.311 11926.47  400.959 11607.50  373.536  203.176   3.4170  200.445   3.2266 2.729965 4.699682 
1 1 1   13    8   -1 o  146.244   2.5780  6259.62  201.349  6395.40  243.722  5967.74  357.343  148.792   2.8362  143.697   4.3058 5.094498 5.155932 
1 1 1   13    9   -1 o  293.024   2.3518 24813.07  397.917 24431.23  565.605 25187.27  559.916  290.789   3.3678  295.258   3.2835 -4.468994 4.703569 
1 1 1   13   10   -1 o   90.047   3.7380  2344.97  194.381  2330.74  276.246  2358.92  273.567   89.775   5.3279   90.318   5.2445 -0.5431061 7.476024 
1 1 1   13   11   -1 o  291.039   2.2753 24466.97  382.448   0.0000   0.0000 24466.97  382.448  ?   ?   291.039   2.2753      ?      ? 
1 1 1   13   12   -1 o  299.760   2.3064 25958.43  399.254 26401.57  569.710 25530.76  559.685  302.273   3.2634  297.247   3.2602 5.026611 4.612854 
1 1 1   13   13   -1 o  391.125   2.6390 44222.70  595.957 43898.81  851.365 44533.88  834.509  389.716   3.7825  392.534   3.6810 -2.818451 5.278018 
1 1 1   13   14   -1 f   88.089   3.1464  2201.42  152.009  2377.70  264.049  2114.04  185.904   90.659   5.0430   85.519   3.7639 5.140114 6.292790 
1 1 1   13   15   -1 o   96.043   3.2613  2669.61  180.798  2595.00  257.397  2742.28  254.013   94.715   4.7054   97.372   4.5169 -2.657219 6.522508 
1 1 1   13   16   -1 o  223.943   2.2076 14492.42  285.478 14868.95  405.988 14124.15  401.504  226.821   3.0992  221.065   3.1447 5.756485 4.415223 
1 1 1   13   17   -1 o  204.337   1.6750 12019.82  174.531 11970.55  203.409 12157.32  339.817  203.572   1.7301  205.103   2.8687 -1.530960 3.350037 
1 1 1   13   18   -1 o   47.362   5.8875  664.034  156.143  669.644  208.450  656.862  235.691   48.013   7.5173   46.712   9.0633 1.300858 11.77509 
1 1 1   13   19   -1 o  137.725   2.2817  5483.85  181.482  5559.23  257.584  5409.55  255.735  138.665   3.2164  136.785   3.2372 1.880524 4.563382 
1 1 1   13   20   -1 o  157.746   2.2021  7195.27  200.395  7184.31  290.312  7205.24  276.962  157.626   3.1890  157.865   3.0377 -0.2391052 4.404236 
1 1 1   13   21   -1 o   85.368   3.2896  2092.86  160.086  2004.39  208.308  2220.49  250.196   83.201   4.3350   87.535   4.9489 -4.334404 6.579103 
1 1 1   13   22   -1 o   73.435   3.2044  1570.61  133.728  1513.53  206.505  1611.84  175.497   72.257   4.9484   74.613   4.0726 -2.356178 6.408784 
1 1 1   13   23   -1 o   52.672   4.8351  812.394  134.825  819.880  161.624  795.264  244.481   53.158   5.2644   52.185   8.1117 0.9731102 9.670270 
1 1 1   13   24   -1 o  159.826   1.9711  7351.16  169.826  7486.34  301.244  7288.19  205.614  160.858   3.2426  158.794   2.2420 2.063934 3.942191 
1 1 1   13   25   -1 o  125.228   1.7744  4530.43  128.216  4454.95  177.013  4613.74  185.968  124.134   2.4690  126.322   2.5490 -2.188095 3.548758 
1 1 1   13   26   -1 o   59.014   3.8117  986.979  126.067  1110.41  209.693  917.113  157.761   61.802   5.8748   56.225   4.8583 5.576569 7.623418 
1 1 1   13   27   -1 o   58.655   3.4078  1002.07  114.875  948.884  168.215  1048.56  157.254   57.175   5.0942   60.136   4.5278 -2.960510 6.815509 
1 1 1   13   28   -1 o   71.014   5.1336  1458.14  206.750  1401.28  265.924  1545.03  328.741   69.343   6.6400   72.684   7.8312 -3.341003 10.26728 
1 1 1   13   29   -1 o  147.328   2.2672  6256.80  191.948  6525.29  288.556  6043.71  257.074  150.139   3.3278  144.517   3.0800 5.621185 4.534369 
1 1 1   13   30   -1 o   73.705   2.9904  1593.64  125.765  1811.31  174.060  1355.89  181.918   79.062   3.8120   68.349   4.6085 10.71219 5.980717 
1 1 1   13   31   -1 o  140.634   2.5660  5573.51  178.579  5431.82  203.951  6039.09  369.703  137.030   2.5771  144.239   4.4380 -7.209198 5.131945 
1 1 1   13   32   -1 o   16.540   5.4008 -113.2138  110.915 -109.3476  133.302 -121.9131  199.958   14.533   6.7245   18.547   8.4531 -4.014638 10.80159 
1 1 1   13   33   -1 o  119.150   2.6153  4109.14  179.970   0.0000   0.0000  4109.14  179.970  ?   ?   119.150   2.6153      ?      ? 
1 1 1   13   34   -1 o   64.237   5.1159  1219.48  187.630  1458.16  269.701  995.610  261.201   70.450   6.6285   58.024   7.7943 12.42598 10.23174 
1 1 1   13   35   -1 o   29.116   4.8766  115.326  129.866 -376.9952  185.695  586.619  181.686   13.681   6.7277   44.551   7.0612 -30.86997 9.753101 
1 1 1   13   36   -1 o   12.935   6.3939 -385.1650  175.273 -385.1650  175.273   0.0000   0.0000   12.935   6.3939  ?   ?       ?      ? 
1 1 1   13   37   -1 o   25.417   5.9475  189.059  102.336  216.875  140.989  158.088  148.773   26.719   8.2805   24.116   8.5396 2.602627 11.89503 
1 1 1   13   38   -1 o   21.826   9.1435   47.138  193.744   47.138  193.744   0.0000   0.0000   21.826   9.1435  ?   ?       ?      ? 
1 1 1   13   39   -1 o   46.173   7.0338  648.427  187.568   0.0000   0.0000  648.427  187.568  ?   ?    46.173   7.0338      ?      ? 
1 1 1   13   40   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   41   -1 o   33.253   8.8753  372.261  173.632   0.0000   0.0000  372.261  173.632  ?   ?    33.253   8.8753      ?      ? 
1 1 1   13   42   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   43   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   44   -1 o  101.880   5.8691  3229.76  345.343   0.0000   0.0000  3229.76  345.343  ?   ?   101.880   5.8691      ?      ? 
1 1 1   13   45   -1 o   48.942   10.562  903.235  289.806   0.0000   0.0000  903.235  289.806  ?   ?    48.942   10.562      ?      ? 
1 1 1   13   46   -1 o   55.560   9.1732  1111.57  294.351   0.0000   0.0000  1111.57  294.351  ?   ?    55.560   9.1732      ?      ? 
1 1 1   13    0   -2 o   53.011   7.2813  988.253  172.314  690.713  292.681  1146.10  213.175   43.919   13.234   62.103   6.0771 -0.000000 0.000000 
1 1 1   13    1   -2 o  303.791   1.3683 26655.46  240.062 26860.65  338.666 26448.24  340.337  304.966   1.9228  302.616   1.9473 2.350739 2.736632 
1 1 1   13    2   -2 o  270.090   1.7602 21069.98  273.668 21074.45  403.833 21066.19  372.154  270.114   2.5886  270.066   2.3860 0.4797363E-01 3.520499 
1 1 1   13    3   -2 o  497.343   2.0062 71365.88  565.182 71026.07  730.307 71873.29  892.421  495.883   2.5500  498.803   3.0978 -2.920197 4.012356 
1 1 1   13    4   -2 f  117.201   2.1135  3970.18  142.961  4045.02  199.764  3891.60  204.680  118.335   2.9229  116.067   3.0534 2.267548 4.226899 
1 1 1   13    5   -2 o  177.614   1.9383  9012.78  179.493  8884.07  211.526  9343.83  339.245  175.384   2.0883  179.843   3.2661 -4.458511 3.876667 
1 1 1   13    6   -2 o  225.354   2.1324 14737.45  261.831 14874.78  321.659 14467.75  450.763  226.931   2.4542  223.777   3.4878 3.154572 4.264719 
1 1 1   13    7   -2 o  224.602   2.0427 14514.11  243.976 14423.59  292.194 14722.51  443.369  223.466   2.2640  225.738   3.4008 -2.272461 4.085433 
1 1 1   13    8   -2 o  183.729   2.0820  9811.76  213.596  9993.85  270.916  9512.63  347.235  186.006   2.5219  181.453   3.3134 4.552551 4.163948 
1 1 1   13    9   -2 o   54.188   4.4924  850.106  140.040  754.217  195.760  950.611  200.415   51.051   6.6394   57.324   6.0535 -6.272938 8.984803 
1 1 1   13   10   -2 o  180.130   2.4118  9374.54  250.879  9425.83  358.108  9325.11  351.576  180.613   3.4330  179.647   3.3885 0.9660950 4.823689 
1 1 1   13   11   -2 o  297.536   2.0257 25615.45  327.313 25459.69  569.046 25692.47  400.131  296.835   3.3193  298.236   2.3230 -1.400604 4.051454 
1 1 1   13   12   -2 o  217.962   1.8626 13621.26  221.273 14034.96  385.290 13417.66  270.292  220.398   3.0269  215.526   2.1714 4.872437 3.725204 
1 1 1   13   13   -2 o  267.960   2.1662 20747.83  335.232 20925.91  473.947 20569.53  474.232  269.111   3.0494  266.808   3.0776 2.302887 4.332454 
1 1 1   13   14   -2 o  295.889   2.3340 25295.62  398.785 25609.64  570.696 24996.00  557.471  297.682   3.3195  294.096   3.2821 3.585388 4.668056 
1 1 1   13   15   -2 o  283.263   1.7702 23067.15  254.412 22942.80  295.587 23422.55  499.716  281.831   1.8160  284.696   3.0392 -2.864594 3.540397 
1 1 1   13   16   -2 o  175.419   2.1206  8892.96  214.749  8889.65  299.186  8896.48  308.426  175.388   2.9536  175.451   3.0438 -0.6324768E-01 4.241269 
1 1 1   13   17   -2 o   78.823   3.7023  1875.81  148.701  1632.65  278.289  1972.99  175.921   75.043   6.4210   82.604   3.6875 -7.561195 7.404521 
1 1 1   13   18   -2 o  145.037   2.5738  6079.95  215.529  6292.40  308.506  5877.40  301.233  147.512   3.6212  142.562   3.6586 4.949326 5.147641 
1 1 1   13   19   -2 o   33.550   6.5756  333.855  131.433  383.051  197.977  295.086  175.750   35.608   9.4644   31.492   9.1310 4.116295 13.15111 
1 1 1   13   20   -2 f   46.311   6.1168  658.708  154.682  736.333  200.253  543.882  243.557   50.340   6.8879   42.282   10.110 8.057281 12.23368 
1 1 1   13   21   -2 o  182.765   1.7608  9710.09  160.128  9545.00  321.280  9764.66  184.704  181.683   3.0619  183.846   1.7395 -2.163467 3.521503 
1 1 1   13   22   -2 o   74.916   3.7425  1599.86  160.264  1439.47  209.133  1828.06  249.457   70.455   5.1396   79.377   5.4415 -8.921997 7.484962 
1 1 1   13   23   -2 o   99.600   2.8356  2883.74  161.484  2957.44  215.331  2789.02  244.113  101.081   3.6885   98.119   4.3078 2.962173 5.671143 
1 1 1   13   24   -2 o  118.052   2.2273  4029.81  147.888  4040.01  238.023  4023.40  188.739  118.149   3.4882  117.954   2.7705 0.1948090 4.454605 
1 1 1   13   25   -2 o   62.807   4.8814  1143.36  176.567  1236.37  261.843  1065.80  239.109   65.132   6.9608   60.482   6.8452 4.650425 9.762699 
1 1 1   13   26   -2 o  122.546   2.1694  4351.35  144.419  4324.82  250.876  4364.50  176.617  122.228   3.5539  122.865   2.4890 -0.6368179 4.338798 
1 1 1   13   27   -2 o   21.702   6.5639 -25.4113  147.090   71.621  224.084 -98.8704  194.973   24.597   10.020   18.806   8.4813 5.790733 13.12777 
1 1 1   13   28   -2 o   55.540   3.5403  886.185  112.860  815.202  149.776  979.438  171.671   53.000   4.8931   58.080   5.1178 -5.080444 7.080579 
1 1 1   13   29   -2 f   47.635   6.2604  682.802  161.682  693.701  202.859  663.823  267.701   48.732   7.2076   46.537   10.238 2.195477 12.52083 
1 1 1   13   30   -2 o   61.351   4.7702  1092.87  169.022   0.0000   0.0000  1092.87  169.022  ?   ?    61.351   4.7702      ?      ? 
1 1 1   13   31   -2 o   60.696   3.5618  1093.56  122.198  887.788  179.562  1271.07  166.773   55.214   5.6309   66.177   4.3635 -10.96291 7.123697 
1 1 1   13   32   -2 o   77.234   3.4073  1588.58  122.902  1991.05  284.894  1496.55  136.231   82.595   5.9723   71.873   3.2819 10.72191 6.814633 
1 1 1   13   33   -2 o   64.121   3.6067  1199.57  133.176  1090.08  187.646  1310.70  189.041   61.144   5.3137   67.098   4.8782 -5.953285 7.213371 
1 1 1   13   34   -2 o   53.966   6.3769  901.554  187.987  1175.13  265.807  627.786  265.900   63.123   7.2911   44.809   10.464 18.31441 12.75385 
1 1 1   13   35   -2 o  106.095   2.7221  3236.28  160.990  3136.03  201.313  3414.12  268.138  103.932   3.3538  108.259   4.2886 -4.326691 5.444234 
1 1 1   13   36   -2 o   28.085   8.2608  241.475  142.930   0.0000   0.0000  241.475  142.930  ?   ?    28.085   8.2608      ?      ? 
1 1 1   13   37   -2 o   50.042   8.0850  756.759  233.668  756.759  233.668   0.0000   0.0000   50.042   8.0850  ?   ?       ?      ? 
1 1 1   13   38   -2 o   29.945   5.0501  339.023  102.600  481.883  119.823 -53.5382  198.627   40.385   5.1373   19.505   8.6962 20.88011 10.10029 
1 1 1   13   39   -2 o   42.988   4.4671  491.255  102.083  400.432  119.232  740.626  197.568   36.608   5.6393   49.367   6.9294 -12.75841 8.934134 
1 1 1   13   40   -2 o  111.432   4.0892  3666.79  263.167  3666.79  263.167   0.0000   0.0000  111.432   4.0892  ?   ?       ?      ? 
1 1 1   13   41   -2 o   21.277   8.9581   60.863  187.488   0.0000   0.0000   60.863  187.488  ?   ?    21.277   8.9581      ?      ? 
1 1 1   13   42   -2 o   46.102   10.856  768.949  284.271   0.0000   0.0000  768.949  284.271  ?   ?    46.102   10.856      ?      ? 
1 1 1   13   43   -2 o   94.138   5.5777  2722.80  303.253   0.0000   0.0000  2722.80  303.253  ?   ?    94.138   5.5777      ?      ? 
1 1 1   13   44   -2 o   91.945   5.7651  2625.12  306.137   0.0000   0.0000  2625.12  306.137  ?   ?    91.945   5.7651      ?      ? 
1 1 1   13   45   -2 o   31.301   11.775  390.303  289.217   0.0000   0.0000  390.303  289.217  ?   ?    31.301   11.775      ?      ? 
1 1 1   13   46   -2 o   28.499   12.007  310.605  337.235   0.0000   0.0000  310.605  337.235  ?   ?    28.499   12.007      ?      ? 
1 1 1   13    0   -3 o  547.554   3.4046 86606.85  1076.57   0.0000   0.0000 86606.85  1076.57  547.554   3.4046  547.554   3.4046 -0.000000 0.000000 
1 1 1   13    1   -3 o  268.608   1.5632 20842.43  238.293 20858.86  309.565 20818.54  373.312  268.742   1.9945  268.473   2.4076 0.2688904 3.126427 
1 1 1   13    2   -3 o  428.658   2.0094 53075.95  497.463 52832.50  701.129 53322.75  705.934  427.668   2.8386  429.648   2.8449 -1.979340 4.018843 
1 1 1   13    3   -3 o  448.120   2.4973 58089.93  610.627 57792.36  1051.84 58241.20  749.937  447.219   4.0724  449.022   2.8918 -1.803864 4.994664 
1 1 1   13    4   -3 o  166.184   1.4544  7972.01  137.353  7951.89  178.839  8000.94  214.475  165.931   1.8662  166.437   2.2312 -0.5060730 2.908756 
1 1 1   13    5   -3 o  320.950   2.0666 29775.45  364.977 29693.73  618.119 29819.18  452.229  320.595   3.3383  321.305   2.4370 -0.7104797 4.133214 
1 1 1   13    6   -3 o  200.996   1.6232 11668.37  188.388 11687.59  269.450 11650.00  263.491  201.157   2.3193  200.834   2.2717 0.3228760 3.246470 
1 1 1   13    7   -3 o  309.368   2.0588 27497.43  347.271 28104.14  603.100 27196.50  424.753  311.889   3.3481  306.848   2.3968 5.040466 4.117600 
1 1 1   13    8   -3 o   91.977   4.1394  2453.44  216.236  2484.00  282.260  2410.04  336.431   92.686   5.2729   91.268   6.3825 1.417831 8.278861 
1 1 1   13    9   -3 o  151.101   1.8370  6564.40  158.783  6812.50  243.831  6381.73  209.226  153.566   2.7492  148.637   2.4373 4.928482 3.674030 
1 1 1   13   10   -3 o  231.958   1.6072 15547.86  214.418 15470.65  317.668 15612.48  290.602  231.426   2.3767  232.490   2.1643 -1.064407 3.214463 
1 1 1   13   11   -3 o  241.638   1.8362 16864.79  241.443 16875.90  418.800 16859.27  295.491  241.682   3.0004  241.594   2.1177 0.8786011E-01 3.672490 
1 1 1   13   12   -3 o  112.289   2.4447  3640.58  157.445  3670.59  237.471  3617.03  210.315  112.697   3.6485  111.881   3.2548 0.8157349 4.889327 
1 1 1   13   13   -3 o   14.034   7.0378 -869.7551  154.039 -968.4630  197.357 -715.8904  246.404  ?   ?    14.034   7.0378      ?      ? 
1 1 1   13   14   -3 o  176.837   2.1288  9029.41  216.283  8970.00  290.896  9102.84  323.425  176.193   2.8587  177.481   3.1553 -1.288177 4.257679 
1 1 1   13   15   -3 o  163.867   1.6976  7769.81  159.202  7667.06  241.151  7849.17  211.955  162.900   2.5632  164.834   2.2264 -1.934006 3.395147 
1 1 1   13   16   -3 o   88.127   3.5056  2273.77  171.994  2351.70  218.212  2145.94  279.473   90.172   4.1901   86.083   5.6213 4.089134 7.011117 
1 1 1   13   17   -3 o   70.706   4.5789  1435.32  186.006  1646.35  278.555  1265.49  249.881   75.354   6.4006   66.059   6.5496 9.294785 9.157781 
1 1 1   13   18   -3 o  186.087   2.0867 10018.56  223.366 10116.76  303.421  9902.38  330.029  187.092   2.8081  185.083   3.0875 2.009567 4.173429 
1 1 1   13   19   -3 o  246.468   2.1263 17518.33  299.702 17861.30  459.086 17263.61  395.641  248.548   3.1982  244.389   2.8031 4.158844 4.252693 
1 1 1   13   20   -3 o  176.829   2.0766  9039.48  212.057  9004.15  297.889  9075.77  301.940  176.480   2.9226  177.178   2.9507 -0.6985168 4.153129 
1 1 1   13   21   -3 o   50.262   5.3345  732.594  154.853   0.0000   0.0000  732.594  154.853  ?   ?    50.262   5.3345      ?      ? 
1 1 1   13   22   -3 o  109.721   2.2414  3507.24  134.682  3401.93  228.717  3563.14  166.637  108.422   3.6526  111.020   2.5989 -2.598396 4.482788 
1 1 1   13   23   -3 o   63.480   3.5746  1150.43  129.737  1045.51  169.439  1299.11  201.699   60.046   4.8859   66.914   5.2192 -6.867607 7.149285 
1 1 1   13   24   -3 o   84.325   3.5251  2058.08  171.675  2058.08  171.675   0.0000   0.0000   84.325   3.5251  ?   ?       ?      ? 
1 1 1   13   25   -3 o  ?   ?  -1142.3750  187.190   0.0000   0.0000 -1142.3750  187.190  ?   ?   ?   ?       ?      ? 
1 1 1   13   26   -3 o  102.910   3.5446  3065.79  210.674   0.0000   0.0000  3065.79  210.674  ?   ?   102.910   3.5446      ?      ? 
1 1 1   13   27   -3 o   96.255   2.8097  2660.56  155.300  2900.16  235.509  2476.22  206.577  100.048   4.0758   92.462   3.8684 7.585800 5.619337 
1 1 1   13   28   -3 o  109.790   2.5751  3440.80  161.975  3897.05  249.070  3106.43  213.221  116.001   3.7177  103.579   3.5643 12.42107 5.150287 
1 1 1   13   29   -3 o   77.256   3.6054  1728.56  160.870   0.0000   0.0000  1728.56  160.870  ?   ?    77.256   3.6054      ?      ? 
1 1 1   13   30   -3 o   67.973   3.9888  1339.40  156.588   0.0000   0.0000  1339.40  156.588  ?   ?    67.973   3.9888      ?      ? 
1 1 1   13   31   -3 o   62.419   3.6015  1156.07  121.585  1064.85  208.530  1203.05  149.655   60.434   5.9745   64.404   4.0234 -3.970173 7.202923 
1 1 1   13   32   -3 f  124.527   2.7436  4464.86  196.334  5143.26  290.835  3896.84  266.124  133.167   3.7815  115.887   3.9762 17.28023 5.487219 
1 1 1   13   33   -3 o   84.603   3.1647  2074.17  154.633   0.0000   0.0000  2074.17  154.633  ?   ?    84.603   3.1647      ?      ? 
1 1 1   13   34   -3 o   27.693   7.5862  139.830  181.860  266.181  241.828 -24.6397  275.905   31.105   10.899   24.281   10.555 6.823973 15.17236 
1 1 1   13   35   -3 o   88.874   3.1226  2291.75  160.280   0.0000   0.0000  2291.75  160.280  ?   ?    88.874   3.1226      ?      ? 
1 1 1   13   36   -3 o   74.927   4.2572  1659.79  183.215  1452.92  257.444  1872.08  260.798   70.094   6.3594   79.760   5.6616 -9.665756 8.514433 
1 1 1   13   37   -3 o   17.155   5.8543 -399.4117  179.440 -629.5229  268.677 -214.1260  241.092   15.491   7.7019   18.818   8.8189 -3.327909 11.70868 
1 1 1   13   38   -3 o   36.332   5.9918  309.558  114.223  184.037  130.195  729.054  238.012   24.733   7.9952   47.931   8.9265 -23.19838 11.98355 
1 1 1   13   39   -3 o   63.110   3.1917  1193.32  109.895  1231.77  136.229  1121.68  185.957   64.833   3.6382   61.387   5.2450 3.445984 6.383326 
1 1 1   13   40   -3 o   39.602   6.4380  494.044  112.577  485.891  122.435  538.643  286.358   40.256   5.2661   38.949   11.750 1.307693 12.87610 
1 1 1   13   41   -3 o   15.970   7.9343 -587.8275  282.987   0.0000   0.0000 -587.8275  282.987  ?   ?    15.970   7.9343      ?      ? 
1 1 1   13   42   -3 o   57.314   4.9454  992.318  163.702   0.0000   0.0000  992.318  163.702  ?   ?    57.314   4.9454      ?      ? 
1 1 1   13   43   -3 o   50.146   5.8327  777.361  168.923   0.0000   0.0000  777.361  168.923  ?   ?    50.146   5.8327      ?      ? 
1 1 1   13   44   -3 o   74.743   7.9388  1845.98  342.698   0.0000   0.0000  1845.98  342.698  ?   ?    74.743   7.9388      ?      ? 
1 1 1   13   45   -3 o   58.810   6.8888  1121.60  233.979   0.0000   0.0000  1121.60  233.979  ?   ?    58.810   6.8888      ?      ? 
1 1 1   13   46   -3 o   40.227   9.0095  594.294  204.113   0.0000   0.0000  594.294  204.113  ?   ?    40.227   9.0095      ?      ? 
1 1 1   13    0   -4 o   25.087   9.2001   31.362  237.724 -483.9888  335.602  550.358  336.787   13.629   9.7089   36.545   15.630 -0.000000 0.000000 
1 1 1   13    1   -4 o  444.078   2.0843 56964.71  534.568 57383.02  758.380 56551.62  753.631  445.698   2.9462  442.457   2.9492 3.240723 4.168659 
1 1 1   13    2   -4 o  395.601   2.1346 45117.23  426.070 45398.18  842.196 45020.59  493.943  396.393   3.6788  394.810   2.1662 1.583282 4.269173 
1 1 1   13    3   -4 o  190.596   2.1874 10474.61  178.594 10523.42  440.606 10465.02  195.363  190.837   3.9976  190.355   1.7770 0.4813843 4.374802 
1 1 1   13    4   -4 o  383.568   2.1008 42218.95  400.259 43053.90  812.682 41951.55  459.908  386.020   3.6452  381.116   2.0894 4.903992 4.201600 
1 1 1   13    5   -4 o  247.098   1.9973 17683.48  258.335 17528.89  479.684 17746.64  306.596  246.317   3.3719  247.878   2.1416 -1.560898 3.994529 
1 1 1   13    6   -4 o  221.306   1.9098 14143.31  235.764 14163.88  387.482 14131.22  297.084  221.424   3.0300  221.187   2.3256 0.2370148 3.819582 
1 1 1   13    7   -4 o  177.520   2.0988  9114.66  211.476  9162.91  275.154  9045.03  330.556  178.101   2.6750  176.938   3.2347 1.162903 4.197506 
1 1 1   13    8   -4 o  218.844   1.5733 13823.74  198.666 13621.61  274.229 14047.00  288.206  217.163   2.1865  220.526   2.2629 -3.363022 3.146607 
1 1 1   13    9   -4 o   36.112   6.5229  358.003  141.472  603.950  224.311  195.553  182.302   44.850   8.9730   27.373   9.4700 17.47709 13.04588 
1 1 1   13   10   -4 o   77.255   4.2543  1777.33  172.609  1603.30  310.650  1855.06  207.607   74.405   7.2291   80.105   4.4874 -5.700180 8.508671 
1 1 1   13   11   -4 o  114.184   3.0023  3769.64  197.514  3760.20  289.356  3777.87  270.272  114.045   4.3931  114.322   4.0934 -0.2763138 6.004618 
1 1 1   13   12   -4 o   93.165   2.6758  2466.24  141.529  2733.52  225.971  2293.71  181.547   97.242   4.0236   89.088   3.5285 8.154938 5.351565 
1 1 1   13   13   -4 o  101.244   2.0828  2973.99  119.612  3028.96  155.949  2895.44  186.410  102.391   2.6372  100.097   3.2245 2.294334 4.165575 
1 1 1   13   14   -4 o   15.792   5.4016 -345.4611  150.117 -628.1455  262.629 -208.2843  182.950   15.544   7.7091   16.040   7.5683 -0.4961643 10.80318 
1 1 1   13   15   -4 o  150.069   2.4659  6506.69  213.723  6506.69  213.723   0.0000   0.0000  150.069   2.4659  ?   ?       ?      ? 
1 1 1   13   16   -4 o  180.458   1.8700  9358.26  177.961  9536.88  328.510  9284.07  211.718  181.647   3.1314  179.270   2.0449 2.376953 3.739921 
1 1 1   13   17   -4 o   18.280   6.3114 -494.1968  185.529 -308.6834  336.474 -575.2385  222.391   22.652   10.550   13.908   6.9299 8.744071 12.62275 
1 1 1   13   18   -4 o  227.679   2.0742 14976.57  272.747 14976.57  272.747   0.0000   0.0000  227.679   2.0742  ?   ?       ?      ? 
1 1 1   13   19   -4 o  183.518   1.3917  9715.87  146.337  9618.06  194.599  9843.16  222.001  182.462   1.8466  184.574   2.0826 -2.112076 2.783369 
1 1 1   13   20   -4 o  134.655   2.0462  5277.42  151.279  5126.91  255.656  5358.52  187.659  133.143   3.3247  136.168   2.3862 -3.024643 4.092390 
1 1 1   13   21   -4 o  106.582   2.4163  3316.89  142.107  3180.33  236.733  3393.81  177.680  104.822   3.9104  108.343   2.8396 -3.520386 4.832632 
1 1 1   13   22   -4 o   64.553   3.9694  1222.31  146.084  1112.74  218.805  1310.42  196.222   61.883   6.1221   67.222   5.0542 -5.338554 7.938794 
1 1 1   13   23   -4 o  175.505   1.9377  8775.09  193.437  9640.59  306.449  8201.84  249.401  182.578   2.9062  168.432   2.5638 14.14607 3.875453 
1 1 1   13   24   -4 o  157.770   2.2370  7104.90  202.455  8157.32  308.077  6304.95  268.595  167.914   3.1768  147.625   3.1503 20.28876 4.473958 
1 1 1   13   25   -4 o  110.994   2.4705  3454.18  155.846  4383.24  246.193  2832.95  201.316  123.060   3.4640   98.928   3.5235 24.13151 4.941060 
1 1 1   13   26   -4 o  102.646   3.3357  3049.26  197.751   0.0000   0.0000  3049.26  197.751  ?   ?   102.646   3.3357      ?      ? 
1 1 1   13   27   -4 o  283.407   2.1019 23214.89  344.045 23214.89  344.045   0.0000   0.0000  283.407   2.1019  ?   ?       ?      ? 
1 1 1   13   28   -4 o   56.387   3.8757  934.971  124.654  794.453  180.468  1063.18  172.383   52.253   5.9801   60.521   4.9318 -8.268017 7.751376 
1 1 1   13   29   -4 o  111.057   2.7707  3561.00  164.073  3608.24  296.519  3540.15  196.976  111.512   4.6041  110.602   3.0836 0.9102859 5.541347 
1 1 1   13   30   -4 o  109.422   3.0548  3500.79  191.363  3025.72  274.188  3951.96  267.202  102.087   4.6504  116.757   3.9625 -14.66953 6.109653 
1 1 1   13   31   -4 o  182.669   2.1650  9635.97  227.933 10028.18  335.565  9300.01  310.575  186.101   3.1221  179.236   3.0002 6.865601 4.329981 
1 1 1   13   32   -4 o   28.008   6.2467  208.284  145.959 -303.2132  276.973  404.944  171.741   19.663   9.2884   36.352   8.3553 -16.68826 12.49337 
1 1 1   13   33   -4 o   52.188   10.507  843.975  305.744  843.975  305.744   0.0000   0.0000   52.188   10.507  ?   ?       ?      ? 
1 1 1   13   34   -4 o  117.970   2.3810  3876.17  149.678  4457.25  278.489  3640.12  177.494  123.843   3.8936  112.097   2.7416 11.74650 4.761976 
1 1 1   13   35   -4 f   52.199   5.0964  797.147  153.642   0.0000   0.0000  797.147  153.642  ?   ?    52.199   5.0964      ?      ? 
1 1 1   13   36   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   37   -4 o   52.304   6.4411  832.997  188.885  738.866  245.942  968.362  294.930   48.420   9.1295   56.187   9.0887 -7.766525 12.88221 
1 1 1   13   38   -4 o   64.442   5.2309  1285.79  188.200  1386.01  243.918  1138.35  295.847   68.072   6.2042   60.812   8.4236 7.260437 10.46179 
1 1 1   13   39   -4 o   24.734   10.785   22.316  289.913   0.0000   0.0000   22.316  289.913  ?   ?    24.734   10.785      ?      ? 
1 1 1   13   40   -4 o   44.912   11.239  709.414  290.819   0.0000   0.0000  709.414  290.819  ?   ?    44.912   11.239      ?      ? 
1 1 1   13   41   -4 o   40.147   7.9028  527.284  176.714   0.0000   0.0000  527.284  176.714  ?   ?    40.147   7.9028      ?      ? 
1 1 1   13   42   -4 o   27.286   7.9508  190.709  193.865  169.523  238.140  232.338  333.816   25.596   10.366   28.976   12.059 -3.380217 15.90155 
1 1 1   13   43   -4 o   22.382   6.0052  138.502   95.114  138.840  107.763  137.310  202.333   21.206   7.2841   23.557   9.5494 -2.350792 12.01042 
1 1 1   13   44   -4 o   15.936   7.6437 -213.0879  202.746   0.0000   0.0000 -213.0879  202.746  ?   ?    15.936   7.6437      ?      ? 
1 1 1   13   45   -4 o   32.859   7.7402  372.125  144.471   0.0000   0.0000  372.125  144.471  ?   ?    32.859   7.7402      ?      ? 
1 1 1   13   46   -4 o   73.761   4.9024  1686.94  208.842   0.0000   0.0000  1686.94  208.842  ?   ?    73.761   4.9024      ?      ? 
1 1 1   13    0   -5 o  593.907   3.0856 101977.80  998.073 102107.20  1223.25 101720.10  1726.27  594.526   3.5628  593.288   5.0388 -0.000000 0.000000 
1 1 1   13    1   -5 o  188.851   1.9523 10148.08  178.746 10586.59  378.000 10021.78  202.860  191.424   3.4191  186.279   1.8856 5.145203 3.904568 
1 1 1   13    2   -5 o  298.273   1.6566 25699.65  285.333 25894.91  401.242 25499.91  405.841  299.420   2.3203  297.126   2.3650 2.293732 3.313137 
1 1 1   13    3   -5 o  421.556   2.7574 51334.18  671.335   0.0000   0.0000 51334.18  671.335  ?   ?   421.556   2.7574      ?      ? 
1 1 1   13    4   -5 o  132.394   2.2522  5061.69  159.716  5069.66  285.570  5058.07  192.667  132.459   3.7329  132.329   2.5210 0.1297150 4.504421 
1 1 1   13    5   -5 o  173.042   1.7397  8650.81  173.704  8687.92  240.758  8610.53  250.861  173.430   2.4037  172.654   2.5158 0.7762756 3.479465 
1 1 1   13    6   -5 o  156.152   2.0843  7085.02  184.309  6828.31  287.911  7263.26  239.910  153.735   3.2427  158.569   2.6197 -4.834259 4.168622 
1 1 1   13    7   -5 o  197.205   2.0456 11237.79  216.913 11226.88  384.818 11242.87  262.608  197.120   3.3802  197.290   2.3047 -0.1698456 4.091135 
1 1 1   13    8   -5 o  187.746   2.2097 10196.24  239.002 10373.40  328.215  9996.25  348.716  189.488   2.9991  186.004   3.2461 3.483932 4.419482 
1 1 1   13    9   -5 o   88.092   3.1063  2275.84  155.569  2003.18  232.481  2496.94  209.348   83.235   4.8361   92.949   3.8998 -9.714523 6.212597 
1 1 1   13   10   -5 o   26.158   7.9926 -25.3021  211.635 -57.9573  362.268  -8.3833  260.759   27.882   12.108   24.434   10.437 3.447729 15.98517 
1 1 1   13   11   -5 o   16.241   8.0217 -810.3250  185.613 -613.7686  273.936 -977.1641  252.380   16.241   8.0217  ?   ?       ?      ? 
1 1 1   13   12   -5 o  181.437   1.8298  9501.77  184.116  9541.75  306.981  9479.31  230.094  181.723   2.9249  181.150   2.1993 0.5725403 3.659523 
1 1 1   13   13   -5 o  238.950   2.1323 16498.82  294.062 16489.79  408.231 16508.56  423.946  238.885   2.9589  239.015   3.0711 -0.1299591 4.264630 
1 1 1   13   14   -5 o   95.498   3.4288  2641.33  185.020  2625.16  293.334  2652.01  238.432   95.236   5.3330   95.760   4.3112 -0.5238647 6.857661 
1 1 1   13   15   -5 o  205.353   1.5761 12180.21  186.882 12076.27  260.876 12289.79  267.842  204.454   2.2093  206.252   2.2485 -1.797989 3.152275 
1 1 1   13   16   -5 o  129.512   2.6824  4751.96  169.789  5035.98  356.198  4668.45  193.143  131.918   4.6752  127.105   2.6311 4.812866 5.364724 
1 1 1   13   17   -5 o   90.591   2.6509  2370.30  131.836  2383.53  224.824  2363.36  162.756   90.762   4.2890   90.419   3.1167 0.3428497 5.301767 
1 1 1   13   18   -5 o  186.162   1.7442  9995.02  179.424 10083.37  301.946  9946.79  223.081  186.777   2.7991  185.546   2.0817 1.230865 3.488351 
1 1 1   13   19   -5 o  236.110   1.9614 16043.54  250.842 16318.80  440.797 15911.72  305.051  237.561   3.2128  234.659   2.2509 2.901459 3.922787 
1 1 1   13   20   -5 f  148.111   2.3514  6482.98  157.705  6570.42  175.817  6122.97  356.747  150.797   2.0188  145.426   4.2475 5.370880 4.702838 
1 1 1   13   21   -5 f  183.114   2.0679  9697.97  218.621  9803.65  306.422  9588.41  312.006  184.133   2.8814  182.094   2.9668 2.039703 4.135709 
1 1 1   13   22   -5 o  254.506   2.1700 18719.73  318.962 18719.73  318.962   0.0000   0.0000  254.506   2.1700  ?   ?       ?      ? 
1 1 1   13   23   -5 o  203.042   2.3315 11916.59  273.407   0.0000   0.0000 11916.59  273.407  ?   ?   203.042   2.3315      ?      ? 
1 1 1   13   24   -5 o   67.042   3.2206  1303.97  124.562  1375.55  176.205  1232.47  176.108   68.890   4.4287   65.195   4.6772 3.695038 6.441220 
1 1 1   13   25   -5 o   18.486   8.5719 -464.0760  109.206 -184.8841  218.320 -557.2445  126.118   18.486   8.5719  ?   ?       ?      ? 
1 1 1   13   26   -5 o  188.238   2.3064 10356.04  223.851 10484.12  263.721 10025.87  423.411  190.432   2.3978  186.044   3.9406 4.388443 4.612795 
1 1 1   13   27   -5 o  180.681   2.3693  9438.02  247.239   0.0000   0.0000  9438.02  247.239  ?   ?   180.681   2.3693      ?      ? 
1 1 1   13   28   -5 o   22.599   6.3666   79.303  124.311   64.613  188.525   90.604  165.351   22.716   9.2146   22.482   8.7878 0.2346420 12.73320 
1 1 1   13   29   -5 o  168.624   2.2209  8140.88  204.729  7960.75  250.461  8503.57  355.395  165.903   2.6140  171.345   3.5913 -5.442276 4.441890 
1 1 1   13   30   -5 o   62.899   4.0114  1154.22  143.602  1137.56  221.974  1166.21  188.318   62.463   6.1531   63.336   5.1482 -0.8725739 8.022779 
1 1 1   13   31   -5 o  124.509   3.0653  4493.53  219.975  4605.99  323.188  4396.47  300.258  125.942   4.4433  123.077   4.2241 2.864700 6.130698 
1 1 1   13   32   -5 o   48.976   6.3111  836.295  124.815  562.479  302.829  892.330  136.992   42.528   11.875   55.425   4.2796 -12.89760 12.62225 
1 1 1   13   33   -5 o  128.114   3.1337  4849.11  227.903  5680.89  315.812  3945.26  329.211  139.862   3.9097  116.367   4.8985 23.49474 6.267436 
1 1 1   13   34   -5 o   46.584   6.0896  479.052  137.105  1070.91  317.359  343.239  152.024   59.802   9.1886   33.366   7.9939 26.43562 12.17922 
1 1 1   13   35   -5 o   40.149   5.2615  482.284  108.469  500.752  201.884  474.790  128.609   40.072   8.9492   40.225   5.5360 -0.1524773 10.52308 
1 1 1   13   36   -5 o   75.708   4.9886  1670.05  212.215  1553.22  266.883  1870.94  349.960   72.400   6.3826   79.016   7.6687 -6.615662 9.977267 
1 1 1   13   37   -5 o   85.032   4.1892  2207.50  198.543  2467.92  259.969  1843.02  307.556   91.581   4.9151   78.483   6.7852 13.09844 8.378395 
1 1 1   13   38   -5 o   15.840   7.8950 -688.2577  289.561   0.0000   0.0000 -688.2577  289.561  ?   ?    15.840   7.8950      ?      ? 
1 1 1   13   39   -5 o   69.258   7.5016  1479.18  300.062   0.0000   0.0000  1479.18  300.062  ?   ?    69.258   7.5016      ?      ? 
1 1 1   13   40   -5 o  ?   ?  -1379.2889  332.830   0.0000   0.0000 -1379.2889  332.830  ?   ?   ?   ?       ?      ? 
1 1 1   13   41   -5 o   62.750   5.3725  1219.94  192.229  1013.99  251.142  1511.31  298.711   56.429   7.7060   69.071   7.4881 -12.64193 10.74493 
1 1 1   13   42   -5 o   71.931   7.2914  1649.13  302.906   0.0000   0.0000  1649.13  302.906  ?   ?    71.931   7.2914      ?      ? 
1 1 1   13   43   -5 o   71.717   5.1044  1567.76  211.424   0.0000   0.0000  1567.76  211.424  ?   ?    71.717   5.1044      ?      ? 
1 1 1   13   44   -5 o   44.641   9.0061  699.589  224.187   0.0000   0.0000  699.589  224.187  ?   ?    44.641   9.0061      ?      ? 
1 1 1   13   45   -5 f   43.930   9.8049  717.047  242.462   0.0000   0.0000  717.047  242.462  ?   ?    43.930   9.8049      ?      ? 
1 1 1   13   46   -5 o   57.068   6.4475  1063.70  212.503   0.0000   0.0000  1063.70  212.503  ?   ?    57.068   6.4475      ?      ? 
1 1 1   13    0   -6 o   80.953   4.2774  1905.40  195.598  2283.89  292.287  1598.44  263.225   88.337   5.7860   73.570   6.3013 -0.000000 0.000000 
1 1 1   13    1   -6 o  222.662   1.8093 14285.97  179.931 14376.29  421.231 14265.81  199.000  223.071   3.2696  222.253   1.5503 0.8182526 3.618508 
1 1 1   13    2   -6 o  138.575   1.9412  5559.63  154.023  5448.66  232.411  5646.53  205.674  137.336   2.9301  139.814   2.5471 -2.477951 3.882446 
1 1 1   13    3   -6 o  237.564   1.9518 16334.99  239.929 16375.36  282.528 16230.59  454.378  238.109   2.0545  237.018   3.3193 1.091385 3.903696 
1 1 1   13    4   -6 o  197.667   1.4836 11321.22  167.812 11567.24  224.042 11006.80  253.285  200.124   1.9384  195.210   2.2466 4.914017 2.967243 
1 1 1   13    5   -6 o   91.082   3.0525  2384.42  132.594  2374.18  149.788  2421.50  285.025   90.655   2.8609   91.508   5.3931 -0.8530960 6.104911 
1 1 1   13    6   -6 o  134.951   1.6443  5220.02  119.776  5373.80  212.520  5148.44  144.999  136.390   2.6979  133.512   1.8804 2.878006 3.288591 
1 1 1   13    7   -6 o   69.053   3.9728  1426.82  136.993  1477.89  159.599  1283.87  267.017   71.511   3.8643   66.594   6.9425 4.916885 7.945518 
1 1 1   13    8   -6 o  209.153   1.9423 12622.40  216.120 12676.69  391.484 12598.60  259.196  209.459   3.2362  208.847   2.1489 0.6124268 3.884640 
1 1 1   13    9   -6 o   62.617   5.0621  1134.14  182.944  1085.40  253.575  1187.04  264.196   61.216   7.1723   64.019   7.1455 -2.802708 10.12422 
1 1 1   13   10   -6 o  175.471   2.2820  8891.46  229.842  8947.62  345.212  8846.74  308.045  175.962   3.3969  174.980   3.0482 0.9823914 4.564016 
1 1 1   13   11   -6 o  196.067   2.1333 11047.40  207.235 11225.59  421.952 10990.75  237.904  197.073   3.7072  195.061   2.1118 2.011490 4.266525 
1 1 1   13   12   -6 o  271.185   1.9462 21066.51  277.543 21687.11  516.142 20814.08  329.187  273.940   3.2623  268.429   2.1234 5.510895 3.892496 
1 1 1   13   13   -6 o  158.520   2.0764  7208.45  157.958  7166.74  178.811  7356.65  337.038  157.513   1.9656  159.527   3.6581 -2.013763 4.152760 
1 1 1   13   14   -6 f  152.551   1.8973  6605.42  147.486  6476.27  171.191  6977.33  290.496  149.731   1.9796  155.372   3.2373 -5.640732 3.794605 
1 1 1   13   15   -6 o   76.203   3.3696  1671.13  136.619  1656.73  163.611  1704.30  248.302   75.694   3.7425   76.711   5.6045 -1.016449 6.739210 
1 1 1   13   16   -6 o   74.190   3.7359  1591.73  160.077  1591.73  160.077   0.0000   0.0000   74.190   3.7359  ?   ?       ?      ? 
1 1 1   13   17   -6 o  241.462   1.7146 16842.16  239.110   0.0000   0.0000 16842.16  239.110  ?   ?   241.462   1.7146      ?      ? 
1 1 1   13   18   -6 f  161.641   1.9333  7542.01  149.292  7569.67  319.216  7534.27  168.902  161.788   3.4163  161.493   1.8109 0.2947388 3.866565 
1 1 1   13   19   -6 o  224.331   1.8906 14382.96  197.147 14822.85  440.455 14272.75  220.464  226.387   3.3687  222.274   1.7174 4.113144 3.781220 
1 1 1   13   20   -6 o   10.446   5.2633 -466.7142  146.625   0.0000   0.0000 -466.7142  146.625  ?   ?    10.446   5.2633      ?      ? 
1 1 1   13   21   -6 o  215.326   1.5007 13386.69  186.005 13544.86  275.185 13253.65  252.391  216.490   2.2009  214.162   2.0405 2.328003 3.001300 
1 1 1   13   22   -6 o  179.184   2.2501  9311.37  231.620  9042.38  342.963  9536.94  314.062  176.781   3.3591  181.588   2.9946 -4.806763 4.500175 
1 1 1   13   23   -6 o  139.020   2.1355  5604.42  170.685  5756.41  232.504  5426.77  251.367  141.082   2.8535  136.958   3.1779 4.123688 4.270960 
1 1 1   13   24   -6 o   73.503   3.3237  1576.37  137.773  1520.56  217.839  1613.57  177.863   72.376   5.2114   74.629   4.1266 -2.252937 6.647371 
1 1 1   13   25   -6 o   26.007   6.2058  170.686  104.922  239.935  186.137  138.436  127.025   29.142   9.5684   22.873   7.9054 6.269344 12.41169 
1 1 1   13   26   -6 o  185.519   1.6677  9948.86  178.674  9779.18  251.411 10122.02  253.977  183.921   2.3668  187.118   2.3501 -3.197708 3.335421 
1 1 1   13   27   -6 o  268.546   2.2371 20868.88  343.461 20869.40  454.586 20868.18  524.291  268.589   2.9305  268.502   3.3810 0.8731079E-01 4.474226 
1 1 1   13   28   -6 o  158.093   2.6622  7255.52  242.363  7482.99  333.545  7001.07  352.768  160.746   3.5928  155.441   3.9295 5.305786 5.324391 
1 1 1   13   29   -6 o   34.344   6.9711  363.306  126.307  274.363  297.889  382.802  139.464   33.093   12.038   35.595   7.0335 -2.501812 13.94228 
1 1 1   13   30   -6 o   63.400   3.9224  1165.42  143.623   0.0000   0.0000  1165.42  143.623  ?   ?    63.400   3.9224      ?      ? 
1 1 1   13   31   -6 o  105.430   3.7722  3254.68  227.839  3405.94  307.913  3071.64  338.710  108.217   4.9266  102.643   5.7136 5.573631 7.544341 
1 1 1   13   32   -6 o  104.612   3.5856  3173.35  216.155  3429.17  318.374  2954.59  294.410  108.504   5.0805  100.719   5.0612 7.784424 7.171277 
1 1 1   13   33   -6 o  123.598   2.7361  4372.66  185.702  4643.43  320.442  4235.75  227.867  126.334   4.3918  120.862   3.2644 5.471977 5.472149 
1 1 1   13   34   -6 o   57.035   4.7271  915.420  125.663  1034.12  284.751  886.711  140.038   58.901   8.3706   55.169   4.3951 3.732361 9.454273 
1 1 1   13   35   -6 o   65.738   5.0612  1283.69  191.730  1278.49  280.199  1288.27  262.920   65.550   7.4013   65.926   6.9053 -0.3761139 10.12236 
1 1 1   13   36   -6 o   51.190   4.8576  667.582  124.333  1026.45  269.691  570.720  140.111   58.373   7.9997   44.007   5.5127 14.36529 9.715179 
1 1 1   13   37   -6 o   27.847   6.7728  227.123  118.822  170.181  260.545  242.076  133.514   27.847   10.987   27.847   7.9234 0.9002686E-03 13.54563 
1 1 1   13   38   -6 o   74.205   4.6273  1667.75  197.219  1540.18  286.173  1783.15  272.172   71.290   6.9505   77.121   6.1106 -5.830894 9.254679 
1 1 1   13   39   -6 o   58.593   5.8656  1034.71  198.492   0.0000   0.0000  1034.71  198.492  ?   ?    58.593   5.8656      ?      ? 
1 1 1   13   40   -6 o   14.638   4.9488 -176.1604   94.884 -218.7321  109.227 -45.2383  191.547   10.426   5.1333   18.851   8.4623 -8.425303 9.897532 
1 1 1   13   41   -6 o   59.048   3.5319  1026.40  115.758  963.959  143.233  1143.99  196.558   56.819   4.3648   61.277   5.5540 -4.458336 7.063887 
1 1 1   13   42   -6 f   79.297   3.9397  1871.97  180.430   0.0000   0.0000  1871.97  180.430  ?   ?    79.297   3.9397      ?      ? 
1 1 1   13   43   -6 o   35.267   6.5927  453.821  113.196  467.337  121.968  369.862  303.987   39.002   5.4147   31.532   12.022 7.470659 13.18540 
1 1 1   13   44   -6 o   18.600   5.4406   48.127  101.834  127.465  130.034 -77.6976  163.757   20.975   7.8945   16.225   7.4886 4.749249 10.88123 
1 1 1   13   45   -6 o   54.411   6.8803  967.661  216.213   0.0000   0.0000  967.661  216.213  ?   ?    54.411   6.8803      ?      ? 
1 1 1   13    0   -7 o  199.421   2.2558 11489.86  259.740   0.0000   0.0000 11489.86  259.740  199.421   2.2558  199.421   2.2558 -0.000000 0.000000 
1 1 1   13    1   -7 o  349.901   2.2271 35445.77  423.077 35590.93  517.220 35152.24  735.474  351.014   2.5513  348.788   3.6511 2.226685 4.454170 
1 1 1   13    2   -7 o  222.711   1.4084 14325.15  178.311 14321.72  232.457 14330.06  277.934  222.682   1.8075  222.740   2.1605 -0.5726624E-01 2.816876 
1 1 1   13    3   -7 o  348.096   1.5849 35011.66  313.096 35066.11  406.827 34932.55  490.346  348.436   2.0216  347.755   2.4414 0.6802063 3.169787 
1 1 1   13    4   -7 o  141.106   2.2954  5775.41  172.275  5694.49  310.741  5811.32  206.999  140.375   3.8329  141.837   2.5269 -1.462387 4.590888 
1 1 1   13    5   -7 o   94.939   3.1076  2548.94  158.845  2760.23  286.454  2455.12  190.881   97.702   5.0765   92.175   3.5856 5.527153 6.215106 
1 1 1   13    6   -7 o  199.967   1.7318 11457.69  174.065 11739.79  347.618 11363.29  201.092  201.580   2.9859  198.353   1.7554 3.227432 3.463625 
1 1 1   13    7   -7 o  228.327   1.7052 14884.69  196.998 15422.47  390.502 14701.10  228.158  231.044   2.9265  225.611   1.7510 5.433060 3.410320 
1 1 1   13    8   -7 o  165.041   1.6289  7871.97  154.792  7819.70  227.608  7916.96  211.136  164.529   2.3953  165.553   2.2082 -1.024216 3.257848 
1 1 1   13    9   -7 o   56.389   5.7837  920.148  188.356  920.148  188.356   0.0000   0.0000   56.389   5.7837  ?   ?       ?      ? 
1 1 1   13   10   -7 f   14.685   7.1248 -322.7463  188.748 -322.7463  188.748   0.0000   0.0000   14.685   7.1248  ?   ?       ?      ? 
1 1 1   13   11   -7 o   79.659   3.3914  1833.96  156.029   0.0000   0.0000  1833.96  156.029  ?   ?    79.659   3.3914      ?      ? 
1 1 1   13   12   -7 o  206.955   2.1405 12379.54  255.689 12452.25  356.097 12302.16  367.362  207.585   2.9702  206.325   3.0829 1.260239 4.280921 
1 1 1   13   13   -7 o  165.702   2.4981  7928.80  237.103  7872.57  315.166  8002.13  359.897  165.037   3.3065  166.367   3.7456 -1.330780 4.996284 
1 1 1   13   14   -7 o  204.246   2.1818 12056.27  257.355 12128.08  366.249 11986.22  361.703  204.846   3.0957  203.646   3.0753 1.200333 4.363626 
1 1 1   13   15   -7 o  102.860   2.2403  3054.16  132.966  2964.84  183.323  3153.31  193.146  101.277   3.1342  104.444   3.2020 -3.167175 4.480584 
1 1 1   13   16   -7 o   36.588   5.5255  439.188  110.692  262.408  187.090  534.399  137.302   30.229   9.5647   42.947   5.5356 -12.71719 11.05103 
1 1 1   13   17   -7 o  146.321   1.7474  6187.90  147.635  6333.56  208.825  6042.34  208.750  148.044   2.4423  144.598   2.4997 3.446014 3.494753 
1 1 1   13   18   -7 o  145.504   2.3523  6131.60  196.884  6229.70  267.928  6016.44  290.287  146.781   3.1606  144.227   3.4850 2.554733 4.704675 
1 1 1   13   19   -7 o   75.691   3.5198  1647.93  144.655  1624.47  176.095  1696.61  253.665   74.914   4.0701   76.469   5.7437 -1.555008 7.039565 
1 1 1   13   20   -7 o   54.839   4.0973  791.076  111.914  721.021  126.691  1039.92  238.775   49.893   4.3967   59.785   6.9152 -9.892666 8.194593 
1 1 1   13   21   -7 o  108.159   2.2844  3368.63  140.023  3463.06  221.834  3306.08  180.531  109.396   3.5111  106.922   2.9235 2.473961 4.568875 
1 1 1   13   22   -7 o  130.355   2.1318  4863.55  142.818  4803.56  166.887  5027.69  276.061  128.916   2.2415  131.793   3.6268 -2.876953 4.263562 
1 1 1   13   23   -7 o  178.261   2.1800  9124.24  204.505  9028.12  242.790  9358.99  379.422  176.722   2.3788  179.801   3.6538 -3.079041 4.359933 
1 1 1   13   24   -7 o   26.714   7.8880  -8.2507  217.036  195.460  293.827 -252.8541  321.970   30.772   11.799   22.657   10.472 8.114506 15.77592 
1 1 1   13   25   -7 o  145.644   2.9661  6190.26  232.111  6267.45  281.739  6027.18  409.506  147.162   3.3149  144.126   4.9196 3.035919 5.932198 
1 1 1   13   26   -7 o  153.899   2.8467  6857.51  252.574  6936.66  369.302  6787.94  346.202  154.719   4.1329  153.079   3.9159 1.640457 5.693390 
1 1 1   13   27   -7 o  188.485   2.5633 10287.35  278.755 10918.26  397.359  9676.01  391.151  194.186   3.5431  182.783   3.7053 11.40335 5.126653 
1 1 1   13   28   -7 o   34.250   8.5417  314.058  208.245  244.402  342.846  354.781  262.143   33.505   12.769   34.996   11.348 -1.490650 17.08332 
1 1 1   13   29   -7 o   51.622   6.3618  741.121  150.467  903.679  340.886  701.785  167.687   54.159   11.265   49.085   5.9151 5.073761 12.72365 
1 1 1   13   30   -7 o  136.784   3.0706  5411.16  242.115  5769.71  355.832  5102.06  330.387  140.983   4.3701  132.584   4.3147 8.399139 6.141186 
1 1 1   13   31   -7 o   76.913   4.7968  1720.35  213.076   0.0000   0.0000  1720.35  213.076  ?   ?    76.913   4.7968      ?      ? 
1 1 1   13   32   -7 o   25.290   8.1412  184.732  135.100   0.0000   0.0000  184.732  135.100  ?   ?    25.290   8.1412      ?      ? 
1 1 1   13   33   -7 o   65.968   3.7691  1264.00  143.600   0.0000   0.0000  1264.00  143.600  ?   ?    65.968   3.7691      ?      ? 
1 1 1   13   34   -7 o   48.429   7.5673  744.951  205.687  676.460  303.351  803.238  279.839   46.085   11.448   50.772   9.8990 -4.686352 15.13460 
1 1 1   13   35   -7 o   59.917   5.9961  1080.04  207.230  1008.44  289.523  1155.25  296.745   57.827   8.6690   62.007   8.2863 -4.179878 11.99222 
1 1 1   13   36   -7 o   86.556   4.5678  2195.86  228.346   0.0000   0.0000  2195.86  228.346  ?   ?    86.556   4.5678      ?      ? 
1 1 1   13   37   -7 o   70.513   3.7273  1445.29  139.928  1538.11  255.937  1405.72  167.116   71.786   6.1732   69.240   4.1790 2.546555 7.454675 
1 1 1   13   38   -7 f   76.056   3.9644  1786.66  164.347  1521.61  269.618  1943.36  207.315   70.936   6.5811   81.175   4.4220 -10.23930 7.928747 
1 1 1   13   39   -7 o   69.019   4.8293  1418.72  192.502   0.0000   0.0000  1418.72  192.502  ?   ?    69.019   4.8293      ?      ? 
1 1 1   13   40   -7 o   33.454   8.2935  371.361  159.442   0.0000   0.0000  371.361  159.442  ?   ?    33.454   8.2935      ?      ? 
1 1 1   13   41   -7 o  ?   ?  -718.8059  193.062   0.0000   0.0000 -718.8059  193.062  ?   ?   ?   ?       ?      ? 
1 1 1   13   42   -7 o   14.694   4.9103 -129.3350  107.032 -45.1221  123.868 -377.5152  212.643   14.849   6.7224   14.539   7.1591 0.3100462 9.820621 
1 1 1   13   43   -7 o   25.341   6.0602  221.844  115.777  300.609  137.471   29.672  214.730   29.716   7.8811   20.966   9.2082 8.750851 12.12036 
1 1 1   13   44   -7 o   80.905   4.0243  1967.09  188.040   0.0000   0.0000  1967.09  188.040  ?   ?    80.905   4.0243      ?      ? 
1 1 1   13   45   -7 o   41.501   5.2071  504.903  104.801  436.900  118.431  750.379  225.012   37.303   5.4972   45.699   8.8451 -8.396057 10.41421 
1 1 1   13    0   -8 o  103.809   3.5159  3129.85  209.492  3311.92  303.141  2963.40  289.840  106.718   4.9425  100.899   5.0018 -0.000000 0.000000 
1 1 1   13    1   -8 o  123.178   2.9802  4437.24  179.846  4287.94  367.543  4484.24  206.220  121.769   5.2262  124.587   2.8660 -2.818024 5.960438 
1 1 1   13    2   -8 o  328.103   1.9825 30963.50  353.330 31498.92  617.506 30702.87  430.826  330.180   3.2382  326.026   2.2880 4.153778 3.964994 
1 1 1   13    3   -8 f  162.515   2.0682  7680.55  184.955  7462.81  311.112  7799.57  230.016  160.710   3.3519  164.320   2.4237 -3.609650 4.136370 
1 1 1   13    4   -8 o  426.545   2.0300 52563.71  500.072 52974.53  707.533 52153.65  706.883  428.211   2.8609  424.879   2.8807 3.332062 4.059949 
1 1 1   13    5   -8 o  226.180   2.1290 14776.65  278.115   0.0000   0.0000 14776.65  278.115  ?   ?   226.180   2.1290      ?      ? 
1 1 1   13    6   -8 o  278.911   2.3542 22474.74  378.977 22373.43  526.053 22584.05  546.438  278.260   3.2734  279.561   3.3844 -1.300598 4.708384 
1 1 1   13    7   -8 o  135.167   2.1965  5196.17  163.070  5020.90  199.998  5543.78  281.660  131.832   2.6268  138.503   3.5211 -6.671021 4.392968 
1 1 1   13    8   -8 o  261.540   1.8957 19642.36  273.792 19360.41  339.358 20168.08  463.398  258.885   2.2697  264.195   3.0370 -5.309814 3.791416 
1 1 1   13    9   -8 o   68.669   3.3280  1367.38  131.030  1332.13  196.140  1395.79  176.087   67.861   5.0045   69.478   4.3883 -1.616508 6.655990 
1 1 1   13   10   -8 o  217.393   1.7344 13678.03  188.010 13604.43  377.199 13702.36  216.870  216.979   3.0100  217.807   1.7240 -0.8281097 3.468767 
1 1 1   13   11   -8 o  293.880   2.2490 24957.59  381.647 24849.98  534.128 25069.84  545.515  293.235   3.1539  294.526   3.2070 -1.290436 4.497966 
1 1 1   13   12   -8 o  211.429   2.2417 12914.19  273.734 12914.19  273.734   0.0000   0.0000  211.429   2.2417  ?   ?       ?      ? 
1 1 1   13   13   -8 o  348.570   2.5355 35138.09  510.123 35471.37  711.243 34785.02  732.053  350.281   3.5157  346.859   3.6543 3.421143 5.070925 
1 1 1   13   14   -8 o  150.635   1.9050  6554.88  165.733  6554.88  165.733   0.0000   0.0000  150.635   1.9050  ?   ?       ?      ? 
1 1 1   13   15   -8 o   20.515   6.5540 -104.0769  156.101 -74.9364  189.133 -166.3434  276.469   19.062   8.4931   21.969   9.9843 -2.907534 13.10799 
1 1 1   13   16   -8 o  149.434   2.4129  6410.05  187.241  6565.00  355.131  6350.38  220.358  150.631   4.0821  148.236   2.5739 2.395248 4.825848 
1 1 1   13   17   -8 o  192.395   1.7976 10792.92  175.189 10897.67  204.146 10500.24  341.240  194.221   1.8199  190.570   3.1004 3.651505 3.595110 
1 1 1   13   18   -8 o  153.956   1.9052  6848.10  169.399   0.0000   0.0000  6848.10  169.399  ?   ?   153.956   1.9052      ?      ? 
1 1 1   13   19   -8 o  106.459   3.0552  3291.42  141.592  3296.31  155.634  3267.92  341.099  106.789   2.5234  106.129   5.5650 0.6600723 6.110361 
1 1 1   13   20   -8 o  321.580   2.0179 29975.70  348.029 29706.86  619.109 30099.90  420.814  320.443   3.3453  322.717   2.2578 -2.274872 4.035896 
1 1 1   13   21   -8 o  110.221   1.8858  3510.57  118.640  3499.44  156.173  3525.75  182.436  110.025   2.4577  110.417   2.8608 -0.3921051 3.771551 
1 1 1   13   22   -8 o   71.948   4.4660  1500.34  185.577  1500.34  185.577   0.0000   0.0000   71.948   4.4660  ?   ?       ?      ? 
1 1 1   13   23   -8 o  232.107   2.4381 15593.83  322.635 15599.75  423.752 15585.67  497.655  232.202   3.1598  232.013   3.7139 0.1892700 4.876218 
1 1 1   13   24   -8 o  222.777   2.3450 14337.68  300.822 14055.40  408.278 14672.91  444.935  220.398   3.2075  225.156   3.4216 -4.758163 4.689909 
1 1 1   13   25   -8 o  125.885   3.2367  4504.51  230.034  5015.14  374.141  4194.17  291.678  131.466   4.9276  120.305   4.1979 11.16138 6.473339 
1 1 1   13   26   -8 o   75.445   2.9564  1646.64  128.819  1646.64  128.819   0.0000   0.0000   75.445   2.9564  ?   ?       ?      ? 
1 1 1   13   27   -8 o   98.926   2.8477  2831.08  162.704   0.0000   0.0000  2831.08  162.704  ?   ?    98.926   2.8477      ?      ? 
1 1 1   13   28   -8 o   81.890   4.0514  1924.05  185.503  2059.44  307.596  1846.67  232.552   84.052   6.3365   79.729   5.0503 4.323677 8.102873 
1 1 1   13   29   -8 o  164.184   2.4859  7819.67  235.286  7602.90  340.405  8017.96  325.578  161.984   3.6386  166.384   3.3881 -4.400406 4.971824 
1 1 1   13   30   -8 o   41.277   8.3551  525.178  215.939  678.613  297.878  355.243  313.486   46.748   11.183   35.806   12.417 10.94138 16.71027 
1 1 1   13   31   -8 o   62.161   4.6334  1141.64  131.086  1114.29  296.141  1148.30  146.187   61.428   8.3473   62.895   4.0245 -1.466187 9.266795 
1 1 1   13   32   -8 o   77.622   3.4437  1768.82  153.057  1897.35  208.485  1618.57  225.414   80.758   4.4700   74.486   5.2399 6.271591 6.887462 
1 1 1   13   33   -8 o   88.681   3.5963  2270.76  175.363  2213.91  215.850  2381.15  300.765   87.210   4.2855   90.151   5.7766 -2.941223 7.192645 
1 1 1   13   34   -8 o   52.928   5.8439  827.485  177.007  914.075  273.597  765.152  232.135   55.208   8.5807   50.647   7.9359 4.561108 11.68790 
1 1 1   13   35   -8 o   68.575   5.0855  1380.14  201.411  1380.14  201.411   0.0000   0.0000   68.575   5.0855  ?   ?       ?      ? 
1 1 1   13   36   -8 o  130.263   3.0117  4965.02  222.982  4948.99  290.530  4988.01  347.839  130.166   3.8646  130.360   4.6201 -0.1944122 6.023317 
1 1 1   13   37   -8 o   40.875   8.3673  561.782  208.305  539.951  282.825  587.665  307.954   40.117   11.569   41.633   12.091 -1.515648 16.73468 
1 1 1   13   38   -8 o   29.304   7.6603  243.855  166.947  294.013  274.814  214.518  210.175   31.201   11.529   27.407   10.090 3.793886 15.32058 
1 1 1   13   39   -8 o   53.447   5.9336  894.686  153.664  872.315  177.316  962.166  307.954   53.722   5.7149   53.172   10.401 0.5503426 11.86730 
1 1 1   13   40   -8 o   21.032   6.2332   67.824  124.742   98.461  152.752   6.4910  216.129   21.070   8.3806   20.995   9.2291 0.7569695E-01 12.46642 
1 1 1   13   41   -8 o   53.187   6.4809  943.543  188.847  903.282  239.371  1009.91  307.329   52.912   7.8331   53.463   10.327 -0.5505180 12.96177 
1 1 1   13   42   -8 o   40.583   7.7625  547.251  175.313   0.0000   0.0000  547.251  175.313  ?   ?    40.583   7.7625      ?      ? 
1 1 1   13   43   -8 o   31.556   6.7193  370.246  132.637  407.081  161.025  292.512  233.920   34.388   8.2195   28.724   10.632 5.663580 13.43868 
1 1 1   13   44   -8 o   24.977   6.1367  214.544  108.159  232.025  138.509  187.228  173.142   25.855   8.2349   24.098   9.1007 1.756317 12.27346 
1 1 1   13   45   -8 o   23.641   6.3679  184.805  118.761  178.293  152.647  194.793  189.033   23.117   8.5822   24.165   9.4098 -1.048161 12.73574 
1 1 1   13    0   -9 o   75.736   3.8838  1671.25  166.873  1797.20  252.830  1574.03  222.127   78.246   5.6629   73.227   5.3167 -0.000000 0.000000 
1 1 1   13    1   -9 f   77.155   2.6507  1723.02  117.754  1756.87  161.255  1684.35  172.358   77.971   3.5809   76.339   3.9093 1.631493 5.301482 
1 1 1   13    2   -9 o  217.933   1.6034 13722.83  201.101 13677.30  296.935 13761.40  273.328  217.596   2.3628  218.270   2.1682 -0.6735992 3.206865 
1 1 1   13    3   -9 o   73.566   4.2397  1562.09  178.954  1531.97  238.704  1600.74  270.409   72.766   5.6799   74.365   6.2960 -1.599037 8.479453 
1 1 1   13    4   -9 o  183.552   1.8219  9731.12  193.141  9731.12  193.141   0.0000   0.0000  183.552   1.8219  ?   ?       ?      ? 
1 1 1   13    5   -9 f  162.113   2.8023  7598.36  262.301  7504.18  373.875  7689.64  368.092  161.122   4.0178  163.105   3.9076 -1.983322 5.604610 
1 1 1   13    6   -9 o  111.929   3.2581  3550.07  199.898  3401.97  244.227  3850.66  347.938  108.486   3.8980  115.373   5.2217 -6.887199 6.516155 
1 1 1   13    7   -9 o  147.410   1.8807  6310.44  153.924  6398.55  193.455  6158.42  254.105  148.829   2.2506  145.990   3.0137 2.839401 3.761381 
1 1 1   13    8   -9 o   87.805   3.0562  2231.18  124.424  2226.18  276.672  2232.44  139.306   87.708   5.4619   87.901   2.7440 -0.1934357 6.112426 
1 1 1   13    9   -9 o   89.348   3.2695  2334.52  131.000  2349.75  145.356  2268.65  302.311   90.179   2.7909   88.518   5.9134 1.661057 6.538913 
1 1 1   13   10   -9 o  190.360   1.9786 10374.75  201.585 10725.55  363.744 10219.25  242.177  192.639   3.2694  188.081   2.2295 4.558441 3.957199 
1 1 1   13   11   -9 o  234.240   1.8020 15801.93  235.971 15651.50  297.673 16056.32  387.100  232.760   2.2143  235.719   2.8434 -2.958679 3.603951 
1 1 1   13   12   -9 o  131.141   2.4137  5088.89  146.733  5171.43  164.936  4775.65  321.311  133.794   2.1345  128.488   4.3299 5.305817 4.827434 
1 1 1   13   13   -9 o  121.634   2.7192  4275.48  191.021  4275.48  191.021   0.0000   0.0000  121.634   2.7192  ?   ?       ?      ? 
1 1 1   13   14   -9 o  109.354   2.8709  3477.53  160.495  3498.73  187.820  3420.14  308.990  110.021   2.9558  108.687   4.9224 1.333130 5.741725 
1 1 1   13   15   -9 o  177.658   1.9084  9118.27  195.809  9118.27  195.809   0.0000   0.0000  177.658   1.9084  ?   ?       ?      ? 
1 1 1   13   16   -9 o  167.028   2.5948  8062.15  250.185  8362.30  360.387  7782.93  347.591  170.026   3.6700  164.030   3.6691 5.995636 5.189550 
1 1 1   13   17   -9 o  205.630   2.2621 12228.65  268.604 12282.86  376.720 12172.59  383.087  206.097   3.1649  205.164   3.2330 0.9334412 4.524292 
1 1 1   13   18   -9 o   83.798   2.5267  2031.65  122.284  2040.36  173.421  2023.04  172.454   83.977   3.5757   83.620   3.5709 0.3569183 5.053401 
1 1 1   13   19   -9 o  235.007   2.1290 15960.11  288.968   0.0000   0.0000 15960.11  288.968  ?   ?   235.007   2.1290      ?      ? 
1 1 1   13   20   -9 o  108.089   3.3790  3401.34  201.710  3337.89  337.396  3436.64  251.630  107.238   5.4476  108.940   3.9993 -1.702980 6.758064 
1 1 1   13   21   -9 o  141.233   2.2103  5828.08  163.059  5907.97  193.771  5634.25  301.822  142.963   2.3468  139.504   3.7461 3.459351 4.420503 
1 1 1   13   22   -9 o  121.891   2.5892  4295.88  182.274   0.0000   0.0000  4295.88  182.274  ?   ?   121.891   2.5892      ?      ? 
1 1 1   13   23   -9 o  228.851   2.3117 15139.57  305.541   0.0000   0.0000 15139.57  305.541  ?   ?   228.851   2.3117      ?      ? 
1 1 1   13   24   -9 o   72.692   3.6620  1529.97  153.740   0.0000   0.0000  1529.97  153.740  ?   ?    72.692   3.6620      ?      ? 
1 1 1   13   25   -9 o  139.974   3.3024  5679.74  265.978  5720.38  394.095  5645.74  360.453  140.408   4.8599  139.540   4.4726 0.8678894 6.604754 
1 1 1   13   26   -9 o   55.954   4.4361  907.914  143.357   0.0000   0.0000  907.914  143.357  ?   ?    55.954   4.4361      ?      ? 
1 1 1   13   27   -9 o  116.213   2.9181  3907.54  195.859   0.0000   0.0000  3907.54  195.859  ?   ?   116.213   2.9181      ?      ? 
1 1 1   13   28   -9 o   74.509   5.2257  1623.07  224.696  1715.78  322.980  1536.12  312.801   76.580   7.3025   72.438   7.4768 4.142822 10.45131 
1 1 1   13   29   -9 o   20.128   6.5584 -119.7381  135.042 -80.6616  312.717 -128.6956  149.722   24.983   11.037   15.273   7.0879 9.710745 13.11686 
1 1 1   13   30   -9 o   81.991   4.8524  1994.25  226.369  2323.99  315.096  1642.54  325.423   89.205   6.1160   74.777   7.5352 14.42738 9.704885 
1 1 1   13   31   -9 o   51.843   6.7715  875.931  184.171  634.184  307.630  1010.98  229.930   44.982   11.723   58.705   6.7817 -13.72285 13.54294 
1 1 1   13   32   -9 o  116.598   3.3898  3961.99  228.040  3963.34  315.535  3960.51  329.942  116.643   4.6838  116.553   4.9015 0.8972931E-01 6.779603 
1 1 1   13   33   -9 o   90.227   3.6138  2350.42  184.061  2516.26  297.390  2247.46  234.338   92.675   5.5562   87.779   4.6224 4.895828 7.227557 
1 1 1   13   34   -9 o  122.796   2.7170  4368.64  186.920  4481.25  305.493  4301.25  236.320  123.935   4.2680  121.656   3.3634 2.279198 5.433981 
1 1 1   13   35   -9 o  119.084   3.2447  4154.23  222.604  4153.27  326.412  4155.07  304.362  119.011   4.7489  119.157   4.4227 -0.1461639 6.489370 
1 1 1   13   36   -9 o   85.069   4.7259  2178.78  230.367  2278.83  311.898  2058.69  341.717   87.453   6.1752   82.686   7.1557 4.767403 9.451815 
1 1 1   13   37   -9 o   23.984   7.2323   35.143  166.203  129.125  292.533  -9.6551  201.967   27.392   11.335   20.575   8.9861 6.816774 14.46462 
1 1 1   13   38   -9 o   61.921   6.4086  1224.04  222.960  1231.60  285.962  1212.31  356.067   62.882   7.8741   60.961   10.113 1.920944 12.81726 
1 1 1   13   39   -9 o   18.662   6.3030 -280.4096  189.370 -200.2650  280.193 -347.8019  256.936   20.108   9.4500   17.216   8.3432 2.892241 12.60602 
1 1 1   13   40   -9 o   48.558   5.4047  771.299  143.530  837.255  188.981  681.390  220.642   52.055   6.2860   45.062   8.7936 6.992706 10.80933 
1 1 1   13   41   -9 o   22.647   6.9899   38.672  143.253   3.9606  161.462  167.054  310.519   18.291   8.0103   27.004   11.457 -8.712975 13.97981 
1 1 1   13   42   -9 o   38.146   5.3544  480.279  115.542  555.897  164.109  405.951  162.702   41.844   6.7908   34.448   8.2803 7.395145 10.70878 
1 1 1   13   43   -9 o   24.582   6.2480  194.387  115.966  257.997  162.352  128.125  165.701   27.176   8.9368   21.988   8.7340 5.188211 12.49599 
1 1 1   13   44   -9 o   28.712   6.0324  290.327  113.882  171.611  159.049  415.221  163.135   23.176   8.7294   34.247   8.3281 -11.07096 12.06484 
1 1 1   13   45   -9 o   18.208   6.0949 -74.3687  140.404 -63.7611  157.622 -115.1210  308.947   15.858   7.3287   20.559   9.7406 -4.700675 12.18974 
1 1 1   13    0  -10 o  252.723   2.2939 18144.09  331.815 21442.49  508.540 15698.78  437.866  272.392   3.2336  233.053   3.2546 -0.000000 0.000000 
1 1 1   13    1  -10 o  227.802   1.8140 15057.94  228.484 14760.98  381.237 15224.39  285.424  226.027   2.9205  229.576   2.1527 -3.549500 3.628089 
1 1 1   13    2  -10 o  394.022   2.8500 44877.18  647.417 44937.01  944.403 44824.12  889.255  394.258   4.1476  393.787   3.9100 0.4708862 5.700042 
1 1 1   13    3  -10 o  222.762   2.2228 14334.44  285.975 14334.44  285.975   0.0000   0.0000  222.762   2.2228  ?   ?       ?      ? 
1 1 1   13    4  -10 o  123.363   3.1476  4409.46  215.713  4368.04  356.999  4433.29  270.724  122.883   5.0303  123.844   3.7850 -0.9606171 6.295218 
1 1 1   13    5  -10 o  136.149   2.3900  5354.95  187.929   0.0000   0.0000  5354.95  187.929  ?   ?   136.149   2.3900      ?      ? 
1 1 1   13    6  -10 o  228.664   2.1086 15108.98  278.431 15118.72  390.886 15098.95  396.700  228.740   2.9588  228.588   3.0049 0.1518860 4.217100 
1 1 1   13    7  -10 o  131.635   2.5163  4912.71  171.906  4795.06  201.538  5226.90  329.349  128.824   2.7088  134.446   4.2415 -5.621719 5.032695 
1 1 1   13    8  -10 o  189.496   1.7943 10351.23  173.086 10325.10  201.611 10424.47  337.538  189.065   1.8464  189.927   3.0772 -0.8618317 3.588602 
1 1 1   13    9  -10 f  108.504   1.8581  3410.98  109.729  3373.91  189.698  3429.61  134.518  108.049   3.0399  108.959   2.1376 -0.9095383 3.716226 
1 1 1   13   10  -10 o   85.582   2.4669  2091.41  119.225  2000.43  151.867  2237.56  192.481   83.194   3.1607   87.969   3.7885 -4.775635 4.933877 
1 1 1   13   11  -10 o  173.575   1.6043  8709.17  160.536  8786.74  221.066  8622.61  233.508  174.396   2.1948  172.754   2.3404 1.641953 3.208534 
1 1 1   13   12  -10 o  221.920   2.3191 14234.17  297.196 14516.00  423.665 13961.12  417.012  224.083   3.2736  219.758   3.2856 4.325485 4.638102 
1 1 1   13   13  -10 o  206.449   2.2197 12328.05  263.172 12387.38  354.330 12255.05  393.035  207.016   2.9636  205.883   3.3054 1.132813 4.439443 
1 1 1   13   14  -10 o  260.944   2.1598 19685.18  325.043 19694.12  448.087 19675.24  472.221  261.014   2.9724  260.874   3.1342 0.1403503 4.319572 
1 1 1   13   15  -10 o  203.639   1.5175 11997.20  178.093 11726.41  258.855 12240.58  245.405  201.450   2.2249  205.829   2.0644 -4.378189 3.035089 
1 1 1   13   16  -10 o  101.401   2.8544  2963.91  154.272  3006.92  279.141  2945.00  185.111  101.885   4.7438  100.917   3.1760 0.9683533 5.708841 
1 1 1   13   17  -10 o   64.545   4.8029  1187.33  167.051  1146.72  201.060  1277.87  300.187   62.872   5.5371   66.218   7.8493 -3.346035 9.605741 
1 1 1   13   18  -10 o  188.157   2.4335 10233.18  264.447   0.0000   0.0000 10233.18  264.447  ?   ?   188.157   2.4335      ?      ? 
1 1 1   13   19  -10 o  157.390   2.0193  7158.33  183.550   0.0000   0.0000  7158.33  183.550  ?   ?   157.390   2.0193      ?      ? 
1 1 1   13   20  -10 o   51.532   4.6463  769.839  138.284   0.0000   0.0000  769.839  138.284  ?   ?    51.532   4.6463      ?      ? 
1 1 1   13   21  -10 o  188.113   2.0640 10226.88  224.245   0.0000   0.0000 10226.88  224.245  ?   ?   188.113   2.0640      ?      ? 
1 1 1   13   22  -10 o  141.123   2.6193  5699.61  199.829  5955.24  354.660  5580.72  241.877  143.352   4.2838  138.895   3.0152 4.456879 5.238534 
1 1 1   13   23  -10 o  186.551   2.5592 10079.95  275.605 10344.83  387.865  9809.81  391.691  189.036   3.5526  184.066   3.6846 4.970459 5.118318 
1 1 1   13   24  -10 o   18.963   6.3842 -187.0917  132.277 -178.3530  330.176 -188.7624  144.369   24.163   10.954   13.763   6.5601 10.40018 12.76834 
1 1 1   13   25  -10 o  148.425   2.7655  6443.15  204.954  6259.96  407.708  6505.10  237.089  146.879   4.8062  149.971   2.7373 -3.092545 5.531047 
1 1 1   13   26  -10 o  166.785   2.1490  8058.14  195.470  8022.33  337.052  8076.29  239.940  166.449   3.5061  167.121   2.4859 -0.6716461 4.297998 
1 1 1   13   27  -10 o   77.631   4.3682  1778.63  191.755  1631.63  296.066  1884.86  251.674   74.751   6.8579   80.511   5.4125 -5.759949 8.736455 
1 1 1   13   28  -10 o  154.054   2.9918  6887.72  259.822  6896.85  333.189  6873.56  415.034  154.262   3.7398  153.846   4.6710 0.4166565 5.983685 
1 1 1   13   29  -10 o  140.986   3.2500  5791.76  263.824  6087.19  365.578  5470.68  381.116  144.790   4.3718  137.183   4.8103 7.606934 6.500086 
1 1 1   13   30  -10 o   76.352   5.2747  1716.60  232.203  1793.75  324.515  1635.66  332.397   78.161   7.1888   74.544   7.7208 3.617943 10.54939 
1 1 1   13   31  -10 o  106.953   3.8649  3383.85  235.049  3967.88  327.661  2764.70  337.371  116.709   4.8611   97.197   6.0100 19.51214 7.729815 
1 1 1   13   32  -10 o  143.215   3.0382  5946.54  251.296   0.0000   0.0000  5946.54  251.296  ?   ?   143.215   3.0382      ?      ? 
1 1 1   13   33  -10 o  112.016   3.7094  3672.92  236.628  3663.63  309.793  3685.93  366.627  111.977   4.7903  112.056   5.6650 -0.7971191E-01 7.418845 
1 1 1   13   34  -10 o  103.201   3.6523  3128.43  217.338  3167.76  300.112  3085.06  315.165  103.936   4.9996  102.465   5.3257 1.470802 7.304678 
1 1 1   13   35  -10 o   89.010   3.4588  2320.72  167.976  2303.90  205.972  2354.10  290.253   88.785   4.0168   89.234   5.6320 -0.4481583 6.917680 
1 1 1   13   36  -10 o   17.926   5.8946 -154.2817  146.430 -117.0549  190.861 -207.5443  228.297   17.721   8.1444   18.130   8.5236 -0.4091129 11.78912 
1 1 1   13   37  -10 o   81.366   4.0594  2040.29  175.100  1825.07  307.370  2143.70  213.050   77.467   6.8700   85.266   4.3264 -7.798630 8.118793 
1 1 1   13   38  -10 o   25.179   7.6351   58.921  199.435  157.290  296.540 -22.3188  269.485   27.553   11.407   22.805   10.151 4.747192 15.27019 
1 1 1   13   39  -10 o   29.455   8.2477  238.893  216.781  373.517  294.845   80.488  319.826   32.848   11.972   26.063   11.347 6.785402 16.49540 
1 1 1   13   40  -10 o   40.991   8.9130  571.873  204.995   0.0000   0.0000  571.873  204.995  ?   ?    40.991   8.9130      ?      ? 
1 1 1   13   41  -10 o   18.807   6.1112 -75.2024  149.556   33.899  169.286 -463.1160  319.208   19.423   8.3557   18.191   8.9202 1.232729 12.22238 
1 1 1   13   42  -10 o   77.250   5.1673  1826.33  230.540   0.0000   0.0000  1826.33  230.540  ?   ?    77.250   5.1673      ?      ? 
1 1 1   13   43  -10 o   33.592   6.6966  427.607  136.722  474.642  170.741  343.548  228.255   37.014   8.2027   30.170   10.587 6.843954 13.39328 
1 1 1   13   44  -10 o   44.638   5.4718  675.095  137.793  613.369  186.575  749.162  204.377   42.010   7.9817   47.265   7.4869 -5.255634 10.94356 
1 1 1   13    0  -11 o  431.476   2.7170 53730.86  676.441 55698.84  979.883 51939.20  934.961  439.013   3.8653  423.938   3.8193 -0.000000 0.000000 
1 1 1   13    1  -11 o  189.760   1.4971 10395.20  163.937 10551.73  237.517 10252.78  226.556  191.122   2.1518  188.397   2.0822 2.724854 2.994258 
1 1 1   13    2  -11 o  112.304   2.3256  3581.67  145.844  3410.46  182.178  3887.22  243.376  108.641   2.9035  115.966   3.6338 -7.324966 4.651299 
1 1 1   13    3  -11 o  239.872   1.9009 16598.02  253.127 16720.10  421.422 16529.12  316.601  240.543   3.0335  239.201   2.2917 1.342392 3.801844 
1 1 1   13    4  -11 o  185.791   2.2447  9949.59  236.240  9844.38  304.858 10107.73  373.762  184.578   2.8598  187.004   3.4607 -2.425446 4.489374 
1 1 1   13    5  -11 o   93.733   3.0096  2540.20  154.997  2539.04  191.645  2542.40  263.543   93.722   3.5405   93.743   4.8677 -0.2102661E-01 6.019154 
1 1 1   13    6  -11 o  233.779   1.3841 15801.26  184.613 15879.04  243.217 15695.53  283.570  234.465   1.7961  233.094   2.1064 1.370316 2.768202 
1 1 1   13    7  -11 o   11.197   3.9789 -457.6592  110.824 -340.0350  134.661 -704.5400  195.091   10.932   5.4381   11.462   5.8096 -0.5303545 7.957702 
1 1 1   13    8  -11 o   85.817   2.5429  2133.82  125.730  2038.63  181.556  2221.54  174.286   83.969   3.7437   87.664   3.4424 -3.694511 5.085799 
1 1 1   13    9  -11 o   94.935   3.7922  2535.81  202.486  2928.62  334.742  2309.15  254.283  100.549   5.7643   89.321   4.9292 11.22803 7.584489 
1 1 1   13   10  -11 o  158.017   2.0691  7180.49  159.043  7283.65  332.409  7149.87  181.120  158.713   3.6264  157.321   1.9934 1.392746 4.138157 
1 1 1   13   11  -11 o  118.765   2.8075  3986.53  176.182  3855.85  208.714  4310.49  328.616  115.494   3.1290  122.036   4.6625 -6.542366 5.615093 
1 1 1   13   12  -11 o   99.265   2.9102  2848.14  166.839  2848.14  166.839   0.0000   0.0000   99.265   2.9102  ?   ?       ?      ? 
1 1 1   13   13  -11 o  187.850   1.7987 10220.35  188.413 10284.76  237.744 10111.58  308.944  188.666   2.1819  187.033   2.8601 1.633698 3.597300 
1 1 1   13   14  -11 o  102.074   2.2811  3018.71  134.158  3121.89  185.523  2905.62  194.231  103.911   3.0914  100.236   3.3551 3.674873 4.562177 
1 1 1   13   15  -11 o  210.766   2.0881 12942.96  229.501 13077.89  272.180 12611.02  426.896  212.737   2.2153  208.794   3.5401 3.942657 4.176111 
1 1 1   13   16  -11 o  125.105   2.4181  4626.97  145.142  4349.03  303.290  4709.53  165.300  122.552   4.2850  127.658   2.2420 -5.105759 4.836116 
1 1 1   13   17  -11 o  140.452   2.6682  5659.46  214.509  5358.81  282.102  6071.61  330.289  136.084   3.5893  144.821   3.9489 -8.736694 5.336413 
1 1 1   13   18  -11 o   95.670   2.8009  2655.78  154.068  2715.49  209.617  2585.62  227.215   96.856   3.7473   94.485   4.1638 2.370865 5.601720 
1 1 1   13   19  -11 o  104.087   3.8066  3136.71  228.830   0.0000   0.0000  3136.71  228.830  ?   ?   104.087   3.8066      ?      ? 
1 1 1   13   20  -11 o   87.563   3.5192  2237.82  175.879  2128.09  266.346  2322.68  234.204   85.613   5.3867   89.513   4.5303 -3.899345 7.038428 
1 1 1   13   21  -11 o   55.062   7.2519  1003.16  188.050  1089.23  216.511  738.789  379.436   61.195   6.1260   48.928   13.147 12.26701 14.50380 
1 1 1   13   22  -11 o   84.013   4.4344  2101.58  188.862  2156.89  221.257  1953.12  362.530   86.257   4.4414   81.769   7.6766 4.488434 8.868820 
1 1 1   13   23  -11 o   25.480   7.2646   40.877  161.631 -51.4710  199.518  217.197  275.688   20.137   8.8594   30.824   11.516 -10.68669 14.52928 
1 1 1   13   24  -11 o   50.165   6.5939  701.446  155.568  853.029  341.949  661.884  174.693   52.653   11.562   47.677   6.3442 4.975140 13.18779 
1 1 1   13   25  -11 o   45.334   6.5032  605.321  151.948  591.305  178.923  641.580  287.772   45.020   6.8814   45.649   11.037 -0.6286507 13.00636 
1 1 1   13   26  -11 o  118.799   2.3658  4105.35  153.214  4145.21  188.355  4027.41  263.409  119.708   2.7244  117.891   3.8687 1.816231 4.731700 
1 1 1   13   27  -11 f  233.639   2.4939 15870.25  334.496 16416.31  453.686 15219.89  495.124  238.104   3.2992  229.174   3.7408 8.929993 4.987784 
1 1 1   13   28  -11 o   91.775   4.5343  2471.85  234.907  2519.20  303.531  2401.13  370.931   92.991   5.6517   90.558   7.0922 2.433022 9.068637 
1 1 1   13   29  -11 o   66.569   4.0121  1291.38  152.901  1530.61  221.621  1074.06  211.222   72.491   5.2935   60.647   6.0304 11.84368 8.024127 
1 1 1   13   30  -11 o   66.006   6.7547  1349.12  238.955  891.328  336.247  1816.22  339.645   53.473   11.244   78.538   7.4879 -25.06529 13.50946 
1 1 1   13   31  -11 o  137.372   3.2018  5494.29  253.991  5474.46  355.788  5514.89  362.706  137.129   4.4924  137.616   4.5635 -0.4875641 6.403692 
1 1 1   13   32  -11 o  115.989   3.2966  3919.32  219.685  3980.80  328.967  3869.83  295.141  116.753   4.8787  115.226   4.4350 1.526871 6.593223 
1 1 1   13   33  -11 o   66.063   3.6624  1268.78  138.268  1351.16  214.102  1209.85  181.097   67.831   5.4653   64.295   4.8770 3.535683 7.324868 
1 1 1   13   34  -11 o  106.021   4.1693  3284.43  255.292   0.0000   0.0000  3284.43  255.292  ?   ?   106.021   4.1693      ?      ? 
1 1 1   13   35  -11 o   57.295   7.1077  987.571  235.194   0.0000   0.0000  987.571  235.194  ?   ?    57.295   7.1077      ?      ? 
1 1 1   13   36  -11 o   23.762   7.2562   13.748  157.081  135.319  321.068 -24.5094  180.109   28.399   11.823   19.126   8.4159 9.273569 14.51244 
1 1 1   13   37  -11 o   21.540   8.6982   85.859  167.177   0.0000   0.0000   85.859  167.177  ?   ?    21.540   8.6982      ?      ? 
1 1 1   13   38  -11 f   87.801   4.6005  2390.96  230.405  2678.86  317.527  2070.79  334.847   93.941   5.8525   81.661   7.0998 12.27987 9.201045 
1 1 1   13   39  -11 o   56.137   6.6512  980.024  215.642   0.0000   0.0000  980.024  215.642  ?   ?    56.137   6.6512      ?      ? 
1 1 1   13   40  -11 o   63.497   5.7336  1238.88  210.264   0.0000   0.0000  1238.88  210.264  ?   ?    63.497   5.7336      ?      ? 
1 1 1   13   41  -11 o   68.819   3.2711  1426.70  129.828  1536.68  188.018  1326.47  179.488   71.391   4.5601   66.247   4.6912 5.144066 6.542277 
1 1 1   13   42  -11 o   18.514   6.2855 -196.6846  153.860 -244.4521  175.443 -37.5822  320.190   14.090   6.8436   22.939   10.545 -8.848685 12.57093 
1 1 1   13   43  -11 o   24.480   8.9970  200.064  167.005   0.0000   0.0000  200.064  167.005  ?   ?    24.480   8.9970      ?      ? 
1 1 1   13   44  -11 o   40.774   10.026  644.816  234.442   0.0000   0.0000  644.816  234.442  ?   ?    40.774   10.026      ?      ? 
1 1 1   13    0  -12 f  229.445   2.3046 15218.65  305.073 15228.63  424.186 15207.95  439.076  229.527   3.2013  229.363   3.3162 -0.000000 0.000000 
1 1 1   13    1  -12 o  226.979   1.5458 14879.20  202.395 14803.95  279.109 14962.64  293.925  226.376   2.1348  227.581   2.2362 -1.205933 3.091617 
1 1 1   13    2  -12 o  149.999   2.0178  6505.35  174.686  6630.06  244.177  6374.60  250.014  151.475   2.7911  148.523   2.9146 2.951157 4.035521 
1 1 1   13    3  -12 o  214.139   2.3971 13254.59  296.435 13045.30  418.277 13465.78  420.174  212.440   3.4091  215.839   3.3707 -3.398941 4.794107 
1 1 1   13    4  -12 o  177.602   1.8963  9111.47  194.512   0.0000   0.0000  9111.47  194.512  ?   ?   177.602   1.8963      ?      ? 
1 1 1   13    5  -12 o   69.626   4.8509  1514.97  141.472  1249.80  340.246  1570.40  155.556   65.552   8.9871   73.700   3.6545 -8.148117 9.701735 
1 1 1   13    6  -12 o  154.158   2.6486  6863.29  234.252  6801.95  313.079  6941.31  353.080  153.387   3.5341  154.929   3.9460 -1.541458 5.297241 
1 1 1   13    7  -12 o  180.117   1.7412  9362.00  180.779  9555.55  265.155  9193.88  247.117  181.852   2.5246  178.383   2.3986 3.469345 3.482417 
1 1 1   13    8  -12 o  115.885   3.2581  3875.51  215.742  3814.36  284.036  3958.89  331.687  114.825   4.2831  116.946   4.9109 -2.121376 6.516221 
1 1 1   13    9  -12 o  297.425   1.9945 25579.86  320.452 25604.04  389.604 25529.27  563.427  297.687   2.2661  297.164   3.2829 0.5230713 3.989060 
1 1 1   13   10  -12 o  141.099   2.0653  5751.90  168.306  5751.90  168.306   0.0000   0.0000  141.099   2.0653  ?   ?       ?      ? 
1 1 1   13   11  -12 o  ?   ?  -641.3356  161.946   0.0000   0.0000 -641.3356  161.946  ?   ?   ?   ?       ?      ? 
1 1 1   13   12  -12 o   43.234   8.0835  561.497  194.420   0.0000   0.0000  561.497  194.420  ?   ?    43.234   8.0835      ?      ? 
1 1 1   13   13  -12 o  189.651   2.4022 10388.03  262.410 10215.13  356.928 10591.40  387.115  187.945   3.2882  191.356   3.5028 -3.411545 4.804374 
1 1 1   13   14  -12 o  189.656   2.0402 10294.74  211.227 10717.31  367.481 10086.23  258.130  192.498   3.3054  186.814   2.3925 5.684189 4.080375 
1 1 1   13   15  -12 o  234.706   1.8964 16010.63  248.009 15594.90  405.741 16258.60  313.364  232.226   3.0252  237.187   2.2876 -4.961060 3.792729 
1 1 1   13   16  -12 o  167.312   2.4883  8091.30  239.418  8008.67  323.198  8191.79  356.410  166.381   3.3634  168.243   3.6680 -1.862137 4.976609 
1 1 1   13   17  -12 o   68.904   4.5951  1351.04  179.285  1529.74  289.532  1239.91  228.327   72.486   6.9160   65.321   6.0522 7.164612 9.190290 
1 1 1   13   18  -12 o  164.633   2.5643  7851.47  242.835  7914.38  329.689  7776.87  359.026  165.373   3.4519  163.894   3.7930 1.479309 5.128540 
1 1 1   13   19  -12 f   85.786   4.0241  2131.61  199.375   0.0000   0.0000  2131.61  199.375  ?   ?    85.786   4.0241      ?      ? 
1 1 1   13   20  -12 o   33.133   10.207  323.604  214.576   0.0000   0.0000  323.604  214.576  ?   ?    33.133   10.207      ?      ? 
1 1 1   13   21  -12 o  137.482   2.5032  5471.50  196.707  5470.97  260.185  5472.21  300.526  137.499   3.2764  137.466   3.7853 0.3269958E-01 5.006346 
1 1 1   13   22  -12 o   73.001   5.7424  1609.28  200.978  1467.80  415.897  1652.39  229.562   70.566   10.205   75.436   5.2691 -4.870430 11.48486 
1 1 1   13   23  -12 o  118.150   2.9638  3987.87  182.120  3914.93  214.116  4178.69  346.320  116.314   3.1874  119.986   4.9976 -3.672279 5.927504 
1 1 1   13   24  -12 o   97.413   2.4981  2743.93  140.544  2743.93  140.544   0.0000   0.0000   97.413   2.4981  ?   ?       ?      ? 
1 1 1   13   25  -12 o   98.129   3.5096  2805.81  196.668  2729.57  299.274  2863.77  260.917   96.907   5.3472   99.350   4.5472 -2.442894 7.019269 
1 1 1   13   26  -12 o  219.373   2.3937 13902.13  302.877 14623.75  442.354 13265.27  415.565  224.715   3.4084  214.031   3.3618 10.68353 4.787400 
1 1 1   13   27  -12 f  106.889   3.5004  3340.68  189.506  3279.76  369.672  3362.39  220.712  106.054   6.0354  107.724   3.5476 -1.670166 7.000780 
1 1 1   13   28  -12 o  168.465   2.7578  8214.12  268.323   0.0000   0.0000  8214.12  268.323  ?   ?   168.465   2.7578      ?      ? 
1 1 1   13   29  -12 o  105.194   4.4279  3182.85  266.727  3726.13  409.723  2783.28  351.380  112.847   6.2866   97.540   6.2375 15.30674 8.855897 
1 1 1   13   30  -12 o  185.721   2.7902  9939.06  298.076 11080.75  445.335  9012.47  401.198  195.305   3.9481  176.138   3.9439 19.16679 5.580465 
1 1 1   13   31  -12 o  101.730   4.1649  2883.95  238.299  3782.56  394.982  2369.67  298.807  113.535   6.0237   89.926   5.7534 23.60925 8.329822 
1 1 1   13   32  -12 o   83.430   4.7366  2033.84  228.228   0.0000   0.0000  2033.84  228.228  ?   ?    83.430   4.7366      ?      ? 
1 1 1   13   33  -12 o   87.452   4.3671  2286.47  198.366  2202.63  368.910  2320.57  235.273   85.848   7.4406   89.057   4.5742 -3.209412 8.734195 
1 1 1   13   34  -12 o  100.016   3.8540  2921.34  222.621   0.0000   0.0000  2921.34  222.621  ?   ?   100.016   3.8540      ?      ? 
1 1 1   13   35  -12 o   60.392   6.1116  1185.43  169.028  1045.62  347.155  1228.87  193.515   56.351   11.062   64.433   5.2002 -8.082104 12.22316 
1 1 1   13   36  -12 o   14.210   6.9112 -290.1538  180.540   0.0000   0.0000 -290.1538  180.540  ?   ?    14.210   6.9112      ?      ? 
1 1 1   13   37  -12 o   86.737   4.8645  2243.20  243.688   0.0000   0.0000  2243.20  243.688  ?   ?    86.737   4.8645      ?      ? 
1 1 1   13   38  -12 o   14.127   5.0718 -988.5804  212.702 -924.2751  280.824 -1075.1169  325.768   13.659   6.9283   14.595   7.4089 -0.9353991 10.14359 
1 1 1   13   39  -12 o   21.299   8.8534   78.698  179.639   0.0000   0.0000   78.698  179.639  ?   ?    21.299   8.8534      ?      ? 
1 1 1   13   40  -12 o   55.032   5.3234  970.701  168.080  832.938  230.360  1127.54  245.792   50.601   7.8824   59.463   7.1571 -8.861511 10.64687 
1 1 1   13   41  -12 o   15.401   5.3075 -340.4588  155.658 -518.8753  227.069 -182.2888  213.797   13.833   6.9100   16.969   8.0581 -3.135392 10.61510 
1 1 1   13   42  -12 o   28.112   7.2854  283.517  154.685  276.619  224.914  289.709  213.081   27.902   10.406   28.323   10.199 -0.4209557 14.57085 
1 1 1   13   43  -12 o   23.469   6.2541  153.779  138.538 -158.3210  242.180  305.585  168.902   18.124   8.5977   28.815   9.0848 -10.69115 12.50814 
1 1 1   13    0  -13 o   40.122   8.4081  628.158  210.997  1006.68  289.118  196.833  308.626   56.618   9.6951   23.626   13.740 -0.000000 0.000000 
1 1 1   13    1  -13 o   30.197   6.4337  271.766  122.367  202.725  195.411  316.304  156.949   28.010   9.7981   32.383   8.3409 -4.372931 12.86748 
1 1 1   13    2  -13 o  144.666   2.2931  5998.36  163.094  6147.34  336.532  5952.63  186.453  145.793   3.9967  143.540   2.2491 2.253143 4.586103 
1 1 1   13    3  -13 o  209.520   1.5798 12683.89  191.011 12709.15  264.907 12656.54  275.676  209.740   2.1869  209.301   2.2806 0.4388123 3.159664 
1 1 1   13    4  -13 o  149.590   2.1752  6579.85  168.174  6215.52  314.885  6725.25  198.920  146.611   3.7188  152.570   2.2575 -5.958939 4.350360 
1 1 1   13    5  -13 o  294.866   2.1318 25178.04  340.316 24994.09  594.965 25267.49  414.889  294.016   3.5038  295.715   2.4293 -1.698944 4.263524 
1 1 1   13    6  -13 o   79.628   4.2138  1802.92  175.891  1756.65  207.538  1920.89  331.382   77.908   4.6124   81.348   7.0534 -3.440018 8.427600 
1 1 1   13    7  -13 o  128.501   2.3000  4746.53  150.513  4716.28  175.200  4831.76  294.075  127.758   2.3744  129.244   3.9397 -1.485443 4.599905 
1 1 1   13    8  -13 o  270.634   2.0183 21121.77  300.305 21326.85  511.071 21013.62  371.136  271.597   3.2582  269.670   2.3829 1.926544 4.036581 
1 1 1   13    9  -13 o   52.288   4.0649  828.224  112.796  697.222  195.135  893.959  138.228   48.999   6.8955   55.578   4.3063 -6.579266 8.129704 
1 1 1   13   10  -13 o   89.106   2.7052  2303.66  138.439  2367.31  187.691  2227.72  205.019   90.469   3.5922   87.742   4.0458 2.726913 5.410350 
1 1 1   13   11  -13 o   13.532   6.4731 -198.5521  143.232 -198.5521  143.232   0.0000   0.0000   13.532   6.4731  ?   ?       ?      ? 
1 1 1   13   12  -13 o  151.195   2.3912  6656.79  187.545  6715.24  221.571  6509.10  352.203  152.427   2.5169  149.962   4.0665 2.464401 4.782427 
1 1 1   13   13  -13 o  145.954   2.3771  6149.16  187.797  6198.27  329.683  6125.58  228.491  146.342   3.9007  145.565   2.7178 0.7763367 4.754176 
1 1 1   13   14  -13 o  241.532   1.6536 16851.05  230.497 16621.43  319.051 17101.75  333.364  239.815   2.3036  243.249   2.3729 -3.434158 3.307130 
1 1 1   13   15  -13 o  258.127   2.2706 19270.82  338.441 18771.57  475.750 19782.34  481.559  254.739   3.2337  261.514   3.1884 -6.774704 4.541191 
1 1 1   13   16  -13 o   92.454   2.8128  2477.70  135.514  2481.10  160.281  2469.20  253.769   92.620   2.9963   92.288   4.7611 0.3323364 5.625511 
1 1 1   13   17  -13 o  164.173   2.7688  7794.07  262.526   0.0000   0.0000  7794.07  262.526  ?   ?   164.173   2.7688      ?      ? 
1 1 1   13   18  -13 o   87.055   4.4393  2210.47  204.789  2190.04  371.910  2219.36  245.332   86.637   7.4328   87.473   4.8562 -0.8363419 8.878534 
1 1 1   13   19  -13 f  148.203   2.7362  6351.83  234.201   0.0000   0.0000  6351.83  234.201  ?   ?   148.203   2.7362      ?      ? 
1 1 1   13   20  -13 o   60.684   6.0016  1090.80  207.267  1171.08  277.392  989.332  311.866   63.326   7.5845   58.042   9.3034 5.284199 12.00329 
1 1 1   13   21  -13 o  147.493   2.3612  6247.56  195.923  6506.58  317.931  6088.97  248.772  149.905   3.6723  145.082   2.9690 4.822983 4.722301 
1 1 1   13   22  -13 o   19.331   6.4106 -231.5284  174.544 -128.2030  209.259 -467.7941  316.432   19.020   8.6604   19.641   9.4540 -0.6209068 12.82115 
1 1 1   13   23  -13 o  206.865   2.2629 12371.00  270.356 12371.00  270.356   0.0000   0.0000  206.865   2.2629  ?   ?       ?      ? 
1 1 1   13   24  -13 o  137.099   2.4887  5407.55  160.521  5382.06  180.419  5504.40  351.620  136.439   2.2896  137.759   4.4195 -1.319550 4.977339 
1 1 1   13   25  -13 o  187.384   2.5319 10184.86  271.982 10287.91  364.217 10054.96  408.936  188.494   3.3456  186.274   3.8012 2.219574 5.063810 
1 1 1   13   26  -13 o   91.640   3.7360  2425.70  186.487  2391.68  227.788  2494.87  324.755   90.781   4.3446   92.499   6.0790 -1.718376 7.471954 
1 1 1   13   27  -13 o  122.806   2.6854  4326.46  187.644  4638.07  295.789  4116.59  242.742  126.432   4.0508  119.181   3.5266 7.250916 5.370816 
1 1 1   13   28  -13 o   22.302   8.8509   81.936  170.025   81.936  170.025   0.0000   0.0000   22.302   8.8509  ?   ?       ?      ? 
1 1 1   13   29  -13 o   93.315   4.2657  2531.45  229.895   0.0000   0.0000  2531.45  229.895  ?   ?    93.315   4.2657      ?      ? 
1 1 1   13   30  -13 f   25.684   7.6523   39.584  163.831   13.086  185.422  133.902  349.824   20.846   8.8497   30.521   12.486 -9.675426 15.30454 
1 1 1   13   31  -13 o  102.812   3.9584  3105.35  232.307  3064.82  355.322  3135.60  307.012  102.099   6.0258  103.524   5.1349 -1.425064 7.916875 
1 1 1   13   32  -13 o  103.928   3.8526  3146.53  231.245   0.0000   0.0000  3146.53  231.245  ?   ?   103.928   3.8526      ?      ? 
1 1 1   13   33  -13 o   25.748   8.0275 -39.1240  232.913 -78.7057  322.745   3.8934  336.460   24.739   11.053   26.757   11.644 -2.018869 16.05501 
1 1 1   13   34  -13 o   18.273   8.6442 -245.0010  241.473   0.0000   0.0000 -245.0010  241.473  ?   ?    18.273   8.6442      ?      ? 
1 1 1   13   35  -13 o   31.250   10.778  304.461  236.035   0.0000   0.0000  304.461  236.035  ?   ?    31.250   10.778      ?      ? 
1 1 1   13   36  -13 o   15.590   7.6479 -416.6304  235.389   0.0000   0.0000 -416.6304  235.389  ?   ?    15.590   7.6479      ?      ? 
1 1 1   13   37  -13 o   51.798   7.0896  930.564  187.277  832.567  343.595  971.982  223.374   47.567   12.385   56.028   6.9031 -8.460369 14.17918 
1 1 1   13   38  -13 o   25.091   7.5776   79.604  172.756  233.107  338.143   25.385  200.963   29.416   12.180   20.766   9.0179 8.649849 15.15527 
1 1 1   13   39  -13 o   45.909   7.0736  765.161  154.885  683.916  337.992  786.757  174.258   41.355   12.822   50.463   5.9791 -9.107914 14.14722 
1 1 1   13   40  -13 o   46.509   8.0278  829.530  212.773  754.792  333.785  880.688  276.154   43.258   12.595   49.759   9.9569 -6.500641 16.05569 
1 1 1   13   41  -13 o   16.495   7.6172 -81.9600  169.768   0.0000   0.0000 -81.9600  169.768  ?   ?    16.495   7.6172      ?      ? 
1 1 1   13   42  -13 o   16.906   5.7192 -182.9139  151.678 -201.3365  252.340 -172.4924  189.791   18.059   8.6256   15.754   7.5125 2.304688 11.43843 
1 1 1   13   43  -13 o   34.821   7.1244  481.242  149.549  458.790  252.568  493.364  185.579   33.013   11.153   36.629   8.8674 -3.615784 14.24889 
1 1 1   13    0  -14 o  148.660   2.1118  6405.46  173.421  6437.47  216.332  6347.89  290.099  149.218   2.5118  148.102   3.3956 -0.000000 0.000000 
1 1 1   13    1  -14 o  169.889   1.3127  8347.15  127.743  8412.79  170.445  8263.03  192.954  170.656   1.7293  169.122   1.9755 1.534058 2.625447 
1 1 1   13    2  -14 o  158.071   1.5482  7195.86  134.295  7145.13  165.546  7293.51  229.668  157.271   1.8226  158.870   2.5031 -1.599243 3.096303 
1 1 1   13    3  -14 o  313.564   2.2454 28408.59  406.640   0.0000   0.0000 28408.59  406.640  ?   ?   313.564   2.2454      ?      ? 
1 1 1   13    4  -14 o  160.948   2.1812  7465.03  174.754  7442.38  201.176  7534.65  352.753  160.496   2.1703  161.400   3.7843 -0.9045715 4.362455 
1 1 1   13    5  -14 o   94.152   2.8043  2594.15  148.619  2709.50  192.375  2423.39  234.064   96.799   3.4411   91.505   4.4290 5.294228 5.608651 
1 1 1   13    6  -14 o   77.472   4.4036  1733.64  188.023  1766.39  318.897  1716.19  232.790   77.978   7.0809   76.966   5.2370 1.012573 8.807129 
1 1 1   13    7  -14 o  106.649   2.7773  3163.99  125.333  3107.09  136.154  3479.91  320.805  103.696   2.2734  109.603   5.0680 -5.906830 5.554548 
1 1 1   13    8  -14 o   86.617   3.7807  2219.19  147.487  2246.90  164.135  2103.01  336.094   88.151   3.2240   85.083   6.8396 3.067131 7.561341 
1 1 1   13    9  -14 o   85.261   3.2732  2170.61  153.144  2346.75  193.655  1876.56  250.208   90.064   3.7230   80.457   5.3846 9.607742 6.546328 
1 1 1   13   10  -14 o   15.363   5.3270 -397.1926  146.856 -354.8932  248.037 -420.0243  182.229   17.621   8.4524   13.106   6.4858 4.514915 10.65408 
1 1 1   13   11  -14 o  143.049   2.3150  5897.97  142.225  5887.82  155.658  5949.31  349.989  142.753   1.8880  143.345   4.2275 -0.5923157 4.629945 
1 1 1   13   12  -14 o   80.534   3.4831  1876.44  162.009  1876.44  162.009   0.0000   0.0000   80.534   3.4831  ?   ?       ?      ? 
1 1 1   13   13  -14 o  132.421   1.9053  5086.70  139.796  5130.72  174.991  5009.05  232.411  133.238   2.2741  131.604   3.0577 1.633972 3.810668 
1 1 1   13   14  -14 o   70.016   4.3204  1426.15  149.644  1421.73  303.602  1427.57  171.987   69.830   7.5280   70.203   4.2419 -0.3730545 8.640815 
1 1 1   13   15  -14 o   45.803   6.2835  667.787  146.132  725.212  173.944  530.031  269.411   49.952   6.0293   41.654   11.026 8.298492 12.56695 
1 1 1   13   16  -14 o  114.592   3.0414  3871.03  182.766  3967.87  218.459  3645.16  333.638  117.107   3.2300  112.078   5.1543 5.029480 6.082749 
1 1 1   13   17  -14 o  256.610   1.8572 19056.01  263.163 18985.82  442.157 19094.52  327.483  256.194   2.9883  257.025   2.2061 -0.8313293 3.714399 
1 1 1   13   18  -14 o  106.821   3.1092  3172.75  147.848  3522.39  355.649  3099.70  162.560  110.110   5.5925  103.531   2.7187 6.579300 6.218313 
1 1 1   13   19  -14 o  122.128   2.8646  4375.81  153.422  4236.78  363.815  4405.88  169.203  120.804   5.2145  123.452   2.3731 -2.647652 5.729110 
1 1 1   13   20  -14 o  105.496   3.2424  3182.04  155.938  3301.73  357.823  3153.98  173.256  106.569   5.8137  104.423   2.8728 2.146790 6.484748 
1 1 1   13   21  -14 o  106.081   3.7141  3258.83  227.553   0.0000   0.0000  3258.83  227.553  ?   ?   106.081   3.7141      ?      ? 
1 1 1   13   22  -14 o  101.453   4.5686  2938.94  240.983  3137.14  460.155  2864.04  282.876  103.575   7.6924   99.331   4.9309 4.244377 9.137114 
1 1 1   13   23  -14 o  167.397   2.8353  8106.64  274.120   0.0000   0.0000  8106.64  274.120  ?   ?   167.397   2.8353      ?      ? 
1 1 1   13   24  -14 o   73.413   5.0815  1632.69  203.591  1781.81  256.997  1381.42  333.607   78.246   5.6870   68.579   8.4228 9.666534 10.16291 
1 1 1   13   25  -14 o  123.378   2.5738  4408.35  169.899  4417.81  304.341  4404.06  204.779  123.394   4.2705  123.362   2.8742 0.3177643E-01 5.147688 
1 1 1   13   26  -14 o   69.657   4.8002  1441.17  161.342  1459.65  184.063  1379.89  335.219   70.891   4.4956   68.423   8.4828 2.467461 9.600440 
1 1 1   13   27  -14 o  109.195   2.2519  3455.84  141.845  3486.80  196.359  3422.06  205.126  109.716   3.0988  108.674   3.2682 1.041916 4.503745 
1 1 1   13   28  -14 o  146.027   2.6334  6231.14  204.487  6077.91  367.720  6299.73  246.039  144.574   4.4039  147.480   2.8886 -2.905930 5.266746 
1 1 1   13   29  -14 o   30.985   6.3804  240.562  107.274  186.108  122.210  423.400  223.935   25.051   7.7004   36.919   10.175 -11.86834 12.76070 
1 1 1   13   30  -14 f   46.963   5.7220  731.421  137.344  860.187  170.792  495.748  231.058   54.193   5.4568   39.733   10.059 14.45986 11.44394 
1 1 1   13   31  -14 f  173.984   2.7726  8792.13  272.200  8935.63  435.433  8700.08  348.740  174.990   4.3085  172.978   3.4908 2.012466 5.545133 
1 1 1   13   32  -14 o   44.030   6.1158  573.935  155.519  573.935  155.519   0.0000   0.0000   44.030   6.1158  ?   ?       ?      ? 
1 1 1   13   33  -14 o   70.692   5.0419  1350.07  171.528  1795.93  384.121  1239.03  191.703   76.563   8.6869   64.820   5.1207 11.74280 10.08382 
1 1 1   13   34  -14 o   74.438   4.9462  1601.95  185.888  1836.40  375.862  1526.04  213.876   77.108   8.4400   71.768   5.1600 5.340134 9.892370 
1 1 1   13   35  -14 o   49.707   7.3316  959.072  180.514  537.006  364.442  1096.28  207.794   39.060   13.397   60.353   5.9614 -21.29364 14.66312 
1 1 1   13   36  -14 o   28.340   9.3359  259.403  177.145   0.0000   0.0000  259.403  177.145  ?   ?    28.340   9.3359      ?      ? 
1 1 1   13   37  -14 o   68.486   4.8468  1407.38  191.710   0.0000   0.0000  1407.38  191.710  ?   ?    68.486   4.8468      ?      ? 
1 1 1   13   38  -14 o   42.909   7.0848  573.779  160.104  884.908  304.011  454.370  188.337   49.469   10.932   36.349   9.0153 13.12034 14.16965 
1 1 1   13   39  -14 o   54.672   6.0615  961.918  187.569  1161.36  304.611  840.111  238.054   58.742   8.9786   50.601   8.1457 8.141064 12.12300 
1 1 1   13   40  -14 o   26.979   6.8240  258.926  131.366 -15.5288  344.517  305.618  142.102   24.075   11.019   29.882   8.0522 -5.806694 13.64798 
1 1 1   13   41  -14 o   75.359   4.3700  1717.97  190.195   0.0000   0.0000  1717.97  190.195  ?   ?    75.359   4.3700      ?      ? 
1 1 1   13   42  -14 o   36.068   7.1645  457.511  139.748  625.233  281.478  402.645  160.991   38.532   11.655   33.604   8.3355 4.927685 14.32905 
1 1 1   13    0  -15 o  114.859   3.3042  3815.91  217.453  3652.10  292.090  4019.57  325.696  112.115   4.5277  117.603   4.8135 -0.000000 0.000000 
1 1 1   13    1  -15 o  153.773   1.8583  6832.54  164.489  6814.17  223.519  6854.24  242.938  153.553   2.5204  153.993   2.7315 -0.4402466 3.716690 
1 1 1   13    2  -15 o  166.569   1.7883  8029.00  171.296  7898.96  253.190  8138.77  232.615  165.317   2.6518  167.821   2.4000 -2.504074 3.576596 
1 1 1   13    3  -15 o   16.288   5.0526 -127.3255  105.688   61.894  142.377 -359.5494  157.729   20.328   8.0893   12.247   6.0562 8.080950 10.10515 
1 1 1   13    4  -15 o  180.739   2.0315  9492.92  207.826  9185.05  325.457  9704.90  270.056  178.231   3.1617  183.247   2.5517 -5.015289 4.062978 
1 1 1   13    5  -15 o  ?   ?  -990.7830  136.822 -1054.3690  197.419 -932.0121  189.797  ?   ?   ?   ?       ?      ? 
1 1 1   13    6  -15 o  185.911   1.5110 10003.05  154.992  9932.51  260.655 10041.63  192.775  185.386   2.4345  186.436   1.7903 -1.049881 3.021909 
1 1 1   13    7  -15 o   12.416   4.4540 -819.4169  161.030 -902.4744  248.835 -759.5710  211.222   12.900   6.5407   11.932   6.0475 0.9676466 8.908012 
1 1 1   13    8  -15 o  249.440   1.3560 17921.18  186.048 17795.23  229.937 18159.96  316.604  248.195   1.6041  250.686   2.1868 -2.490463 2.712021 
1 1 1   13    9  -15 o   69.255   3.2645  1378.67  126.441  1347.45  159.134  1432.14  208.239   68.225   4.0386   70.284   5.1300 -2.058464 6.528995 
1 1 1   13   10  -15 o  102.874   2.3863  3065.42  141.065  3021.91  209.505  3101.50  190.797  102.196   3.5496  103.553   3.1902 -1.356735 4.772525 
1 1 1   13   11  -15 o  100.243   3.3468  2995.75  167.581  3084.25  194.945  2745.19  328.004  103.257   3.2689   97.230   5.8411 6.026466 6.693576 
1 1 1   13   12  -15 o  107.513   2.2177  3345.54  123.355  3348.13  145.195  3338.83  233.868  107.627   2.3359  107.398   3.7704 0.2293091 4.435346 
1 1 1   13   13  -15 o   92.501   3.3760  2414.71  134.784  2581.46  334.146  2382.31  147.299   94.236   6.1395   90.765   2.8099 3.470634 6.751999 
1 1 1   13   14  -15 o  108.139   3.0325  3497.37  156.622  3193.81  326.718  3587.94  178.465  104.889   5.3934  111.389   2.7741 -6.499817 6.064989 
1 1 1   13   15  -15 o  122.968   2.1587  4375.55  153.260  4267.94  217.462  4481.74  216.029  121.462   3.1000  124.474   3.0050 -3.011902 4.317411 
1 1 1   13   16  -15 o  102.488   2.4252  3012.82  142.513  2828.02  188.434  3259.80  217.837   98.858   3.3004  106.119   3.5543 -7.261269 4.850310 
1 1 1   13   17  -15 f   70.008   3.2184  1387.50  128.575  1188.59  167.331  1674.24  200.903   64.028   4.5250   75.988   4.5778 -11.95962 6.436759 
1 1 1   13   18  -15 o  197.103   2.1841 11243.11  238.834 11227.83  397.266 11251.76  298.877  196.946   3.4926  197.259   2.6234 -0.3129883 4.368134 
1 1 1   13   19  -15 f  154.357   2.5816  6940.21  223.706  7081.99  286.268  6717.82  358.525  156.445   3.1683  152.269   4.0768 4.176025 5.163201 
1 1 1   13   20  -15 f   50.151   6.0546  817.737  131.379  646.097  292.988  860.935  146.984   45.823   11.172   54.479   4.6715 -8.655865 12.10919 
1 1 1   13   21  -15 o  155.413   2.3467  6983.07  210.631   0.0000   0.0000  6983.07  210.631  ?   ?   155.413   2.3467      ?      ? 
1 1 1   13   22  -15 o  175.833   2.8007  8943.96  284.419   0.0000   0.0000  8943.96  284.419  ?   ?   175.833   2.8007      ?      ? 
1 1 1   13   23  -15 o   26.570   8.0215 -10.6902  224.495 -365.1509  402.022  149.924  270.619   24.532   11.461   28.609   11.226 -4.077244 16.04294 
1 1 1   13   24  -15 o   58.701   6.2951  1005.37  213.420   0.0000   0.0000  1005.37  213.420  ?   ?    58.701   6.2951      ?      ? 
1 1 1   13   25  -15 o  151.152   2.0216  6629.81  173.865  6713.89  227.934  6512.81  268.870  152.333   2.5908  149.972   3.1042 2.361023 4.043288 
1 1 1   13   26  -15 o   69.093   5.4766  1529.69  189.155  1697.68  225.991  1136.64  345.677   76.358   5.1245   61.828   9.6805 14.52967 10.95323 
1 1 1   13   27  -15 o   50.373   5.5176  813.067  145.056  972.084  186.951  572.518  229.937   57.698   5.6102   43.048   9.5027 14.65015 11.03525 
1 1 1   13   28  -15 o   30.793   6.7552  278.584  127.563  269.005  156.419  297.604  220.418   29.741   8.6116   31.846   10.410 -2.104849 13.51044 
1 1 1   13   29  -15 f  118.911   2.4382  4106.45  167.388  3975.09  236.332  4238.69  237.115  116.993   3.4977  120.829   3.3978 -3.836060 4.876370 
1 1 1   13   30  -15 f  122.658   2.4172  4381.73  170.863  4620.92  238.773  4130.71  244.606  126.128   3.2779  119.189   3.5534 6.938698 4.834363 
1 1 1   13   31  -15 o   80.082   3.4696  1880.16  159.469  1887.32  239.390  1874.44  213.817   80.150   5.1715   80.013   4.6270 0.1375275 6.939258 
1 1 1   13   32  -15 o   79.641   2.9556  1878.82  131.396  1951.48  167.665  1763.15  211.532   81.809   3.5486   77.472   4.7276 4.336479 5.911275 
1 1 1   13   33  -15 o  108.553   3.5750  3443.23  224.129   0.0000   0.0000  3443.23  224.129  ?   ?   108.553   3.5750      ?      ? 
1 1 1   13   34  -15 o   73.524   3.7389  1596.00  150.752  1655.53  258.891  1565.46  185.432   74.211   6.0404   72.837   4.4080 1.373360 7.477779 
1 1 1   13   35  -15 f   56.150   7.5423  1147.08  221.874  803.529  371.643  1337.34  276.569   46.567   13.209   65.733   7.2851 -19.16575 15.08453 
1 1 1   13   36  -15 o   36.618   8.3239  372.612  185.327  810.479  368.323  224.174  214.451   45.974   13.186   27.261   10.162 18.71296 16.64785 
1 1 1   13   37  -15 o   32.704   8.1635  288.472  161.466  630.532  363.298  204.273  180.246   39.725   13.377   25.683   9.3609 14.04202 16.32700 
1 1 1   13   38  -15 o   22.795   9.6207   91.017  217.091   0.0000   0.0000   91.017  217.091  ?   ?    22.795   9.6207      ?      ? 
1 1 1   13   39  -15 o   15.950   5.7272 -525.2222  166.387 -364.9201  357.751 -569.4681  187.952   20.327   9.8496   11.574   5.8471 8.753442 11.45436 
1 1 1   13   40  -15 o   67.066   5.7532  1506.24  222.220  1590.29  310.946  1418.51  317.696   69.396   7.7583   64.735   8.4974 4.660965 11.50636 
1 1 1   13   41  -15 o   71.128   5.0569  1561.26  207.734   0.0000   0.0000  1561.26  207.734  ?   ?    71.128   5.0569      ?      ? 
1 1 1   13   42  -15 o   11.926   6.0111 -520.9283  192.141   0.0000   0.0000 -520.9283  192.141  ?   ?    11.926   6.0111      ?      ? 
1 1 1   13    0  -16 o  103.895   3.6363  3179.60  213.852  3398.01  286.161  2903.33  321.836  108.104   4.6024   99.686   5.6311 -0.000000 0.000000 
1 1 1   13    1  -16 o   99.910   3.5055  3041.06  149.851  2673.67  357.315  3119.47  165.068   95.941   6.4485  103.880   2.7514 -7.938622 7.010975 
1 1 1   13    2  -16 o  150.539   1.9181  6494.83  155.839  6708.07  276.763  6395.84  188.574  152.305   3.1463  148.772   2.1947 3.533035 3.836171 
1 1 1   13    3  -16 o  167.984   1.8456  8158.42  178.498  8135.40  262.842  8178.13  243.172  167.757   2.7129  168.211   2.5031 -0.4532623 3.691208 
1 1 1   13    4  -16 o  100.944   2.3942  2926.67  135.679  2861.64  171.780  3034.52  221.223   99.482   2.9898  102.406   3.7404 -2.923111 4.788499 
1 1 1   13    5  -16 o   46.487   4.1957  624.093  112.085  718.920  164.532  541.979  153.107   49.774   5.7235   43.201   6.1364 6.572872 8.391328 
1 1 1   13    6  -16 o   90.275   2.4386  2345.28  125.694  2279.33  164.691  2437.28  194.530   88.773   3.2122   91.776   3.6701 -3.002289 4.877236 
1 1 1   13    7  -16 o  195.882   2.0932 11158.62  209.822 11232.85  245.712 10958.73  403.211  197.155   2.1579  194.609   3.5874 2.546036 4.186437 
1 1 1   13    8  -16 o   29.527   7.3860  204.362  155.191  313.840  252.354  137.775  196.807   33.484   11.148   25.571   9.6917 7.912699 14.77201 
1 1 1   13    9  -16 o  106.844   3.1559  3268.80  176.554  3399.30  331.405  3217.08  208.625  108.243   5.3012  105.446   3.4257 2.797478 6.311761 
1 1 1   13   10  -16 o  169.269   1.6786  8275.09  162.859  8226.75  217.058  8337.35  246.347  168.714   2.2276  169.825   2.5117 -1.110611 3.357186 
1 1 1   13   11  -16 o   50.036   6.0086  724.038  159.605  805.130  282.056  685.842  193.578   51.542   9.8341   48.529   6.9066 3.012283 12.01711 
1 1 1   13   12  -16 o   30.001   7.2584  238.940  153.607  309.840  217.701  168.647  216.767   32.643   10.316   27.359   10.213 5.284449 14.51677 
1 1 1   13   13  -16 o  118.711   2.6904  3882.97  137.151  4381.78  346.700  3790.43  149.333  122.909   4.8841  114.514   2.2579 8.394089 5.380795 
1 1 1   13   14  -16 o  165.205   1.8563  7899.98  176.275  7804.60  261.544  7979.38  238.613  164.279   2.7566  166.131   2.4869 -1.851669 3.712632 
1 1 1   13   15  -16 o   80.776   2.4810  1885.27  114.637  1864.65  151.591  1912.82  175.202   80.273   3.2698   81.278   3.7323 -1.004784 4.962037 
1 1 1   13   16  -16 f  152.498   1.9380  6732.73  169.716  6656.07  253.173  6795.31  228.716  151.696   2.8897  153.300   2.5833 -1.603699 3.876051 
1 1 1   13   17  -16 o   72.429   4.0654  1546.87  162.086  1449.23  269.523  1602.18  202.871   70.536   6.6161   74.322   4.7263 -3.785789 8.130811 
1 1 1   13   18  -16 o   19.413   6.0197 -46.1239  126.090  -4.4662  203.176 -72.2170  160.801   21.503   9.1993   17.324   7.7667 4.178879 12.03944 
1 1 1   13   19  -16 o   86.608   3.1956  2141.91  148.321  2264.72  268.289  2087.86  177.995   88.302   5.2607   84.913   3.6295 3.389503 6.391291 
1 1 1   13   20  -16 o  229.141   2.0937 15113.43  264.671 15452.99  448.404 14931.87  327.880  231.043   3.3604  227.239   2.4983 3.804092 4.187341 
1 1 1   13   21  -16 o  188.388   2.0550 10261.55  214.328 10292.58  358.630 10244.30  267.319  188.557   3.2932  188.218   2.4591 0.3390656 4.110050 
1 1 1   13   22  -16 o  110.244   3.1840  3366.82  175.430  3218.50  200.525  3850.64  362.172  105.432   3.2931  115.057   5.4503 -9.624794 6.367903 
1 1 1   13   23  -16 o   39.860   8.1477  377.186  150.504  681.406  403.729  328.085  162.195   46.931   13.905   32.788   8.4961 14.14313 16.29547 
1 1 1   13   24  -16 o  100.955   3.6179  2939.68  183.181  3017.44  366.737  2913.83  211.447  101.652   6.2468  100.259   3.6517 1.393005 7.235802 
1 1 1   13   25  -16 o  109.815   3.6962  3497.48  234.422   0.0000   0.0000  3497.48  234.422  ?   ?   109.815   3.6962      ?      ? 
1 1 1   13   26  -16 o   83.473   5.3262  2035.37  253.850  2163.86  394.310  1944.42  331.741   85.604   7.9755   81.341   7.0616 4.262764 10.65245 
1 1 1   13   27  -16 o  101.731   2.9965  3013.40  175.567  2962.57  256.830  3057.98  240.548  100.895   4.4075  102.567   4.0608 -1.671768 5.992982 
1 1 1   13   28  -16 o   73.787   4.0254  1591.88  171.240  1658.73  251.442  1534.05  233.853   75.210   5.7886   72.365   5.5954 2.845840 8.050888 
1 1 1   13   29  -16 o   85.182   3.3046  2091.16  149.170  2048.56  177.689  2192.84  274.537   83.923   3.6660   86.440   5.4992 -2.517410 6.609139 
1 1 1   13   30  -16 o  109.066   2.3681  3478.29  144.053  3534.20  182.340  3385.45  234.967  110.343   2.8612  107.790   3.7744 2.552795 4.736299 
1 1 1   13   31  -16 o   57.790   3.7435  983.193  123.776  996.143  188.816  973.435  163.907   58.045   5.6324   57.536   4.9326 0.5089569 7.486910 
1 1 1   13   32  -16 o   40.108   6.8912  588.308  129.377  631.851  140.030  334.336  338.184   46.209   5.2469   34.007   12.745 12.20274 13.78241 
1 1 1   13   33  -16 o   83.965   2.4474  2061.37  118.442  2049.21  162.212  2075.26  173.347   83.733   3.3543   84.198   3.5648 -0.4651718 4.894773 
1 1 1   13   34  -16 f   92.164   3.6822  2535.22  184.060  2527.73  224.832  2550.44  320.505   92.502   4.2085   91.826   6.0434 0.6753693 7.364377 
1 1 1   13   35  -16 o   20.706   6.2033 -78.9787  143.946  208.785  217.420 -303.5499  192.070   26.878   10.187   14.534   7.0822 12.34348 12.40669 
1 1 1   13   36  -16 o   64.204   4.7714  1263.58  172.390  1191.60  218.081  1383.48  281.460   62.264   6.0646   66.144   7.3679 -3.880199 9.542765 
1 1 1   13   37  -16 o   33.349   7.8053  383.296  159.101  459.486  321.212  358.527  183.145   34.647   12.516   32.052   9.3292 2.594959 15.61057 
1 1 1   13   38  -16 o   23.225   6.6744  124.324  144.231   24.019  224.911  194.385  187.970   21.329   9.3944   25.121   9.4835 -3.792120 13.34884 
1 1 1   13   39  -16 o   43.384   5.3244  563.792  123.879  810.125  225.729  457.629  148.188   49.536   7.8901   37.232   7.1515 12.30431 10.64877 
1 1 1   13   40  -16 o   44.420   6.9453  717.982  142.151  725.495  330.226  716.274  157.490   40.993   12.668   47.846   5.6992 -6.853321 13.89057 
1 1 1   13   41  -16 o   14.006   4.8542 -286.3482  132.994 -269.8771  182.015 -305.2142  194.798   13.899   6.7987   14.114   6.9305 -0.2152414 9.708443 
1 1 1   13    0  -17 o   27.519   7.2610  340.151  129.849  426.428  150.000   82.192  259.371   35.787   8.3475   19.251   11.883 -0.000000 0.000000 
1 1 1   13    1  -17 o  169.641   2.0153  8315.71  197.448  8315.71  197.448   0.0000   0.0000  169.641   2.0153  ?   ?       ?      ? 
1 1 1   13    2  -17 o  146.561   1.7199  6205.71  143.955  6188.38  189.802  6229.17  220.879  146.331   2.2458  146.791   2.6054 -0.4609222 3.439735 
1 1 1   13    3  -17 o   53.630   5.6328  839.908  150.689  826.356  176.114  876.943  291.138   53.353   5.7155   53.908   9.7082 -0.5547371 11.26568 
1 1 1   13    4  -17 o  159.469   2.5796  7351.60  237.579   0.0000   0.0000  7351.60  237.579  ?   ?   159.469   2.5796      ?      ? 
1 1 1   13    5  -17 o  201.417   1.4837 11757.11  168.399 11878.89  216.273 11569.59  268.379  202.762   1.8468  200.072   2.3226 2.690262 2.967388 
1 1 1   13    6  -17 o   24.861   6.6122   98.767  134.607  -9.4794  178.608  241.080  204.794   20.053   8.6034   29.670   10.043 -9.616791 13.22443 
1 1 1   13    7  -17 o  102.217   3.2521  3136.96  160.033  3231.74  183.152  2831.00  329.058  105.707   3.0000   98.728   5.7709 6.978310 6.504136 
1 1 1   13    8  -17 o  190.843   2.0914 10503.68  222.468 10420.27  279.552 10647.72  367.378  189.851   2.5496  191.835   3.3159 -1.984512 4.182743 
1 1 1   13    9  -17 o  217.146   1.9097 13625.22  239.497 13625.22  239.497   0.0000   0.0000  217.146   1.9097  ?   ?       ?      ? 
1 1 1   13   10  -17 o   48.122   5.1503  691.444  138.021  583.244  197.880  793.956  192.608   44.006   8.0837   52.239   6.3841 -8.232513 10.30060 
1 1 1   13   11  -17 o   71.765   3.1659  1496.24  130.919  1577.51  182.723  1410.52  187.673   73.783   4.2879   69.747   4.6590 4.036110 6.331867 
1 1 1   13   12  -17 o  136.255   2.1415  5372.36  168.316  5408.18  232.761  5333.10  243.684  136.737   2.9474  135.772   3.1076 0.9651337 4.283052 
1 1 1   13   13  -17 o   82.537   3.3545  1960.24  159.054  2123.88  240.541  1833.11  212.022   85.564   4.8676   79.510   4.6172 6.054298 6.709064 
1 1 1   13   14  -17 o  144.764   1.7567  6040.61  145.701  6200.38  221.733  5919.21  193.289  146.433   2.6218  143.094   2.3388 3.339035 3.513428 
1 1 1   13   15  -17 o  158.622   2.4535  7364.75  203.541  7479.37  242.208  7089.27  375.514  160.828   2.6076  156.416   4.1568 4.412262 4.906990 
1 1 1   13   16  -17 o  184.665   1.6217  9851.08  171.651  9913.43  259.586  9802.64  228.818  185.173   2.4273  184.158   2.1514 1.014145 3.243460 
1 1 1   13   17  -17 o  141.876   1.8433  5816.99  140.211  5810.54  169.263  5831.09  250.290  141.788   2.0670  141.964   3.0527 -0.1764832 3.686617 
1 1 1   13   18  -17 o  142.307   2.3980  5855.23  197.091  5855.23  197.091   0.0000   0.0000  142.307   2.3980  ?   ?       ?      ? 
1 1 1   13   19  -17 o   91.705   2.7400  2462.59  136.895  2517.47  168.770  2357.03  234.062   93.267   3.1331   90.142   4.4959 3.125267 5.479954 
1 1 1   13   20  -17 o   81.325   4.5330  2052.43  189.512  2237.95  228.218  1640.32  340.131   87.825   4.4993   74.825   7.8707 12.99985 9.066012 
1 1 1   13   21  -17 o  223.128   1.9512 14525.75  218.438 14158.52  431.874 14651.99  253.215  221.111   3.3819  225.146   1.9473 -4.035172 3.902483 
1 1 1   13   22  -17 o  120.318   2.1843  4184.63  151.616  4324.04  220.865  4060.39  208.503  122.207   3.1293  118.430   3.0483 3.776390 4.368618 
1 1 1   13   23  -17 o  186.580   2.3319  9921.79  228.092  9704.11  269.364 10473.40  428.790  183.142   2.5466  190.019   3.9072 -6.876938 4.663836 
1 1 1   13   24  -17 o  152.042   3.3278  6756.70  290.104  6397.50  430.117  7056.48  392.938  148.241   5.0238  155.843   4.3657 -7.601700 6.655663 
1 1 1   13   25  -17 o   95.060   3.2785  2619.52  179.993   0.0000   0.0000  2619.52  179.993  ?   ?    95.060   3.2785      ?      ? 
1 1 1   13   26  -17 o   40.264   6.2920  428.471  134.041  733.890  252.800  309.025  158.094   48.825   9.3046   31.703   8.4724 17.12248 12.58401 
1 1 1   13   27  -17 o   79.091   5.3622  1830.40  244.939   0.0000   0.0000  1830.40  244.939  ?   ?    79.091   5.3622      ?      ? 
1 1 1   13   28  -17 o   16.227   5.6205 -305.8515  144.757 -243.0324  163.728 -530.7872  309.817   14.063   6.7771   18.390   8.9684 -4.326610 11.24109 
1 1 1   13   29  -17 o   71.370   4.5554  1546.39  171.452  1607.30  206.927  1413.00  306.220   74.063   4.8376   68.677   7.7204 5.386215 9.110826 
1 1 1   13   30  -17 o   27.358   7.4216   86.203  154.115 -18.0964  179.272  381.571  301.685   19.438   8.4783   35.278   12.184 -15.84007 14.84323 
1 1 1   13   31  -17 o   63.156   4.4666  1111.14  139.053  1354.81  295.785  1042.01  157.548   66.789   7.6680   59.523   4.5829 7.266815 8.933187 
1 1 1   13   32  -17 o  116.097   3.4980  4047.58  228.903  3702.70  355.874  4290.95  298.951  111.458   5.5284  120.737   4.2872 -9.279518 6.995968 
1 1 1   13   33  -17 o   69.115   2.5981  1403.31  103.592  1411.76  143.414  1394.10  149.796   69.362   3.5800   68.868   3.7662 0.4936447 5.196202 
1 1 1   13   34  -17 o   69.197   5.4874  1444.54  219.298  1444.54  219.298   0.0000   0.0000   69.197   5.4874  ?   ?       ?      ? 
1 1 1   13   35  -17 o   45.391   6.6754  729.781  160.161  598.175  283.541  791.449  194.091   40.305   11.572   50.478   6.6576 -10.17265 13.35082 
1 1 1   13   36  -17 o   23.017   6.7600  119.407  127.143 -60.5124  329.533  150.874  137.813   23.474   10.756   22.560   8.1908 0.9147491 13.52004 
1 1 1   13   37  -17 o   46.583   6.0073  741.518  154.882  894.380  214.031  573.471  224.411   53.046   6.9862   40.121   9.7747 12.92446 12.01465 
1 1 1   13   38  -17 o   38.457   7.3209  541.980  148.814  550.404  321.874  539.690  167.827   36.577   12.587   40.338   7.4792 -3.761669 14.64172 
1 1 1   13   39  -17 o   17.582   5.9834 -124.9053  131.500 -189.8651  322.082 -111.9108  144.053   20.752   9.8650   14.412   6.7739 6.340048 11.96676 
1 1 1   13   40  -17 o   26.308   7.5554  209.320  158.676  324.758  324.655  173.089  181.880   29.083   11.978   23.533   9.2117 5.549212 15.11087 
1 1 1   13    0  -18 o   48.280   8.5322  736.481  215.740  736.481  215.740   0.0000   0.0000   48.280   8.5322   48.280   8.5322 -0.000000 0.000000 
1 1 1   13    1  -18 o   56.150   5.2321  867.658  151.678  1035.91  300.097  809.927  175.784   59.495   8.7336   52.805   5.7639 6.690147 10.46414 
1 1 1   13    2  -18 o  144.776   2.6126  6197.37  197.659  5757.95  361.704  6384.46  236.016  140.961   4.4429  148.592   2.7502 -7.630524 5.225235 
1 1 1   13    3  -18 o  197.074   1.6358 11226.15  186.189 11248.82  262.966 11203.37  263.658  197.274   2.3080  196.874   2.3188 0.3998108 3.271692 
1 1 1   13    4  -18 o   17.756   5.7235 -132.7800  130.536 -200.7757  177.479 -52.6482  192.667   15.773   7.4460   19.738   8.6942 -3.964674 11.44693 
1 1 1   13    5  -18 o  153.673   2.0050  6871.67  167.472  6703.45  289.213  6956.53  205.416  152.211   3.2899  155.136   2.2926 -2.924957 4.009972 
1 1 1   13    6  -18 f  152.134   2.5690  6695.03  216.710  6682.79  270.820  6716.82  361.346  151.992   3.0851  152.276   4.1087 -0.2836456 5.138057 
1 1 1   13    7  -18 o   24.329   6.2619  141.811  113.853  131.007  156.450  153.975  165.998   23.676   8.7071   24.982   9.0017 -1.305433 12.52375 
1 1 1   13    8  -18 o   81.594   3.2992  1930.77  149.499  1929.26  248.090  1931.63  187.331   81.523   5.2692   81.666   3.9718 -0.1421127 6.598422 
1 1 1   13    9  -18 o   89.987   2.6932  2404.20  131.121  2168.57  223.515  2527.84  161.907   86.493   4.4745   93.481   2.9989 -6.988403 5.386461 
1 1 1   13   10  -18 o  116.257   2.6365  4050.30  137.780  3696.35  311.736  4136.23  153.596  112.889   4.7813  119.624   2.2232 -6.734589 5.272928 
1 1 1   13   11  -18 o  107.421   2.7681  3368.44  131.183  3301.52  309.708  3383.07  144.816  106.662   5.0276  108.181   2.3178 -1.518692 5.536125 
1 1 1   13   12  -18 o   73.355   4.6207  1606.17  182.563  1684.25  224.417  1453.38  313.914   76.176   5.1010   70.533   7.7061 5.643097 9.241388 
1 1 1   13   13  -18 o  136.700   3.0031  5405.93  237.096   0.0000   0.0000  5405.93  237.096  ?   ?   136.700   3.0031      ?      ? 
1 1 1   13   14  -18 o  158.398   2.0060  7256.77  183.146  7252.38  251.148  7261.76  267.655  158.355   2.7461  158.442   2.9250 -0.8625793E-01 4.012020 
1 1 1   13   15  -18 f  173.944   1.8863  8745.89  189.144  8683.98  259.234  8816.37  276.588  173.294   2.5901  174.595   2.7429 -1.301376 3.772610 
1 1 1   13   16  -18 o   95.363   2.7589  2641.96  147.280  2665.00  187.034  2604.35  238.944   95.951   3.3751   94.776   4.3653 1.174820 5.517890 
1 1 1   13   17  -18 o  120.784   2.1715  4182.12  148.833  4427.33  236.232  4020.73  191.655  123.672   3.3074  117.896   2.8147 5.776657 4.342968 
1 1 1   13   18  -18 f   29.896   9.0088  265.375  168.402   0.0000   0.0000  265.375  168.402  ?   ?    29.896   9.0088      ?      ? 
1 1 1   13   19  -18 o  192.732   1.9926 10736.98  221.796 10736.98  221.796   0.0000   0.0000  192.732   1.9926  ?   ?       ?      ? 
1 1 1   13   20  -18 o  201.429   2.6027 11737.04  302.778   0.0000   0.0000 11737.04  302.778  ?   ?   201.429   2.6027      ?      ? 
1 1 1   13   21  -18 o   73.622   4.3917  1591.07  161.606  1600.42  186.949  1563.43  321.452   74.250   4.3595   72.993   7.6251 1.256630 8.783411 
1 1 1   13   22  -18 o  123.580   3.0417  4478.79  180.863  4515.29  205.739  4354.65  379.445  124.892   2.8523  122.269   5.3734 2.622452 6.083489 
1 1 1   13   23  -18 o  121.451   2.0701  4271.60  145.206  4268.66  205.347  4274.54  205.357  121.410   2.9285  121.493   2.9267 -0.8379364E-01 4.140237 
1 1 1   13   24  -18 o  104.463   3.6769  3151.98  201.500  3110.07  238.647  3256.05  376.071  103.476   3.9933  105.450   6.1750 -1.974144 7.353736 
1 1 1   13   25  -18 o   37.088   6.6880  423.444  141.898  406.062  184.252  448.781  222.452   36.216   8.8776   37.960   10.005 -1.744251 13.37598 
1 1 1   13   26  -18 o  142.090   2.6725  5752.05  202.880  6178.19  370.272  5569.23  242.526  145.607   4.4031  138.575   3.0303 7.031876 5.345076 
1 1 1   13   27  -18 o   51.094   6.7005  895.700  155.290  646.109  327.747  967.952  176.340   44.732   12.302   57.457   5.3140 -12.72449 13.40103 
1 1 1   13   28  -18 o   43.896   7.1639  524.829  163.525  865.589  320.503  404.905  190.135   51.955   11.023   35.837   9.1536 16.11822 14.32783 
1 1 1   13   29  -18 o   18.468   6.1309 -215.3272  165.974 -557.7589  308.860 -76.2922  196.805   17.929   8.7882   19.007   8.5512 -1.078333 12.26189 
1 1 1   13   30  -18 o   85.497   2.9334  2122.99  140.683  2062.30  177.728  2224.80  230.218   84.016   3.6628   86.978   4.5829 -2.962135 5.866774 
1 1 1   13   31  -18 o   25.150   6.6836  165.016  127.353  137.785  223.179  178.165  155.080   25.431   10.125   24.868   8.7269 0.5630150 13.36720 
1 1 1   13   32  -18 o   12.794   6.3085 -336.7770  166.984 -336.7770  166.984   0.0000   0.0000   12.794   6.3085  ?   ?       ?      ? 
1 1 1   13   33  -18 o   53.891   6.1027  1103.77  128.633  1197.16  142.553  694.422  298.459   63.692   3.8753   44.090   11.574 19.60215 12.20549 
1 1 1   13   34  -18 o   17.001   5.4956 -101.5790  124.386   1.0981  173.652 -209.7725  178.255   18.996   8.3135   15.006   7.1897 3.989877 10.99114 
1 1 1   13   35  -18 o   39.152   6.5298  531.056  144.946  505.784  215.606  551.896  195.793   37.896   9.7837   40.408   8.6506 -2.512085 13.05965 
1 1 1   13   36  -18 f   52.038   6.4887  885.204  178.631  1044.48  318.948  812.408  215.622   53.786   10.644   50.290   7.4238 3.495590 12.97747 
1 1 1   13   37  -18 o   73.994   5.1391  1758.61  219.207  1878.58  322.098  1655.10  299.181   76.291   7.3102   71.697   7.2252 4.594055 10.27826 
1 1 1   13   38  -18 o   58.968   6.2118  1187.08  192.034  1216.40  333.889  1172.59  234.746   57.437   10.450   60.500   6.7183 -3.063057 12.42352 
1 1 1   13   39  -18 o   32.166   6.7946  328.830  158.956  707.134  246.598   59.903  207.916   43.326   10.050   21.005   9.1471 22.32169 13.58918 
1 1 1   13   40  -18 o   23.735   7.4716  116.276  192.351   96.695  368.864  123.589  225.428   24.820   11.376   22.649   9.6898 2.171844 14.94330 
1 1 1   13    0  -19 o   71.268   4.6158  1487.97  188.160  1487.97  188.160   0.0000   0.0000   71.268   4.6158   71.268   4.6158 -0.000000 0.000000 
1 1 1   13    1  -19 o   14.643   5.1790 -498.0073  150.100 -470.5024  177.186 -567.9111  282.472   12.281   6.1300   17.005   8.3493 -4.723606 10.35797 
1 1 1   13    2  -19 o  110.814   3.5006  3548.43  221.520  3471.81  290.776  3654.41  341.966  109.429   4.6009  112.199   5.2773 -2.770302 7.001254 
1 1 1   13    3  -19 o   59.818   5.1268  1029.45  174.060  1117.95  277.272  971.895  223.611   61.868   7.7599   57.768   6.7022 4.099876 10.25356 
1 1 1   13    4  -19 o   90.765   3.2436  2400.67  168.143  2300.89  254.638  2477.82  223.897   89.055   4.9509   92.476   4.1921 -3.421494 6.487278 
1 1 1   13    5  -19 o   52.846   5.9846  783.961  133.018  760.450  145.218  906.518  331.552   51.198   4.9111   54.493   10.915 -3.294384 11.96927 
1 1 1   13    6  -19 o   20.028   6.1148 -18.7638  128.977 -29.3146  177.299  -6.9047  187.971   19.427   8.4534   20.629   8.8376 -1.202499 12.22959 
1 1 1   13    7  -19 o  158.759   2.2835  7438.34  151.824  7505.95  165.635  7082.88  379.792  161.173   1.7794  156.344   4.2061 4.828308 4.566996 
1 1 1   13    8  -19 o   11.144   5.6095 -511.4605  164.326   0.0000   0.0000 -511.4605  164.326  ?   ?    11.144   5.6095      ?      ? 
1 1 1   13    9  -19 o   38.315   6.4112  484.004  139.911  584.333  169.938  272.917  246.496   44.794   6.5688   31.836   11.012 12.95753 12.82230 
1 1 1   13   10  -19 o   33.520   6.3114  377.336  139.321  509.986  163.057   18.608  268.145   41.836   6.7484   25.203   10.667 16.63355 12.62285 
1 1 1   13   11  -19 o   98.763   3.8297  2965.31  161.813  2637.73  386.816  3034.80  178.150   95.104   7.0424  102.422   3.0117 -7.318573 7.659366 
1 1 1   13   12  -19 o   81.146   3.5903  1906.45  168.260   0.0000   0.0000  1906.45  168.260  ?   ?    81.146   3.5903      ?      ? 
1 1 1   13   13  -19 o  142.164   1.7333  5826.22  141.437  5993.83  213.475  5695.08  188.828  143.972   2.5673  140.355   2.3295 3.617050 3.466634 
1 1 1   13   14  -19 o   74.614   3.6264  1586.99  146.602  1701.83  260.524  1533.77  177.346   76.486   5.8977   72.742   4.2214 3.744377 7.252748 
1 1 1   13   15  -19 o   65.386   3.4853  1237.62  124.712  1252.32  214.327  1230.09  153.346   65.624   5.6550   65.148   4.0755 0.4758606 6.970545 
1 1 1   13   16  -19 o  127.330   2.6637  4648.08  188.837  4878.55  315.162  4519.00  235.863  129.716   4.2068  124.944   3.2686 4.771950 5.327398 
1 1 1   13   17  -19 o   71.295   5.2511  1518.56  202.342  1582.80  249.127  1394.03  346.848   73.734   5.8502   68.856   8.7219 4.877357 10.50218 
1 1 1   13   18  -19 o  137.201   2.6362  5445.44  208.890   0.0000   0.0000  5445.44  208.890  ?   ?   137.201   2.6362      ?      ? 
1 1 1   13   19  -19 o   54.207   6.2110  920.179  180.843  689.603  276.924  1091.63  238.793   47.306   10.417   61.108   6.7661 -13.80196 12.42191 
1 1 1   13   20  -19 o   71.499   3.3510  1419.57  133.223  1731.15  228.667  1259.47  163.916   77.133   5.1331   65.865   4.3091 11.26827 6.701973 
1 1 1   13   21  -19 o  107.827   2.9715  3365.59  184.247  3484.24  275.586  3269.69  247.759  109.518   4.3570  106.137   4.0418 3.381615 5.943047 
1 1 1   13   22  -19 o   52.241   5.3776  838.166  152.703  1025.69  209.828  627.021  222.652   59.216   6.1354   45.267   8.8336 13.94889 10.75525 
1 1 1   13   23  -19 o   54.313   5.4514  869.831  168.519  879.015  261.945  863.346  220.119   54.457   8.3286   54.169   7.0359 0.2873497 10.90272 
1 1 1   13   24  -19 o   44.560   6.0996  641.854  143.448  723.023  177.304  488.051  244.067   49.633   6.1853   39.487   10.515 10.14658 12.19914 
1 1 1   13   25  -19 o  123.821   3.0163  4600.20  189.737  4760.95  223.101  4180.05  360.680  128.119   3.0151  119.524   5.2250 8.595192 6.032508 
1 1 1   13   26  -19 o  129.415   2.2328  4880.07  165.536  5006.72  222.175  4722.04  248.185  131.359   2.9285  127.471   3.3711 3.887955 4.465517 
1 1 1   13   27  -19 o   68.726   3.2691  1391.16  126.242  1345.15  201.586  1420.85  161.926   67.670   5.1580   69.781   4.0178 -2.111053 6.538153 
1 1 1   13   28  -19 o   13.070   4.7167 -675.5360  153.636 -1028.2150  316.748 -567.0365  175.687   14.898   7.5344   11.242   5.6764 3.656399 9.433397 
1 1 1   13   29  -19 o   45.494   5.6542  614.596  148.563   0.0000   0.0000  614.596  148.563  ?   ?    45.494   5.6542      ?      ? 
1 1 1   13   30  -19 o   50.292   6.2264  823.388  135.613  761.133  309.630  838.165  150.852   47.376   11.444   53.208   4.9089 -5.832165 12.45287 
1 1 1   13   31  -19 o   17.239   5.6663 -157.3552  139.659 -55.0016  188.327 -282.4237  208.178   18.675   8.3865   15.802   7.6219 2.872415 11.33252 
1 1 1   13   32  -19 o   78.903   2.8361  1836.39  129.117  1942.86  187.125  1739.64  178.386   81.089   3.9956   76.718   4.0261 4.371284 5.672218 
1 1 1   13   33  -19 o   20.913   6.9053 -172.0490  205.786 -97.2932  300.481 -238.0828  282.408   22.273   10.230   19.552   9.2779 2.721064 13.81066 
1 1 1   13   34  -19 o   60.791   3.5252  1121.61  122.603  1072.07  183.771  1161.34  164.585   59.367   5.3598   62.216   4.5804 -2.848965 7.050395 
1 1 1   13   35  -19 o   45.125   4.9447  651.198  112.962  650.317  134.420  653.317  208.411   46.287   5.0283   43.963   8.5157 2.323830 9.889445 
1 1 1   13   36  -19 f   75.578   4.6755  1804.16  203.464  1835.15  300.373  1777.89  276.581   75.938   6.8489   75.218   6.3667 0.7195435 9.351044 
1 1 1   13   37  -19 o   29.361   8.6227  302.948  155.837   0.0000   0.0000  302.948  155.837  ?   ?    29.361   8.6227      ?      ? 
1 1 1   13   38  -19 o   30.560   6.7195  391.194  138.463   30.624  363.459  452.407  149.755   24.519   11.258   36.602   7.3396 -12.08365 13.43892 
1 1 1   13   39  -19 o   48.581   5.6817  804.260  147.900  868.508  251.558  770.319  182.840   48.530   9.3139   48.632   6.5098 -0.1016808 11.36333 
1 1 1   13    0  -20 o  103.686   3.7679  3121.11  224.960  3121.11  224.960   0.0000   0.0000  103.686   3.7679  103.686   3.7679 -0.000000 0.000000 
1 1 1   13    1  -20 o  146.498   2.4976  6197.82  174.622  6239.11  374.071  6186.31  197.456  146.709   4.4148  146.287   2.3371 0.4219055 4.995263 
1 1 1   13    2  -20 o  100.393   2.5632  2937.28  144.152  3000.58  183.898  2836.39  232.158  101.838   3.1267   98.948   4.0625 2.890442 5.126395 
1 1 1   13    3  -20 o   14.372   4.8721 -242.5012  116.511 -303.5585  162.381 -177.7098  167.272   13.226   6.4596   15.517   7.2954 -2.290705 9.744184 
1 1 1   13    4  -20 o  161.496   1.5268  7539.06  142.358  7566.32  199.025  7510.49  203.706  161.797   2.1299  161.195   2.1881 0.6020660 3.053535 
1 1 1   13    5  -20 o   44.513   6.5121  601.427  158.325  600.541  201.804  602.846  255.336   44.644   8.1261   44.382   10.178 0.2622910 13.02421 
1 1 1   13    6  -20 o  113.891   2.2522  3783.14  139.988  3660.80  239.278  3846.80  172.611  112.442   3.6846  115.341   2.5912 -2.899231 4.504497 
1 1 1   13    7  -20 o  102.586   2.2699  3044.29  134.034  3057.13  198.019  3033.43  182.087  102.777   3.3360  102.395   3.0790 0.3823471 4.539739 
1 1 1   13    8  -20 o  218.046   1.9806 13692.91  221.805 13878.46  427.122 13624.40  259.546  218.975   3.3773  217.117   2.0698 1.858414 3.961115 
1 1 1   13    9  -20 o   82.933   3.8907  1878.56  156.789  2224.50  339.815  1785.00  176.725   87.367   6.7346   78.500   3.8980 8.866188 7.781332 
1 1 1   13   10  -20 o  148.532   1.9694  6369.70  167.372  6299.52  221.503  6463.09  255.525  147.596   2.5985  149.469   2.9600 -1.872864 3.938784 
1 1 1   13   11  -20 o   55.576   6.8386  921.498  197.357  934.993  356.017  915.511  237.126   55.163   11.545   55.990   7.3330 -0.8270302 13.67729 
1 1 1   13   12  -20 o  194.925   2.5734 10971.54  281.916 11141.01  456.055 10866.74  358.650  196.077   4.0272  193.772   3.2047 2.304779 5.146731 
1 1 1   13   13  -20 o  175.629   2.3271  8840.49  192.469  9081.85  422.052  8777.12  216.266  177.006   4.1285  174.251   2.1490 2.755173 4.654296 
1 1 1   13   14  -20 o  205.169   1.7727 12164.41  210.056 12164.41  210.056   0.0000   0.0000  205.169   1.7727  ?   ?       ?      ? 
1 1 1   13   15  -20 o  273.216   1.7582 21586.22  277.420 21764.85  394.740 21411.88  389.966  274.332   2.4914  272.100   2.4815 2.231964 3.516388 
1 1 1   13   16  -20 o  140.961   2.1902  5736.80  172.659  5811.65  282.743  5692.29  218.033  141.651   3.4561  140.272   2.6913 1.379318 4.380399 
1 1 1   13   17  -20 o  107.954   3.1501  3404.55  192.712  3266.55  299.879  3501.63  251.526  106.019   4.8975  109.888   3.9632 -3.869011 6.300214 
1 1 1   13   18  -20 o  143.110   2.2811  5959.00  176.916  6011.90  216.212  5851.82  307.754  144.149   2.5971  142.070   3.7507 2.079391 4.562103 
1 1 1   13   19  -20 o   65.290   4.3214  1237.99  162.951   0.0000   0.0000  1237.99  162.951  ?   ?    65.290   4.3214      ?      ? 
1 1 1   13   20  -20 o   54.063   4.3648  858.513  134.672  827.802  204.793  881.913  178.760   53.151   6.6714   54.976   5.6301 -1.824615 8.729617 
1 1 1   13   21  -20 o  126.022   2.9060  4625.25  167.318  4632.39  186.525  4595.87  378.562  126.506   2.5529  125.537   5.2213 0.9695358 5.812026 
1 1 1   13   22  -20 o   16.173   5.6757 -530.1962  181.795 -956.6089  360.477 -384.7512  210.529   17.295   8.6490   15.051   7.3518 2.243287 11.35139 
1 1 1   13   23  -20 o   99.577   3.3462  2894.03  191.747  2915.27  260.905  2869.08  282.753  100.019   4.5166   99.135   4.9385 0.8833084 6.692429 
1 1 1   13   24  -20 o   46.048   6.8434  539.996  145.467  460.121  160.598  904.982  343.300   38.769   7.4431   53.326   11.486 -14.55685 13.68681 
1 1 1   13   25  -20 o   54.283   6.0486  864.220  147.825  840.079  164.974  962.563  332.977   53.494   5.3398   55.072   10.855 -1.578094 12.09711 
1 1 1   13   26  -20 o   28.154   6.1565  184.647  122.080   26.076  156.891  427.999  194.359   19.528   8.2069   36.779   9.1791 -17.25057 12.31297 
1 1 1   13   27  -20 o   37.805   5.4487  448.962  116.798  298.763  165.585  597.692  164.773   30.817   8.8422   44.793   6.3692 -13.97687 10.89732 
1 1 1   13   28  -20 o   57.870   3.6975  957.369  115.759  899.003  139.170  1088.41  208.535   55.321   4.3559   60.420   5.9760 -5.099010 7.395036 
1 1 1   13   29  -20 o   27.616   7.5170  182.006  181.729 -78.1070  315.855  310.721  222.188   23.944   10.797   31.289   10.462 -7.344999 15.03399 
1 1 1   13   30  -20 o   93.317   3.3874  2600.46  142.032  2564.10  325.856  2608.99  157.812   92.078   6.1275   94.556   2.8898 -2.477142 6.774735 
1 1 1   13   31  -20 o   85.010   3.5716  2215.64  132.765  2081.70  310.538  2245.59  146.864   82.374   6.5274   87.645   2.9014 -5.271057 7.143148 
1 1 1   13   32  -20 o   35.587   7.5041  475.214  171.814  287.932  309.448  558.679  206.583   30.484   11.990   40.690   9.0268 -10.20621 15.00830 
1 1 1   13   33  -20 o   43.769   5.3034  635.676  104.940  650.175  118.743  583.959  224.259   46.616   4.4105   40.922   9.6463 5.694389 10.60675 
1 1 1   13   34  -20 o   70.866   3.3377  1544.24  123.510  1588.52  147.781  1441.66  224.933   73.273   3.4921   68.459   5.6890 4.814308 6.675339 
1 1 1   13   35  -20 o   21.063   6.6782 -120.5484  136.067  269.724  304.805 -217.6764  152.059   28.935   11.724   13.191   6.3988 15.74355 13.35631 
1 1 1   13   36  -20 o   33.551   7.6870  401.647  168.691  286.839  213.185  593.927  275.890   28.377   10.204   38.725   11.500 -10.34811 15.37399 
1 1 1   13   37  -20 o   16.424   5.5034 -168.2714  142.954 -426.6942  252.094 -45.7853  173.556   15.558   7.6863   17.291   7.8785 -1.733486 11.00682 
1 1 1   13   38  -20 o   57.303   4.3593  1001.95  125.168  1168.34  254.706  948.981  143.719   58.904   7.4871   55.703   4.4674 3.201012 8.718557 
1 1 1   13    0  -21 o   98.041   3.7143  2756.26  177.747  2711.19  202.986  2904.43  368.060   96.625   3.6492   99.458   6.4704 -0.000000 0.000000 
1 1 1   13    1  -21 o  119.053   2.3122  4207.57  136.585  3894.33  270.822  4314.42  158.174  115.937   4.0446  122.170   2.2417 -6.232483 4.624303 
1 1 1   13    2  -21 o  156.527   2.5173  7174.83  191.429  6942.11  395.922  7245.83  218.690  154.742   4.4301  158.312   2.3918 -3.570694 5.034568 
1 1 1   13    3  -21 o  157.334   2.4280  7054.87  175.217  7348.46  399.379  6984.89  194.984  159.217   4.3432  155.451   2.1718 3.766037 4.855937 
1 1 1   13    4  -21 o  138.745   2.4896  5557.14  187.566  5619.48  327.485  5526.71  228.814  139.263   4.0716  138.227   2.8662 1.036591 4.979296 
1 1 1   13    5  -21 o  219.337   1.5312 13899.15  192.611 13962.46  290.389 13849.41  257.375  219.771   2.2878  218.904   2.0358 0.8670502 3.062440 
1 1 1   13    6  -21 o  146.458   2.5548  6202.25  215.065  6124.88  289.489  6297.54  321.287  145.458   3.4460  147.458   3.7726 -1.999924 5.109508 
1 1 1   13    7  -21 o   80.924   3.2504  1896.37  151.781  1797.44  210.122  2004.32  219.487   78.718   4.6218   83.129   4.5716 -4.410873 6.500797 
1 1 1   13    8  -21 o  115.136   2.6044  3859.51  151.421  3881.46  175.993  3796.97  297.106  115.851   2.6303  114.421   4.4959 1.429573 5.208841 
1 1 1   13    9  -21 o  159.548   1.9649  7300.54  168.872  7536.27  300.949  7192.20  204.018  161.365   3.2292  157.731   2.2396 3.634109 3.929840 
1 1 1   13   10  -21 o   21.034   6.9587 -290.9982  211.971 -464.3974  334.051 -174.1174  274.259   20.473   9.8176   21.595   9.8645 -1.122713 13.91739 
1 1 1   13   11  -21 o   92.024   3.1282  2451.90  165.462  2500.89  247.433  2412.28  222.539   92.836   4.6148   91.212   4.2244 1.623817 6.256399 
1 1 1   13   12  -21 o  134.928   2.3882  5269.03  186.062  5425.91  266.208  5119.20  260.160  136.892   3.3671  132.965   3.3878 3.927460 4.776466 
1 1 1   13   13  -21 o  179.893   1.9506  9363.64  202.558  9401.68  282.379  9323.32  290.723  180.275   2.7121  179.510   2.8042 0.7640381 3.901165 
1 1 1   13   14  -21 o   68.206   5.2306  1381.35  195.578  1298.68  328.094  1426.92  243.587   66.443   8.5500   69.970   6.0278 -3.527199 10.46116 
1 1 1   13   15  -21 o   90.093   2.8566  2330.97  142.861  2437.34  239.886  2272.51  177.836   91.618   4.5335   88.567   3.4767 3.051659 5.713158 
1 1 1   13   16  -21 o   54.469   5.1245  877.180  151.656  846.343  260.904  892.917  186.375   53.598   8.4285   55.339   5.8313 -1.741802 10.24910 
1 1 1   13   17  -21 o   72.884   2.9520  1552.60  122.678  1616.32  163.081  1469.54  186.195   74.653   3.7824   71.115   4.5334 3.537560 5.904089 
1 1 1   13   18  -21 o   34.982   6.6180  354.745  135.194  493.527  218.612  268.799  172.036   39.972   9.5920   29.992   9.1207 9.979813 13.23608 
1 1 1   13   19  -21 o  219.540   2.1776 13976.47  262.082 13928.06  447.184 14001.79  323.454  219.134   3.5334  219.946   2.5463 -0.8118896 4.355278 
1 1 1   13   20  -21 o   42.178   7.5162  527.320  183.363  749.627  290.992  380.919  236.144   49.033   10.586   35.324   10.673 13.70840 15.03246 
1 1 1   13   21  -21 o   93.015   2.8019  2503.87  149.531  2421.59  198.984  2610.62  226.644   91.296   3.7738   94.733   4.1424 -3.437576 5.603704 
1 1 1   13   22  -21 o  116.028   3.1498  3950.91  206.162  4055.20  266.579  3795.73  325.196  118.072   3.9093  113.985   4.9398 4.086578 6.299545 
1 1 1   13   23  -21 o   17.001   8.5948 -1375.0930  199.521 -1326.0170  409.953 -1390.3260  228.396   17.001   8.5948  ?   ?       ?      ? 
1 1 1   13   24  -21 o  137.622   1.7513  5496.79  138.871  5599.71  190.997  5381.34  202.275  139.011   2.3790  136.234   2.5708 2.777237 3.502677 
1 1 1   13   25  -21 o   67.198   4.1159  1323.14  158.999  1181.44  213.857  1498.28  237.754   63.201   5.8589   71.194   5.7822 -7.993893 8.231717 
1 1 1   13   26  -21 o   67.795   4.5910  1293.96  153.093  1226.59  173.630  1529.29  324.509   64.607   4.6533   70.984   7.9156 -6.377251 9.182017 
1 1 1   13   27  -21 o   36.007   5.6439  418.590  122.214  195.914  175.029  630.447  170.725   26.183   9.2635   45.831   6.4499 -19.64820 11.28774 
1 1 1   13   28  -21 o   29.726   6.5975  292.170  128.568  173.225  226.651  348.601  156.115   26.535   10.312   32.918   8.2328 -6.383459 13.19499 
1 1 1   13   29  -21 o   70.759   2.9277  1477.90  119.481  1477.04  164.741  1478.86  173.546   70.778   4.0301   70.740   4.2478 0.3721619E-01 5.855397 
1 1 1   13   30  -21 o   58.913   3.4182  1041.56  115.687  1145.34  162.162  933.992  165.090   62.037   4.5260   55.789   5.1238 6.247959 6.836476 
1 1 1   13   31  -21 o   56.716   5.8836  1025.67  184.482  1079.07  310.451  996.526  229.373   56.999   9.4306   56.432   7.0377 0.5668907 11.76712 
1 1 1   13   32  -21 o   59.003   5.2639  1049.65  147.889  1221.06  323.061  1004.21  166.341   60.364   9.2666   57.641   4.9967 2.722984 10.52789 
1 1 1   13   33  -21 o   65.497   5.0605  1373.79  177.143  1341.05  311.553  1389.43  215.337   63.686   8.4705   67.309   5.5394 -3.623722 10.12092 
1 1 1   13   34  -21 o   28.578   5.8100  299.198   97.821  332.704  110.650  179.322  209.294   32.212   6.1724   24.944   9.8451 7.267508 11.61998 
1 1 1   13   35  -21 o   40.020   5.6047  549.982  115.896  569.621  138.780  504.720  210.688   42.853   5.6074   37.188   9.7061 5.665062 11.20948 
1 1 1   13   36  -21 o   28.588   6.2677  288.070  111.144  273.775  138.736  313.682  185.703   27.973   8.1133   29.203   9.5557 -1.230803 12.53549 
1 1 1   13   37  -21 o   37.908   6.6884  480.281  138.167  750.868  253.078  365.385  164.912   44.247   10.123   31.569   8.7445 12.67807 13.37680 
1 1 1   13    0  -22 o  261.271   2.5815 19732.26  389.448 19732.26  389.448   0.0000   0.0000  261.271   2.5815  261.271   2.5815 -0.000000 0.000000 
1 1 1   13    1  -22 o  107.238   3.1678  3239.96  162.181  3168.85  182.560  3506.20  353.241  104.652   3.0205  109.823   5.5692 -5.171509 6.335532 
1 1 1   13    2  -22 o  115.441   2.2653  3867.76  150.305  3732.73  221.480  3983.04  204.645  113.554   3.3771  117.328   3.0200 -3.774582 4.530531 
1 1 1   13    3  -22 o  102.668   2.5204  3114.23  133.757  2911.87  249.620  3195.73  158.421  100.215   4.3128  105.120   2.6094 -4.905350 5.040780 
1 1 1   13    4  -22 o  174.007   1.9845  8751.08  199.438   0.0000   0.0000  8751.08  199.438  ?   ?   174.007   1.9845      ?      ? 
1 1 1   13    5  -22 o  262.015   2.1216 19946.69  295.877 20078.46  355.786 19651.21  532.771  263.527   2.3377  260.504   3.5411 3.022858 4.243129 
1 1 1   13    6  -22 o  121.595   2.2057  4268.20  149.342  4319.36  247.094  4238.75  187.453  122.133   3.5030  121.057   2.6811 1.076042 4.411308 
1 1 1   13    7  -22 o  155.251   2.4638  7033.26  209.157  6810.26  356.101  7150.71  258.431  153.286   4.0224  157.215   2.8462 -3.929489 4.927536 
1 1 1   13    8  -22 o  110.344   3.0555  3531.43  193.950  3532.26  262.881  3530.43  287.318  110.379   4.1237  110.308   4.5099 0.7128906E-01 6.110996 
1 1 1   13    9  -22 f   76.626   3.0830  1695.17  136.051  1599.47  184.093  1810.34  201.957   74.260   4.2924   78.993   4.4268 -4.732605 6.166098 
1 1 1   13   10  -22 o   17.652   6.0346 -369.2960  175.309 -419.8321  299.443 -342.9417  216.242   19.343   9.2809   15.961   7.7154 3.382016 12.06910 
1 1 1   13   11  -22 o  115.925   3.4209  3965.66  211.252  3740.68  375.265  4070.03  255.600  113.340   5.7328  118.509   3.7344 -5.168205 6.841865 
1 1 1   13   12  -22 o   67.033   5.2833  1319.79  188.047  1308.98  340.051  1324.55  225.697   66.641   8.8353   67.426   5.7958 -0.7858963 10.56660 
1 1 1   13   13  -22 o  140.008   2.5236  5706.19  190.818  5607.69  334.207  5753.84  232.427  139.019   4.1625  140.997   2.8542 -1.978714 5.047105 
1 1 1   13   14  -22 o  173.283   2.9973  8685.05  298.027  8984.21  450.900  8452.96  397.147  175.880   4.4389  170.687   4.0287 5.193253 5.994549 
1 1 1   13   15  -22 o   92.658   2.7173  2511.75  142.029  2596.55  183.987  2386.70  223.427   94.659   3.3654   90.657   4.2672 4.001877 5.434661 
1 1 1   13   16  -22 o   67.301   3.8225  1312.46  148.102  1216.11  200.024  1429.38  220.345   64.589   5.3621   70.013   5.4493 -5.424232 7.645067 
1 1 1   13   17  -22 o   74.417   3.1165  1617.29  133.242  1522.94  195.054  1699.83  182.444   72.342   4.6685   76.492   4.1298 -4.149910 6.232991 
1 1 1   13   18  -22 o   92.081   3.3919  2419.70  168.360  2610.44  302.449  2334.06  202.661   94.521   5.5403   89.640   3.9146 4.881317 6.783739 
1 1 1   13   19  -22 o   47.028   7.7885  686.982  205.910  632.396  270.058  762.783  318.239   44.903   10.586   49.153   11.427 -4.250183 15.57691 
1 1 1   13   20  -22 o   23.986   7.3626   30.927  150.945 -79.2480  370.558   52.845  165.279   26.997   11.966   20.975   8.5820 6.021698 14.72524 
1 1 1   13   21  -22 o   58.003   4.5242  976.685  149.622  1225.82  226.203  782.896  199.500   64.537   6.0688   51.468   6.7115 13.06899 9.048407 
1 1 1   13   22  -22 o  107.294   3.5976  3420.58  192.322  3281.97  381.641  3467.76  222.661  105.402   6.2693  109.186   3.5310 -3.784081 7.195280 
1 1 1   13   23  -22 o  102.530   2.5432  3063.75  150.143  3034.60  220.495  3088.94  205.017  102.039   3.7415  103.021   3.4457 -0.9815598 5.086438 
1 1 1   13   24  -22 o   19.410   8.1035   33.337  151.438   0.0000   0.0000   33.337  151.438  ?   ?    19.410   8.1035      ?      ? 
1 1 1   13   25  -22 o   18.021   6.1299 -294.2758  174.653 -205.9431  206.618 -515.3653  326.882   17.042   8.0416   19.000   9.2540 -1.957851 12.25980 
1 1 1   13   26  -22 o   50.074   6.7864  892.425  153.952  961.409  174.103  645.100  329.662   56.906   5.2974   43.242   12.496 13.66419 13.57285 
1 1 1   13   27  -22 o   52.316   3.8545  828.149  114.809  938.531  157.928  704.429  167.196   56.240   4.8621   48.392   5.9824 7.848560 7.709009 
1 1 1   13   28  -22 o   18.165   5.7890 -67.1822  130.178 -143.4976  191.926  -2.1595  177.158   17.023   7.9417   19.308   8.4249 -2.285942 11.57800 
1 1 1   13   29  -22 o   54.174   4.1468  888.174  129.350  840.724  174.797  945.611  192.313   52.635   5.7501   55.713   5.9767 -3.078564 8.293661 
1 1 1   13   30  -22 o   69.932   3.3364  1487.07  130.617  1563.56  168.318  1371.27  207.094   72.581   4.0153   67.282   5.3295 5.299339 6.672790 
1 1 1   13   31  -22 o   37.415   7.5758  489.599  153.267  539.204  330.524  476.011  172.990   37.107   12.756   37.723   8.1762 -0.6157570 15.15158 
1 1 1   13   32  -22 o   12.922   4.4694 -261.4299  111.152 -248.0307  154.126 -275.9512  160.450   12.920   6.3061   12.925   6.3351 -0.5042076E-02 8.938722 
1 1 1   13   33  -22 f   40.183   9.2356  568.199  209.842   0.0000   0.0000  568.199  209.842  ?   ?    40.183   9.2356      ?      ? 
1 1 1   13   34  -22 o   44.004   6.2438  690.000  154.136  506.358  226.176  849.246  210.617   36.767   10.261   51.240   7.1171 -14.47276 12.48754 
1 1 1   13   35  -22 o   25.298   6.3777  219.519  117.007  223.989  154.442  213.496  179.263   25.439   8.7211   25.156   9.3080 0.2832813 12.75531 
1 1 1   13   36  -22 o   16.694   5.8239 -233.4664  141.669 -175.6679  324.793 -247.0465  157.434   20.516   9.7954   12.873   6.3024 7.642915 11.64777 
1 1 1   13    0  -23 o   13.298   9.1535 -167.1266  231.555 -167.1266  231.555   0.0000   0.0000   13.298   9.1535   13.298   9.1535 -0.000000 0.000000 
1 1 1   13    1  -23 o   92.529   4.4957  2496.01  240.237  2460.34  338.577  2532.19  340.928   91.859   6.3819   93.198   6.3339 -1.338326 8.991496 
1 1 1   13    2  -23 o   43.508   5.5361  584.106  128.206  502.159  213.680  630.198  160.256   40.498   9.3281   46.518   5.9650 -6.020031 11.07226 
1 1 1   13    3  -23 o   78.385   3.8623  1781.89  168.126  1768.45  210.283  1805.70  279.916   78.052   4.6648   78.717   6.1570 -0.6656036 7.724613 
1 1 1   13    4  -23 o   36.954   7.4501  413.597  153.515   0.0000   0.0000  413.597  153.515  ?   ?    36.954   7.4501      ?      ? 
1 1 1   13    5  -23 o   66.373   4.1162  1333.52  150.518  1078.72  237.789  1503.86  194.428   60.776   6.7745   71.971   4.6775 -11.19518 8.232461 
1 1 1   13    6  -23 o  136.173   2.2744  5363.63  178.733  5492.21  258.910  5246.56  247.040  137.727   3.2550  134.620   3.1774 3.106888 4.548701 
1 1 1   13    7  -23 o   58.766   4.2598  979.806  138.346  1097.63  237.932  919.625  170.046   61.298   6.7208   56.235   5.2357 5.063148 8.519534 
1 1 1   13    8  -23 o   23.534   6.6740   4.4604  139.748  226.072  239.865 -109.4158  171.944   29.924   10.815   17.144   7.8233 12.77992 13.34800 
1 1 1   13    9  -23 o   29.036   7.4952  166.140  154.300   93.997  184.028  336.914  283.138   23.409   9.2340   34.662   11.809 -11.25355 14.99043 
1 1 1   13   10  -23 o  248.965   2.1695 17768.42  252.120 18250.52  559.463 17645.57  282.423  250.871   3.8613  247.059   1.9793 3.812164 4.339053 
1 1 1   13   11  -23 o   73.002   4.1374  1558.79  173.931  1646.66  241.860  1464.67  250.308   75.173   5.5708   70.831   6.1188 4.341331 8.274872 
1 1 1   13   12  -23 o   85.545   3.5660  2241.04  148.837  2350.53  172.273  1918.76  295.568   90.069   3.3117   81.020   6.3165 9.048950 7.132042 
1 1 1   13   13  -23 o  184.633   2.4245  9925.29  237.652  9769.04  429.672  9994.15  285.257  183.442   4.0556  185.824   2.6580 -2.381500 4.848967 
1 1 1   13   14  -23 o   13.657   4.8428 -650.0386  162.946 -682.4965  245.856 -624.6122  217.602   14.151   7.0864   13.163   6.6026 0.9873695 9.685632 
1 1 1   13   15  -23 o   53.358   5.1811  827.064  158.447  749.681  208.910  931.861  243.114   50.481   7.1655   56.234   7.4855 -5.753277 10.36228 
1 1 1   13   16  -23 o  142.402   1.8153  5817.08  145.064  5651.28  183.299  6094.98  237.307  139.752   2.2710  145.053   2.8327 -5.301132 3.630644 
1 1 1   13   17  -23 o   75.730   3.4609  1733.90  139.850  1849.51  171.520  1504.62  241.555   79.795   3.7218   71.666   5.8361 8.129150 6.921822 
1 1 1   13   18  -23 o   15.419   5.2734 -320.1508  141.794 -375.6233  191.363 -252.6161  211.146   14.033   6.8865   16.805   7.9883 -2.771499 10.54688 
1 1 1   13   19  -23 o   45.673   6.9326  654.880  151.958  616.357  326.965  665.493  171.619   43.816   12.376   47.529   6.2520 -3.713127 13.86525 
1 1 1   13   20  -23 o   78.583   3.0086  1790.56  134.738  1735.80  175.592  1868.98  210.118   77.188   3.9388   79.977   4.5490 -2.788933 6.017272 
1 1 1   13   21  -23 o  136.340   2.3398  5303.47  169.421  5665.83  312.144  5152.14  201.720  139.401   3.8771  133.279   2.6206 6.122803 4.679664 
1 1 1   13   22  -23 o  106.852   2.6474  3329.95  162.735  3324.91  220.542  3335.97  241.116  106.810   3.5751  106.893   3.9056 -0.8292389E-01 5.294864 
1 1 1   13   23  -23 o   40.557   8.1104  476.025  181.149  732.040  353.684  384.983  210.913   46.487   12.778   34.628   9.9921 11.85871 16.22079 
1 1 1   13   24  -23 f   53.253   6.4694  842.587  153.227  987.499  354.466  809.286  169.923   54.339   11.645   52.167   5.6399 2.172142 12.93888 
1 1 1   13   25  -23 o   22.547   6.5818   59.287  147.111 -188.0354  266.541  167.631  176.415   20.133   9.3814   24.961   9.2342 -4.828415 13.16369 
1 1 1   13   26  -23 o   19.329   6.4712 -177.6254  155.445 -129.4731  326.471 -191.7422  176.768   23.262   10.676   15.396   7.3158 7.865754 12.94240 
1 1 1   13   27  -23 o   19.745   5.9742   14.312  120.549 -35.1111  157.890   83.390  186.663   17.406   7.7573   22.084   9.0878 -4.678421 11.94840 
1 1 1   13   28  -23 o   19.321   5.9620 -10.7194  121.852   75.817  200.820 -61.1448  153.297   22.226   9.3098   16.416   7.4505 5.810024 11.92403 
1 1 1   13   29  -23 o   62.818   4.4465  1242.15  157.545  1389.09  211.215  1057.87  236.533   67.623   5.4081   58.013   7.0597 9.610126 8.893077 
1 1 1   13   30  -23 o   45.579   4.3511  658.111  110.796  722.856  145.048  567.413  171.674   48.799   5.1465   42.359   7.0174 6.440632 8.702291 
1 1 1   13   31  -23 o   47.605   3.8659  696.526   99.427  700.495  121.477  688.472  173.056   48.317   4.3532   46.894   6.3898 1.423611 7.731755 
1 1 1   13   32  -23 o   23.123   6.3005  140.891  115.419   98.439  144.381  216.054  192.114   20.397   8.1367   25.849   9.6217 -5.452309 12.60090 
1 1 1   13   33  -23 o   48.907   4.4257  769.133  115.867  798.196  142.083  711.437  200.192   51.174   4.8074   46.639   7.4321 4.535175 8.851381 
1 1 1   13   34  -23 o   45.553   8.0180  738.445  185.493  1039.30  385.742  647.951  211.559   48.443   13.356   42.664   8.8749 5.778358 16.03600 
1 1 1   13   35  -23 f   54.129   6.5381  1029.41  193.827  921.072  242.500  1221.07  322.536   51.646   8.1300   56.613   10.242 -4.967003 13.07622 
1 1 1   13    0  -24 o   90.490   5.0743  2441.13  259.200  2613.76  354.828  2243.60  379.548   94.182   6.5976   86.799   7.7113 -0.000000 0.000000 
1 1 1   13    1  -24 o   86.372   2.9077  2130.27  136.079  2261.59  241.289  2069.02  164.785   88.229   4.7352   84.515   3.3760 3.713959 5.815450 
1 1 1   13    2  -24 o  135.355   2.8005  5316.18  187.855  5318.98  216.033  5307.47  380.411  135.577   2.7590  135.133   4.8742 0.4437103 5.600903 
1 1 1   13    3  -24 o   72.166   3.6274  1488.78  148.490  1649.51  237.723  1385.95  190.148   75.269   5.4685   69.062   4.7672 6.207176 7.254721 
1 1 1   13    4  -24 o   39.450   7.9597  458.447  182.900  548.385  313.977  412.252  225.022   42.197   12.196   36.703   10.232 5.494576 15.91933 
1 1 1   13    5  -24 o   40.760   6.3104  506.241  142.644  522.310  222.758  495.072  185.716   41.206   9.5472   40.314   8.2543 0.8925438 12.62077 
1 1 1   13    6  -24 o   93.735   2.6271  2547.79  141.522  2542.81  210.705  2551.89  191.025   93.632   3.8964   93.837   3.5248 -0.2043228 5.254142 
1 1 1   13    7  -24 o   84.508   3.9015  2077.12  188.928  2050.80  251.190  2111.39  286.682   83.938   5.1815   85.079   5.8344 -1.140602 7.803092 
1 1 1   13    8  -24 o   45.022   7.2157  748.224  151.017  348.812  369.131  828.514  165.502   36.716   13.394   53.329   5.3735 -16.61259 14.43150 
1 1 1   13    9  -24 o   91.678   3.2884  2469.17  171.279  2283.68  261.256  2609.00  226.827   88.563   5.1078   94.794   4.1431 -6.231178 6.576838 
1 1 1   13   10  -24 o   16.804   8.1494 -403.8361  246.253   0.0000   0.0000 -403.8361  246.253  ?   ?    16.804   8.1494      ?      ? 
1 1 1   13   11  -24 o  128.914   2.5317  4843.89  186.321  4653.46  282.808  4989.93  247.669  126.617   3.8674  131.211   3.2683 -4.594048 5.063401 
1 1 1   13   12  -24 o  124.608   2.1438  4553.24  150.241  4761.72  194.287  4243.12  236.957  128.251   2.6230  120.965   3.3918 7.286720 4.287681 
1 1 1   13   13  -24 o   51.527   6.7573  824.969  183.266  756.937  318.341  858.692  224.132   49.058   11.445   53.996   7.1872 -4.937321 13.51468 
1 1 1   13   14  -24 o  181.857   2.2947  9473.42  223.318  9905.60  403.949  9283.19  267.996  184.665   3.7875  179.049   2.5916 5.615982 4.589330 
1 1 1   13   15  -24 o   94.210   3.5414  2609.54  189.051  2492.06  293.737  2692.62  247.011   92.278   5.5116   96.142   4.4485 -3.864128 7.082841 
1 1 1   13   16  -24 o  111.338   2.9528  3564.21  175.559  3729.19  318.698  3492.34  210.352  112.994   4.8836  109.682   3.3207 3.312637 5.905617 
1 1 1   13   17  -24 o   80.742   2.9093  1840.05  127.560  2072.68  227.949  1733.98  153.916   84.235   4.6855   77.248   3.4499 6.986839 5.818618 
1 1 1   13   18  -24 o   87.612   2.6329  2220.96  128.551  2285.22  213.024  2184.17  161.213   88.514   4.1671   86.709   3.2192 1.804848 5.265712 
1 1 1   13   19  -24 o   29.445   6.7515  280.560  140.631 -92.0352  313.723  374.257  157.323   24.251   10.862   34.640   8.0217 -10.38927 13.50299 
1 1 1   13   20  -24 o   69.505   4.3448  1581.74  136.480  1696.47  155.029  1186.52  287.737   76.310   3.5176   62.700   7.9458 13.60976 8.689649 
1 1 1   13   21  -24 o  100.902   2.6120  3027.43  148.260  3268.75  194.046  2688.98  229.802  105.967   3.1707   95.838   4.1518 10.12926 5.224006 
1 1 1   13   22  -24 o   23.566   6.9192   73.311  154.451  -8.7236  253.344  121.836  194.850   23.013   10.057   24.118   9.5055 -1.105217 13.83846 
1 1 1   13   23  -24 o   49.026   5.2427  764.610  136.624  657.904  222.311  829.372  173.191   45.331   8.8087   52.722   5.6879 -7.390041 10.48548 
1 1 1   13   24  -24 o   43.141   5.8472  559.041  145.689  559.041  145.689   0.0000   0.0000   43.141   5.8472  ?   ?       ?      ? 
1 1 1   13   25  -24 f   48.321   4.0381  701.973  112.405  727.269  166.031  680.568  152.730   49.069   5.8586   47.572   5.5589 1.497257 8.076159 
1 1 1   13   26  -24 f   25.780   5.8024  219.028  114.330  329.438  135.253 -57.3332  213.984   31.889   7.4742   19.672   8.8774 12.21613 11.60477 
1 1 1   13   27  -24 o   51.980   5.0199  880.343  133.669  932.940  163.280  773.463  232.755   55.646   5.0806   48.315   8.6594 7.330944 10.03976 
1 1 1   13   28  -24 o   14.068   4.8698 -285.0218  126.887 -251.0185  158.273 -346.1906  212.281   13.186   6.4261   14.949   7.3187 -1.762504 9.739518 
1 1 1   13   29  -24 o   27.035   6.6297  231.408  119.515  206.327  144.139  286.590  213.801   25.144   8.4262   28.925   10.238 -3.780302 13.25935 
1 1 1   13   30  -24 o   65.939   3.7273  1312.94  139.459  1246.41  179.380  1414.58  221.735   64.137   4.8426   67.742   5.6675 -3.604485 7.454638 
1 1 1   13   31  -24 o   42.262   4.4719  561.254  107.826  555.695  141.904  568.849  165.861   42.287   5.8103   42.237   6.7994 0.5069733E-01 8.943798 
1 1 1   13   32  -24 o   36.830   5.6245  453.575  111.055  443.465  134.197  475.544  197.824   37.462   6.2025   36.198   9.3845 1.263966 11.24902 
1 1 1   13   33  -24 o   17.826   6.0083 -65.9358  118.448 -51.0691  127.008 -165.2113  328.205   14.659   6.7026   20.994   9.9738 -6.335082 12.01670 
1 1 1   13   34  -24 o   31.993   6.1192  388.891  115.209  423.458  141.062  319.641  199.658   35.226   7.1773   28.761   9.9128 6.465347 12.23834 
1 1 1   13    0  -25 o   35.645   10.582  521.481  226.075  677.358  334.562  390.493  306.690   41.472   15.152   29.818   14.775 -0.000000 0.000000 
1 1 1   13    1  -25 f  115.105   3.4219  3822.90  211.308  3769.96  254.525  3940.31  379.058  113.988   3.8662  116.222   5.6472 -2.234406 6.843863 
1 1 1   13    2  -25 o   25.016   6.7207  136.376  124.098  142.259  145.630  120.776  237.144   23.628   8.4401   26.404   10.461 -2.776339 13.44132 
1 1 1   13    3  -25 o   15.741   5.0956 -170.0430  112.720  -1.9668  156.620 -350.6550  162.356   18.884   8.0779   12.598   6.2135 6.286474 10.19118 
1 1 1   13    4  -25 o   97.189   3.3085  2750.35  185.369  2555.38  261.871  2946.16  262.432   93.709   4.8386  100.669   4.5137 -6.960373 6.617091 
1 1 1   13    5  -25 o  113.082   3.2815  3700.22  179.178  3684.46  203.495  3754.59  377.978  112.771   3.1244  113.393   5.7716 -0.6220245 6.563006 
1 1 1   13    6  -25 o   66.034   3.9611  1239.00  143.599  1380.79  250.333  1169.46  175.311   68.680   6.3111   63.388   4.7887 5.291691 7.922174 
1 1 1   13    7  -25 o  111.631   2.2752  3618.75  145.774  3678.54  196.462  3545.50  217.441  112.684   3.0188  110.579   3.4048 2.104759 4.550319 
1 1 1   13    8  -25 o   37.450   6.3532  464.187  131.953  294.046  246.003  532.912  156.348   32.255   11.007   42.645   6.3481 -10.38948 12.70641 
1 1 1   13    9  -25 o   86.579   4.2513  2242.60  182.259  2099.00  362.655  2291.12  210.818   84.370   7.4425   88.787   4.1112 -4.417191 8.502525 
1 1 1   13   10  -25 o   80.898   3.5029  1903.67  162.708  2202.69  236.490  1634.89  224.208   86.954   4.7091   74.843   5.1870 12.11088 7.005766 
1 1 1   13   11  -25 o  156.091   2.6532  7097.84  221.224  7023.14  396.027  7131.72  266.718  155.316   4.4149  156.867   2.9440 -1.550232 5.306466 
1 1 1   13   12  -25 o  134.295   2.1006  5193.96  157.467  5362.07  260.194  5096.80  197.803  135.934   3.3142  132.656   2.5818 3.278030 4.201165 
1 1 1   13   13  -25 o   82.305   3.3475  1998.40  155.939  1858.27  241.133  2099.14  204.444   79.700   5.2385   84.909   4.1690 -5.208923 6.695005 
1 1 1   13   14  -25 o   67.084   4.8282  1269.64  153.428  1440.53  340.271  1226.03  171.894   69.358   8.4946   64.809   4.5924 4.548843 9.656492 
1 1 1   13   15  -25 o   39.026   6.1189  479.395  130.971  420.547  224.107  509.919  161.403   36.548   10.219   41.503   6.7336 -4.954884 12.23789 
1 1 1   13   16  -25 o   86.873   2.5113  2190.47  125.367  2143.60  168.250  2248.97  187.977   85.860   3.3930   87.887   3.7034 -2.026962 5.022673 
1 1 1   13   17  -25 f   36.220   6.8445  415.060  145.796  391.289  200.043  441.993  212.934   35.158   9.5874   37.281   9.7710 -2.122665 13.68900 
1 1 1   13   18  -25 o   62.088   4.5257  1134.01  161.396  1007.02  215.870  1294.97  243.032   58.183   6.4241   65.994   6.3764 -7.810513 9.051388 
1 1 1   13   19  -25 o   68.095   4.0790  1391.02  157.930  1492.90  211.033  1261.32  238.101   71.147   5.1358   65.042   6.3384 6.104851 8.157951 
1 1 1   13   20  -25 o   41.495   6.1423  550.337  142.379  498.267  205.563  598.350  197.394   39.348   9.2087   43.641   8.1308 -4.293583 12.28454 
1 1 1   13   21  -25 o   59.338   4.7408  1029.37  146.756  985.852  172.321  1144.26  280.004   57.651   5.1754   61.025   7.9446 -3.373974 9.481665 
1 1 1   13   22  -25 o   37.627   6.5241  457.096  142.207  592.451  211.604  345.614  192.038   42.772   8.8575   32.482   9.5813 10.29004 13.04825 
1 1 1   13   23  -25 o   46.764   6.1811  751.133  157.190  986.007  210.805  456.993  235.906   56.936   6.4108   36.592   10.570 20.34414 12.36221 
1 1 1   13   24  -25 o   65.627   4.0226  1272.97  152.468   0.0000   0.0000  1272.97  152.468  ?   ?    65.627   4.0226      ?      ? 
1 1 1   13   25  -25 o   71.254   3.8569  1544.46  156.714  1594.54  208.221  1479.04  238.008   72.883   4.9467   69.625   5.9189 3.258064 7.713835 
1 1 1   13   26  -25 o   45.451   4.7451  702.500  108.784  821.136  136.363  494.844  180.410   52.391   4.5066   38.510   8.3519 13.88119 9.490203 
1 1 1   13   27  -25 o  ?   ?  -1215.5610  162.733 -1258.4330  260.645 -1188.1740  208.325  ?   ?   ?   ?       ?      ? 
1 1 1   13   28  -25 o   22.407   6.1625  134.459  109.626  142.090  131.815  117.339  197.426   21.931   8.0033   22.883   9.3731 -0.9516945 12.32502 
1 1 1   13   29  -25 o   48.019   4.3984  711.799  120.836  593.229  161.805  861.310  181.694   43.415   6.4530   52.622   5.9785 -9.206234 8.796789 
1 1 1   13   30  -25 f   31.544   5.8870  320.066  105.781  248.635  130.619  456.192  180.316   27.013   7.8832   36.074   8.7455 -9.061321 11.77404 
1 1 1   13   31  -25 f   58.009   3.5850  1030.38  118.611  1007.13  155.367  1062.86  183.637   57.490   4.6793   58.529   5.4326 -1.038734 7.169997 
1 1 1   13   32  -25 o   24.874   5.9363  214.863  105.464  277.496  141.333  136.165  158.425   27.968   8.2111   21.780   8.5753 6.187801 11.87252 
1 1 1   13   33  -25 o   45.165   4.6500  662.136  120.540  572.185  162.974  770.776  179.106   41.643   6.7763   48.687   6.3696 -7.044426 9.299959 
1 1 1   13    0  -26 o   14.877   10.499 -910.5778  170.469 -1052.3020  193.329 -415.3638  361.387   14.877   10.499   14.877   10.499 -0.000000 0.000000 
1 1 1   13    1  -26 o   17.898   5.7339 -91.3302  126.335 -35.9956  157.880 -189.8348  210.649   17.962   7.8923   17.833   8.3200 0.1290207 11.46786 
1 1 1   13    2  -26 o   60.673   4.2822  1083.98  149.183  1156.37  205.106  1002.67  217.382   62.891   5.6468   58.455   6.4390 4.436363 8.564336 
1 1 1   13    3  -26 o   95.676   3.6693  2693.12  194.830  2590.66  320.389  2753.24  245.422   94.074   5.8969   97.278   4.3683 -3.204414 7.338629 
1 1 1   13    4  -26 o   44.745   5.5594  646.233  132.922  826.935  176.461  409.211  202.097   53.161   5.7473   36.328   9.5181 16.83386 11.11872 
1 1 1   13    5  -26 o   74.860   3.4763  1681.73  135.928  1752.25  162.889  1519.99  246.679   77.687   3.6304   72.033   5.9295 5.654076 6.952605 
1 1 1   13    6  -26 o   68.384   3.7310  1305.27  141.309  1581.55  244.771  1167.15  173.061   73.492   5.7668   63.276   4.7356 10.21537 7.462030 
1 1 1   13    7  -26 o   71.429   3.8246  1481.65  154.333  1443.14  197.483  1542.07  247.366   70.332   4.8618   72.527   5.9055 -2.195030 7.649285 
1 1 1   13    8  -26 o  102.894   3.4490  3073.73  204.957   0.0000   0.0000  3073.73  204.957  ?   ?   102.894   3.4490      ?      ? 
1 1 1   13    9  -26 o   43.366   7.4697  592.708  171.531  535.292  340.559  612.225  198.555   41.300   12.881   45.432   7.5672 -4.132240 14.93930 
1 1 1   13   10  -26 o   76.716   3.5878  1732.51  157.820  1852.05  215.857  1595.21  231.329   79.648   4.6925   73.784   5.4285 5.864098 7.175571 
1 1 1   13   11  -26 o  129.717   2.1910  4974.94  155.513  5189.28  193.753  4586.82  260.722  133.831   2.5067  125.603   3.5941 8.227737 4.381940 
1 1 1   13   12  -26 o  ?   ?  -838.5767  134.817 -859.1537  199.584 -821.3085  182.835  ?   ?   ?   ?       ?      ? 
1 1 1   13   13  -26 o  ?   ?  -894.7290  123.544 -789.9379  179.480 -989.0906  170.314  ?   ?   ?   ?       ?      ? 
1 1 1   13   14  -26 o   89.820   2.8672  2359.38  145.088  2376.70  186.192  2332.60  231.503   90.348   3.5683   89.292   4.4891 1.055611 5.734479 
1 1 1   13   15  -26 o  112.222   2.5153  3664.90  156.755  3653.62  196.291  3684.76  260.439  112.120   3.0313  112.324   4.0146 -0.2046280 5.030540 
1 1 1   13   16  -26 o   63.411   3.9336  1186.54  141.595  1200.72  222.068  1176.82  183.807   63.596   6.0460   63.225   5.0337 0.3707085 7.867167 
1 1 1   13   17  -26 o   94.085   2.8363  2601.63  153.386  2443.24  223.567  2742.50  210.833   91.294   4.2401   96.876   3.7682 -5.581421 5.672586 
1 1 1   13   18  -26 o   50.587   6.1654  923.049  141.732  587.278  281.864  1036.68  163.969   41.888   11.363   59.287   4.7887 -17.39864 12.33075 
1 1 1   13   19  -26 o   37.235   7.2781  454.028  161.013  409.190  214.700  511.658  243.406   35.278   10.051   39.193   10.529 -3.915043 14.55624 
1 1 1   13   20  -26 o   60.546   4.0571  1093.59  139.393  1070.89  180.344  1127.28  219.689   59.965   5.2074   61.128   6.2228 -1.162735 8.114169 
1 1 1   13   21  -26 o   34.038   7.5197  301.966  137.364  231.418  152.674  601.752  314.722   27.020   8.6500   41.057   12.303 -14.03783 15.03943 
1 1 1   13   22  -26 o   47.802   5.8718  708.584  148.173  809.511  264.727  662.541  178.806   49.162   9.6681   46.441   6.6665 2.721645 11.74367 
1 1 1   13   23  -26 o   21.837   6.5165   54.594  133.403   20.496  163.072  123.582  231.952   19.073   8.2028   24.601   10.128 -5.528530 13.03299 
1 1 1   13   24  -26 o   68.502   3.8122  1442.59  147.746  1301.15  225.475  1549.02  195.586   65.131   5.9941   71.873   4.7118 -6.741997 7.624362 
1 1 1   13   25  -26 o   43.066   5.2099  611.968  120.933  529.659  192.679  665.468  155.340   39.556   8.6730   46.576   5.7748 -7.019878 10.41970 
1 1 1   13   26  -26 o   15.760   5.2931 -171.7282  129.739 -110.8276  164.429 -272.1820  211.179   15.803   7.3653   15.717   7.6039 0.8594227E-01 10.58615 
1 1 1   13   27  -26 o   27.405   6.7641  244.215  143.023  373.378  193.230   87.711  212.701   32.349   9.6280   22.460   9.5035 9.888962 13.52828 
1 1 1   13   28  -26 o   29.282   6.6053  308.678  134.573  170.061  210.067  405.162  175.258   24.587   9.8126   33.978   8.8448 -9.390800 13.21054 
1 1 1   13   29  -26 o   42.731   5.3322  588.649  124.803  538.144  156.445  677.044  206.972   41.073   6.5950   44.388   8.3807 -3.314571 10.66444 
1 1 1   13   30  -26 o   43.760   5.0475  614.131  110.883  591.373  130.169  674.318  211.688   43.758   5.1507   43.762   8.6821 -0.4356384E-02 10.09498 
1 1 1   13   31  -26 o   13.085   4.6425 -360.6698  127.005 -300.1683  146.288 -545.8604  255.938   11.586   5.7475   14.583   7.2924 -2.997082 9.285078 
1 1 1   13    0  -27 o  111.778   3.6733  3632.35  170.962  3622.24  186.123  3686.96  432.467  111.774   2.8876  111.782   6.7553 -0.000000 0.000000 
1 1 1   13    1  -27 o   60.135   3.5296  1056.39  122.553  1033.68  170.941  1080.42  175.795   59.472   4.9768   60.797   5.0065 -1.325283 7.059271 
1 1 1   13    2  -27 o   36.031   5.4397  429.567  113.467  200.172  173.611  600.620  149.917   26.819   9.2436   45.242   5.7375 -18.42276 10.87947 
1 1 1   13    3  -27 o   32.537   6.2186  333.218  120.311  272.356  185.033  377.795  158.355   30.121   9.5100   34.952   8.0154 -4.831038 12.43728 
1 1 1   13    4  -27 o   74.635   3.9207  1676.53  155.194  1749.92  188.199  1520.57  274.353   77.498   4.2047   71.771   6.6187 5.726936 7.841389 
1 1 1   13    5  -27 o   31.184   6.7344  308.728  128.834  191.251  251.495  350.524  150.012   28.710   10.938   33.658   7.8595 -4.948011 13.46885 
1 1 1   13    6  -27 o   58.489   4.3289  1011.92  145.074  1046.32  195.439  969.701  216.504   59.682   5.6700   57.295   6.5428 2.387505 8.657776 
1 1 1   13    7  -27 o   66.267   4.1269  1334.76  150.584  1128.08  241.667  1465.93  192.529   61.719   6.7797   70.815   4.7075 -9.095524 8.253784 
1 1 1   13    8  -27 f   27.950   7.8298   91.794  172.906  325.856  332.832   5.2761  202.354   34.534   12.700   21.366   9.1618 13.16801 15.65965 
1 1 1   13    9  -27 o   21.931   6.9964 -111.0990  140.251 -153.8527  154.027   96.342  339.280   14.923   7.0111   28.938   12.110 -14.01528 13.99272 
1 1 1   13   10  -27 o   97.335   2.5468  2708.19  131.791  2887.84  242.217  2632.65  157.078   99.438   4.2176   95.233   2.8559 4.204575 5.093573 
1 1 1   13   11  -27 o   58.146   3.5450  990.217  118.879  938.865  163.001  1048.57  173.754   56.544   4.9913   59.748   5.0353 -3.203442 7.090012 
1 1 1   13   12  -27 o   31.370   7.4522  295.795  160.069  258.074  226.523  333.415  226.221   29.961   10.545   32.779   10.533 -2.817923 14.90446 
1 1 1   13   13  -27 o   96.124   2.9536  2709.31  163.524  2485.01  231.546  2932.50  230.970   92.092   4.3534  100.156   3.9930 -8.063911 5.907280 
1 1 1   13   14  -27 o   38.803   5.7381  474.693  122.707  481.782  159.535  464.423  192.010   39.434   7.2729   38.172   8.8773 1.261757 11.47611 
1 1 1   13   15  -27 o   29.104   7.5340  140.643  132.860  467.576  325.517   75.294  145.534   37.745   12.663   20.463   8.1673 17.28181 15.06807 
1 1 1   13   16  -27 o   43.920   5.7118  597.462  137.864  677.705  216.350  542.603  178.887   46.271   8.4055   41.569   7.7359 4.701653 11.42351 
1 1 1   13   17  -27 o   70.195   3.8871  1458.72  156.083  1394.27  205.191  1547.23  240.446   68.491   5.1873   71.899   5.7904 -3.408157 7.774107 
1 1 1   13   18  -27 o   54.614   3.8789  897.839  121.199  844.451  180.745  941.456  163.371   52.978   5.9072   56.251   5.0288 -3.272404 7.757837 
1 1 1   13   19  -27 o   55.828   6.4037  1070.71  163.235  884.127  331.930  1130.23  187.471   50.220   11.667   61.435   5.2836 -11.21502 12.80750 
1 1 1   13   20  -27 o   56.060   4.2687  967.660  134.641  893.010  210.428  1019.41  175.200   53.844   6.7668   58.277   5.2054 -4.432808 8.537305 
1 1 1   13   21  -27 o   39.613   5.8576  461.996  123.545  349.576  148.354  716.372  223.159   32.602   7.9504   46.624   8.6045 -14.02157 11.71518 
1 1 1   13   22  -27 o   29.615   7.4161  285.604  161.687  199.140  224.371  379.011  233.204   26.439   10.264   32.791   10.707 -6.351786 14.83212 
1 1 1   13   23  -27 o   67.827   3.6326  1377.78  138.650  1463.66  225.277  1325.42  175.915   69.186   5.6378   66.468   4.5825 2.718140 7.265291 
1 1 1   13   24  -27 o   44.684   6.6505  691.840  160.411  666.479  276.423  704.718  196.970   42.340   11.150   47.028   7.2521 -4.687252 13.30091 
1 1 1   13   25  -27 o   27.274   5.4256  215.223  104.210   34.155  139.596  443.150  156.620   18.053   7.6718   36.495   7.6741 -18.44185 10.85120 
1 1 1   13   26  -27 o   56.689   4.7929  974.679  156.921  974.679  156.921   0.0000   0.0000   56.689   4.7929  ?   ?       ?      ? 
1 1 1   13   27  -27 o   46.946   6.0691  777.777  150.025  666.391  252.249  838.742  186.619   42.312   10.397   51.581   6.2645 -9.268120 12.13822 
1 1 1   13   28  -27 o   16.186   5.4241 -145.3674  128.485 -167.3280  160.524 -106.2157  214.336   14.352   6.8618   18.020   8.4022 -3.668384 10.84813 
1 1 1   13   29  -27 o   18.725   5.9272 -15.9349  133.366   62.250  193.265 -87.0122  184.272   20.563   8.8866   16.886   7.8458 3.676647 11.85449 
1 1 1   13   30  -27 o   50.956   4.1350  801.333  115.590  745.342  141.056  915.796  201.681   48.988   4.9856   52.923   6.5983 -3.934910 8.270053 
1 1 1   13    0  -28 f   33.218   9.5793  490.815  203.984  616.714  256.213  272.869  337.106   40.867   12.433   25.568   14.577 -0.000000 0.000000 
1 1 1   13    1  -28 o   73.730   4.0554  1574.19  170.773  1422.37  222.224  1793.17  266.880   69.516   5.5351   77.944   5.9285 -8.428459 8.110753 
1 1 1   13    2  -28 o   68.054   4.4247  1236.99  150.868  1117.61  171.189  1652.20  319.252   61.761   4.7993   74.347   7.4351 -12.58596 8.849464 
1 1 1   13    3  -28 o   89.086   4.1369  2268.03  184.673  2195.61  212.100  2494.98  375.482   86.697   4.2359   91.475   7.1073 -4.777809 8.273839 
1 1 1   13    4  -28 o   16.901   5.6804 -355.1441  142.628 -529.8260  177.288 -34.6678  240.134   11.649   5.8589   22.153   9.7335 -10.50420 11.36084 
1 1 1   13    5  -28 o   24.041   6.7887   87.884  145.103   7.5704  198.706  179.642  212.391   21.160   9.0763   26.922   10.098 -5.761705 13.57740 
1 1 1   13    6  -28 o   84.136   3.7762  2114.18  180.382  2301.48  241.460  1877.64  271.344   88.592   4.7192   79.680   5.8964 8.911987 7.552316 
1 1 1   13    7  -28 o   55.177   5.5890  919.475  177.923  948.487  249.060  889.237  254.262   56.132   7.6826   54.221   8.1194 1.910469 11.17801 
1 1 1   13    8  -28 o   83.272   3.4614  1970.49  162.320  1753.21  203.960  2345.85  268.076   77.315   4.5677   89.229   5.2020 -11.91381 6.922719 
1 1 1   13    9  -28 o   24.388   6.4663   37.386  145.326  322.435  215.627 -199.8610  196.717   32.141   10.279   16.635   7.8486 15.50569 12.93269 
1 1 1   13   10  -28 o   24.559   7.5017   55.279  145.095   59.027  156.678   32.704  384.508   20.481   8.3650   28.637   12.455 -8.156860 15.00344 
1 1 1   13   11  -28 o   41.058   6.4981  526.322  139.582  507.475  165.673  572.428  259.124   40.417   7.3689   41.698   10.705 -1.281170 12.99615 
1 1 1   13   12  -28 o   17.460   6.1491 -431.6400  170.265 -430.9066  191.065 -434.4686  375.245   13.255   6.5743   21.665   10.393 -8.409266 12.29815 
1 1 1   13   13  -28 o   47.496   5.8274  795.363  130.187  893.920  152.644  532.370  249.349   55.001   4.8053   39.990   10.618 15.01125 11.65483 
1 1 1   13   14  -28 f   25.374   6.2516  187.038  111.344  175.775  146.164  202.610  171.869   24.513   8.4796   26.236   9.1883 -1.723286 12.50312 
1 1 1   13   15  -28 o   37.502   5.6863  543.950  108.018  242.032  222.065  637.529  123.630   28.597   10.395   46.406   4.6128 -17.80869 11.37264 
1 1 1   13   16  -28 o   28.754   7.5523  146.617  137.363  481.310  324.375   73.482  151.630   37.091   12.639   20.417   8.2702 16.67425 15.10468 
1 1 1   13   17  -28 o   52.806   4.2995  846.377  130.905  839.218  179.728  854.466  191.047   52.640   5.9118   52.973   6.2445 -0.3335876 8.598988 
1 1 1   13   18  -28 o   28.883   8.0758  179.322  182.693   90.982  214.527  412.498  348.534   23.232   9.6674   34.533   12.939 -11.30120 16.15160 
1 1 1   13   19  -28 o   55.482   5.0518  962.054  157.861  959.222  202.575  966.432  251.901   55.864   6.2787   55.099   7.9158 0.7643700 10.10359 
1 1 1   13   20  -28 o   59.242   4.1038  1081.80  137.378  1025.40  213.923  1121.39  179.216   57.537   6.4376   60.947   5.0914 -3.410381 8.207647 
1 1 1   13   21  -28 o   72.053   3.6578  1556.03  151.011  1437.01  198.950  1717.80  231.954   68.955   4.9957   75.150   5.3442 -6.195091 7.315566 
1 1 1   13   22  -28 o  100.586   2.2182  2965.67  128.501  2816.34  173.977  3144.94  190.618   97.847   3.0786  103.325   3.1943 -5.478317 4.436364 
1 1 1   13   23  -28 o   40.796   5.3097  544.224  120.088  504.567  161.733  592.952  179.280   39.171   7.4208   42.422   7.5964 -3.250805 10.61947 
1 1 1   13   24  -28 o   15.434   5.4283 -261.7987  128.682 -363.5261  308.200 -240.3203  141.617   18.646   9.0599   12.221   5.9821 6.425244 10.85664 
1 1 1   13   25  -28 o   20.903   6.1203   78.284  128.327 -224.7238  266.509  169.742  146.418   18.555   8.8632   23.252   8.4426 -4.696550 12.24065 
1 1 1   13   26  -28 o   24.200   6.0896  193.059  109.868  130.004  167.912  240.265  145.287   22.054   8.7820   26.346   8.4386 -4.291876 12.17917 
1 1 1   13   27  -28 o   49.897   5.2354  861.548  138.462  641.039  210.496  1029.73  183.832   42.391   8.8821   57.403   5.5450 -15.01269 10.47084 
1 1 1   13   28  -28 o   44.036   6.6377  656.341  135.543  617.205  150.827  820.621  309.016   44.023   5.9321   44.048   11.876 -0.2492142E-01 13.27530 
1 1 1   13    0  -29 o   13.455   6.8593 -630.4577  257.666 -860.7627  356.063 -377.2619  373.339   11.561   8.4610   15.349   10.799 -0.000000 0.000000 
1 1 1   13    1  -29 o   14.590   7.4061 -1015.4060  188.053 -950.5787  230.526 -1144.3600  325.129  ?   ?    14.590   7.4061      ?      ? 
1 1 1   13    2  -29 o   38.542   6.4542  446.580  153.251  221.369  204.609  734.370  231.295   27.995   10.004   49.090   8.1580 -21.09562 12.90847 
1 1 1   13    3  -29 f   60.764   4.2857  1098.64  150.034  1091.19  204.908  1107.26  220.287   60.603   5.8544   60.925   6.2605 -0.3219872 8.571311 
1 1 1   13    4  -29 o   52.597   5.7581  834.825  173.854  937.860  264.090  756.020  230.961   55.389   8.2555   49.805   8.0293 5.584167 11.51620 
1 1 1   13    5  -29 o   93.687   3.0155  2590.91  161.203  2689.45  214.626  2463.37  244.171   95.872   3.8762   91.502   4.6204 4.369850 6.030980 
1 1 1   13    6  -29 o   64.562   4.5479  1244.18  169.031  1191.55  228.320  1308.00  251.440   63.118   6.2633   66.006   6.5957 -2.888367 9.095793 
1 1 1   13    7  -29 o   44.292   7.8967  631.867  197.238  771.096  323.770  549.706  248.718   47.776   11.803   40.807   10.494 6.968601 15.79346 
1 1 1   13    8  -29 o   16.778   5.7220 -360.3116  144.725 -489.8389  174.590 -75.8260  258.744   11.761   5.9012   21.795   9.8052 -10.03422 11.44401 
1 1 1   13    9  -29 o   39.613   6.7577  526.039  147.075  558.199  178.846  458.857  258.493   42.175   7.6231   37.052   11.160 5.122288 13.51544 
1 1 1   13   10  -29 o   40.110   6.2808  551.742  141.354  656.273  177.677  371.509  233.307   46.577   6.6051   33.643   10.685 12.93398 12.56152 
1 1 1   13   11  -29 f   24.202   6.7057  139.815  127.304  165.500  146.519   60.703  257.145   23.999   8.4772   24.404   10.393 -0.4052486 13.41146 
1 1 1   13   12  -29 o   49.248   6.0257  791.558  159.937  853.919  204.521  693.386  256.609   52.937   6.6895   45.560   10.024 7.377186 12.05147 
1 1 1   13   13  -29 o   15.819   5.4157 -307.0002  149.728 -360.6259  200.014 -238.6433  225.822   14.366   7.0481   17.271   8.2245 -2.904536 10.83135 
1 1 1   13   14  -29 o   46.807   7.1072  814.615  171.160  552.082  329.030  912.014  200.410   38.945   12.718   54.668   6.3475 -15.72303 14.21438 
1 1 1   13   15  -29 o   37.297   8.4960  480.817  207.577  648.061  325.412  366.078  269.535   41.829   12.505   32.764   11.505 9.064651 16.99191 
1 1 1   13   16  -29 o   49.143   4.4207  736.031  123.549  922.398  182.479  578.285  167.883   55.079   5.7364   43.206   6.7279 11.87359 8.841389 
1 1 1   13   17  -29 o   25.766   6.3235  210.081  115.673  179.961  168.256  237.074  159.285   24.609   9.0328   26.923   8.8520 -2.313700 12.64704 
1 1 1   13   18  -29 o   33.857   6.0823  393.002  125.500  546.324  176.098  234.757  178.903   40.839   7.7497   26.875   9.3765 13.96338 12.16458 
1 1 1   13   19  -29 o   19.858   6.5312 -127.4932  180.880 -251.0387  293.644 -51.9534  229.613   19.601   9.3464   20.115   9.1252 -0.5137997 13.06234 
1 1 1   13   20  -29 o   52.682   4.6110  856.774  138.435  949.224  217.736  794.046  179.352   54.799   6.8797   50.566   6.1413 4.233025 9.222074 
1 1 1   13   21  -29 o   93.526   2.4545  2503.73  123.514  2827.24  224.518  2363.33  147.906   97.344   3.9935   89.708   2.8548 7.636200 4.908967 
1 1 1   13   22  -29 f   20.403   5.9471   28.514  127.700  195.025  173.512 -168.2640  188.624   24.823   9.1630   15.983   7.5838 8.840558 11.89426 
1 1 1   13   23  -29 o   63.642   3.6020  1224.36  129.944  1319.29  207.256  1162.88  166.801   65.359   5.4906   61.925   4.6639 3.433842 7.204033 
1 1 1   13   24  -29 o   41.188   8.1969  667.285  189.723  653.133  219.897  708.499  375.263   42.835   9.1656   39.541   13.592 3.294147 16.39377 
1 1 1   13   25  -29 f   37.961   5.9117  510.440  119.445  472.016  217.430  527.048  142.945   35.140   10.147   40.783   6.0689 -5.643314 11.82330 
1 1 1   13   26  -29 o   45.215   5.7571  646.484  150.339  646.484  150.339   0.0000   0.0000   45.215   5.7571  ?   ?       ?      ? 
1 1 1   13   27  -29 o   13.848   4.8206 -312.1877  136.159 -364.6913  202.248 -268.6654  184.139   13.753   6.8109   13.942   6.8239 -0.1893806 9.641258 
1 1 1   13    0  -30 o   34.423   9.0332  520.707  172.131  386.762  335.109  568.713  200.620   28.388   15.104   40.458   9.9133 -0.000000 0.000000 
1 1 1   13    1  -30 o   43.529   4.4049  569.922  110.677  544.355  154.265  597.041  158.878   42.509   6.2836   44.550   6.1749 -2.041233 8.809825 
1 1 1   13    2  -30 o   33.613   7.1787  410.958  163.113  518.175  185.203   40.214  344.393   40.263   8.2420   26.962   11.756 13.30062 14.35747 
1 1 1   13    3  -30 o   71.992   4.1736  1584.39  167.902  1695.71  217.130  1418.82  264.804   75.590   4.9736   68.395   6.7037 7.195328 8.347262 
1 1 1   13    4  -30 o   36.471   7.9216  472.964  200.158  624.780  245.326  170.687  346.168   43.375   9.9980   29.566   12.290 13.80871 15.84311 
1 1 1   13    5  -30 o   63.951   5.9637  1247.61  185.407  1220.40  211.178  1339.13  387.291   63.792   5.7319   64.111   10.460 -0.3187332 11.92731 
1 1 1   13    6  -30 o   82.212   2.9562  1961.35  137.967  1831.86  177.085  2161.34  220.077   78.931   3.8846   85.494   4.4571 -6.563087 5.912409 
1 1 1   13    7  -30 o   51.482   6.5596  792.207  173.633  1031.86  333.698  703.232  203.326   55.213   10.852   47.750   7.3728 7.463211 13.11925 
1 1 1   13    8  -30 o   25.018   7.0067  144.762  148.743  135.351  194.738  157.941  230.450   24.130   9.5052   25.905   10.297 -1.775013 14.01334 
1 1 1   13    9  -30 o   20.216   5.9121   28.951  113.926 -49.5851  147.223  146.176  179.868   16.454   7.3998   23.978   9.2226 -7.524622 11.82425 
1 1 1   13   10  -30 o   19.448   6.2196 -74.1739  128.512 -117.5817  148.404   55.978  256.972   14.958   6.9803   23.938   10.296 -8.979504 12.43923 
1 1 1   13   11  -30 o   57.745   4.9135  1008.20  133.127  990.922  149.617  1073.85  291.698   57.717   4.4884   57.773   8.7422 -0.5603027E-01 9.827087 
1 1 1   13   12  -30 o   50.646   6.9084  915.830  177.299  727.223  323.003  997.162  212.110   44.359   12.218   56.934   6.4507 -12.57516 13.81675 
1 1 1   13   13  -30 o   58.749   4.1772  1051.93  141.547  1128.53  204.872  981.977  195.792   60.832   5.8313   56.666   5.9826 4.166145 8.354361 
1 1 1   13   14  -30 o   22.655   7.2579 -118.4142  201.486  150.975  328.659 -280.6247  255.033   27.513   11.733   17.797   8.5460 9.716009 14.51581 
1 1 1   13   15  -30 o   64.915   3.6741  1263.85  136.465  1368.08  210.605  1188.42  179.167   67.054   5.4383   62.775   4.9418 4.278492 7.348185 
1 1 1   13   16  -30 o   51.018   5.0295  787.695  144.881  625.468  184.471  1048.85  234.054   44.412   7.1918   57.624   7.0327 -13.21225 10.05891 
1 1 1   13   17  -30 o   67.502   4.9591  1430.53  188.948  1382.06  241.600  1506.87  303.194   66.637   6.2777   68.367   7.6787 -1.729988 9.918265 
1 1 1   13   18  -30 o   22.766   7.0749   48.402  174.092   69.402  215.009   8.4259  296.654   22.114   9.4622   23.419   10.521 -1.304480 14.14981 
1 1 1   13   19  -30 o   50.605   6.2139  800.193  181.611  800.193  181.611   0.0000   0.0000   50.605   6.2139  ?   ?       ?      ? 
1 1 1   13   20  -30 o   43.481   7.8355  631.988  189.528  631.988  189.528   0.0000   0.0000   43.481   7.8355  ?   ?       ?      ? 
1 1 1   13   21  -30 o   26.280   6.7395  232.575  130.457  231.581  206.587  233.234  168.247   26.404   9.9481   26.157   9.0949 0.2474899 13.47891 
1 1 1   13   22  -30 o   65.857   3.5437  1252.19  122.764  1529.51  235.327  1148.51  143.896   69.885   5.8305   61.829   4.0297 8.055363 7.087494 
1 1 1   13   23  -30 o   24.604   6.4375  202.222  121.238  203.378  168.073  200.969  175.054   24.613   9.0288   24.594   9.1786 0.1934624E-01 12.87506 
1 1 1   13   24  -30 o   54.194   4.1047  930.069  128.264  930.086  176.644  930.050  186.545   54.337   5.6288   54.050   5.9758 0.2864265 8.209414 
1 1 1   13   25  -30 o   20.327   6.0177   87.264  106.401  136.115  209.111   70.198  123.597   22.606   9.4861   18.048   7.4072 4.557287 12.03546 
1 1 1   13    0  -31 o   11.066   5.7125 -634.2456  211.765 -576.0018  270.704 -726.0972  339.949   10.481   7.6375   11.650   8.4970 -0.000000 0.000000 
1 1 1   13    1  -31 o   15.887   5.6162 -357.8844  146.107 -473.6884  336.120 -330.9049  162.237   19.248   9.3769   12.525   6.1838 6.723309 11.23233 
1 1 1   13    2  -31 o   15.258   5.1019 -201.3902  123.921 -68.8147  165.766 -369.3396  186.575   17.028   7.7357   13.488   6.6542 3.539237 10.20387 
1 1 1   13    3  -31 o   16.212   5.7813 -690.5349  192.245 -396.7910  342.490 -825.6616  232.292   20.223   9.7595   12.202   6.2003 8.021050 11.56256 
1 1 1   13    4  -31 o   46.594   4.2769  655.385  112.822  632.899  144.903  690.003  179.790   45.804   5.4776   47.383   6.5698 -1.579632 8.553764 
1 1 1   13    5  -31 o   53.936   6.5334  933.984  194.771  847.001  247.290  1076.11  316.106   51.525   8.3101   56.347   10.084 -4.822475 13.06677 
1 1 1   13    6  -31 o   21.934   6.9012 -29.4458  179.087   61.957  246.484 -131.6504  260.641   23.552   10.106   20.316   9.4013 3.235983 13.80249 
1 1 1   13    7  -31 o   48.479   5.1119  735.003  143.087  722.295  199.501  748.465  205.337   48.070   7.1860   48.888   7.2724 -0.8180656 10.22378 
1 1 1   13    8  -31 o   26.544   7.0113  118.381  176.282  417.768  240.798 -227.3723  258.773   34.361   10.849   18.726   8.8847 15.63464 14.02263 
1 1 1   13    9  -31 o   18.584   6.2799 -296.0206  184.540 -428.8965  240.101 -104.2269  288.461   15.478   7.6187   21.691   9.9851 -6.213326 12.55974 
1 1 1   13   10  -31 o   48.942   6.7974  857.072  176.347  954.627  218.649  675.506  298.291   55.267   6.8501   42.618   11.743 12.64939 13.59489 
1 1 1   13   11  -31 o   54.221   4.4843  889.169  131.847  848.592  159.664  976.156  233.771   52.915   5.2245   55.526   7.2896 -2.611496 8.968504 
1 1 1   13   12  -31 o   61.114   6.4020  1362.32  146.329  1419.04  159.701  1065.53  365.299   69.070   4.0034   53.159   12.162 15.91124 12.80396 
1 1 1   13   13  -31 o   52.807   6.0065  897.948  168.680  842.677  205.515  1012.04  295.275   51.699   6.8829   53.914   9.8457 -2.214401 12.01303 
1 1 1   13   14  -31 o   40.233   5.7673  534.250  128.690  466.790  170.411  623.776  196.314   37.255   8.1470   43.211   8.1655 -5.956043 11.53467 
1 1 1   13   15  -31 o   86.431   2.8392  2281.97  135.543  2443.64  172.530  2021.30  219.074   90.987   3.2832   81.876   4.6329 9.110947 5.678307 
1 1 1   13   16  -31 o   18.075   5.8739 -105.7558  133.207   36.801  226.003 -181.6431  164.893   21.637   9.4763   14.514   6.9435 7.122998 11.74784 
1 1 1   13   17  -31 o   17.461   8.5613 -822.0913  154.904 -974.6890  182.328 -426.1683  293.687  ?   ?    17.461   8.5613      ?      ? 
1 1 1   13   18  -31 o   37.200   6.8322  590.197  145.752  658.364  158.855  227.372  366.493   45.889   5.9939   28.512   12.280 17.37705 13.66449 
1 1 1   13   19  -31 o   48.157   5.1019  744.805  135.328  985.956  205.290  559.479  179.967   55.756   6.3752   40.559   7.9671 15.19724 10.20377 
1 1 1   13   20  -31 o   16.125   5.4364 -209.7777  145.656 -407.2043  226.798 -71.1852  190.023   14.684   7.2612   17.566   8.0928 -2.881996 10.87288 
1 1 1   13   21  -31 o   22.164   6.4248   93.610  145.477 -113.7290  226.596  238.995  189.746   18.257   8.5538   26.071   9.5888 -7.814655 12.84961 
1 1 1   13   22  -31 o   32.358   5.9831  370.239  111.058  422.946  177.903  336.584  142.160   33.857   8.9588   30.858   7.9329 2.999498 11.96627 
1 1 1   13   23  -31 o   38.466   5.7610  527.786  123.963  525.728  172.913  529.961  177.811   38.485   8.0387   38.447   8.2544 0.3855896E-01 11.52197 
1 1 1   13    0  -32 o   13.954   7.0334 -292.1882  175.453 -14.8739  352.705 -383.3769  202.253   18.466   12.290   9.4409   6.8440 -0.000000 0.000000 
1 1 1   13    1  -32 o   59.836   3.7704  1089.27  123.706  1097.14  153.337  1074.58  209.359   60.614   4.3801   59.057   6.1381 1.557285 7.540708 
1 1 1   13    2  -32 o   44.280   6.1714  604.694  157.824  604.694  157.824   0.0000   0.0000   44.280   6.1714  ?   ?       ?      ? 
1 1 1   13    3  -32 o   48.404   4.7815  731.152  131.186  726.795  170.209  737.529  205.896   48.586   6.0658   48.222   7.3930 0.3639984 9.562988 
1 1 1   13    4  -32 o   46.764   5.4401  716.243  139.490  649.421  215.616  764.340  182.927   43.886   8.8130   49.642   6.3803 -5.756237 10.88011 
1 1 1   13    5  -32 o   59.823   3.8542  1056.78  129.367  1231.95  215.355  957.877  161.817   63.323   5.8886   56.323   4.9745 6.999584 7.708477 
1 1 1   13    6  -32 o   20.505   6.1637   32.066  135.235 -144.1509  222.783  134.884  170.174   18.204   8.5140   22.805   8.9148 -4.601107 12.32730 
1 1 1   13    7  -32 f   44.596   5.7719  647.802  142.650  620.035  183.717  689.960  226.369   44.207   7.1956   44.986   9.0267 -0.7781906 11.54378 
1 1 1   13    8  -32 o   45.212   5.6504  636.028  139.892  988.177  223.746  410.023  179.246   55.951   6.9241   34.472   8.9310 21.47895 11.30071 
1 1 1   13    9  -32 o   53.812   4.6804  902.259  144.877  1018.38  214.656  805.110  196.340   57.036   6.5165   50.589   6.7200 6.446957 9.360718 
1 1 1   13   10  -32 o   33.240   7.2452  401.143  151.946  379.568  242.428  415.103  195.001   32.230   10.927   34.249   9.5167 -2.018703 14.49031 
1 1 1   13   11  -32 o   13.466   4.7664 -536.8229  156.352 -619.7808  234.769 -470.7021  209.595   13.456   6.7644   13.476   6.7170 -0.2022076E-01 9.532870 
1 1 1   13   12  -32 o   75.467   4.1563  1753.10  180.091  1512.12  245.250  2035.10  265.304   69.682   6.0940   81.252   5.6536 -11.56951 8.312617 
1 1 1   13   13  -32 o   28.552   6.7576  289.384  142.735  393.829  180.676  115.969  232.809   33.402   9.1127   23.702   9.9809 9.700104 13.51516 
1 1 1   13   14  -32 o   22.406   6.8258   39.268  155.988 -51.4057  194.780  201.417  260.471   18.382   8.3643   26.430   10.789 -8.048361 13.65168 
1 1 1   13   15  -32 o   51.809   6.2804  846.227  187.921  846.227  187.921   0.0000   0.0000   51.809   6.2804  ?   ?       ?      ? 
1 1 1   13   16  -32 o   13.945   6.8365 -302.6869  187.182 -302.6869  187.182   0.0000   0.0000   13.945   6.8365  ?   ?       ?      ? 
1 1 1   13   17  -32 o   37.429   6.0954  550.256  127.155  639.223  150.899  332.375  236.146   45.166   5.7848   29.691   10.731 15.47569 12.19071 
1 1 1   13   18  -32 o   29.401   6.5262  317.855  132.993  440.350  181.037  174.248  196.018   34.857   8.9473   23.945   9.5031 10.91291 13.05236 
1 1 1   13   19  -32 o   50.801   5.4984  898.090  148.425  969.505  189.241  783.937  239.256   55.242   5.9315   46.360   9.2599 8.881523 10.99671 
1 1 1   13   20  -32 o   20.507   6.4744   39.180  149.810   56.464  181.637   2.4069  264.938   19.794   8.5847   21.220   9.6940 -1.425491 12.94874 
1 1 1   13    0  -33 o   87.344   4.1465  2239.85  169.539  2430.06  369.533  2189.14  190.805   88.521   7.3443   86.168   3.8516 -0.000000 0.000000 
1 1 1   13    1  -33 o   13.079   4.6078 -454.5234  140.350 -283.4541  170.795 -810.2493  246.290   13.423   6.5702   12.735   6.4622 0.6885386 9.215672 
1 1 1   13    2  -33 o   71.342   4.1307  1612.61  164.867  1841.18  219.988  1319.74  249.017   77.963   4.8857   64.721   6.6619 13.24223 8.261378 
1 1 1   13    3  -33 o   32.478   7.1571  376.588  146.924  406.896  230.071  355.716  190.925   33.287   10.615   31.669   9.6034 1.617901 14.31410 
1 1 1   13    4  -33 o   32.485   6.9516  428.524  160.006   14.415  352.792  535.766  179.532   25.006   11.331   39.964   8.0566 -14.95753 13.90321 
1 1 1   13    5  -33 o   24.579   7.1280  132.275  161.112   56.161  210.466  240.008  250.394   21.582   9.3005   27.576   10.804 -5.993397 14.25597 
1 1 1   13    6  -33 o   22.711   7.1907   15.279  147.750  171.893  357.287 -17.0288  162.276   27.721   12.031   17.702   7.8787 10.01836 14.38136 
1 1 1   13    7  -33 o   43.625   7.2454  695.974  143.914  661.869  360.349  702.446  156.977   39.565   13.323   47.685   5.7000 -8.119457 14.49077 
1 1 1   13    8  -33 o   42.869   6.9227  632.635  154.762  725.535  291.955  596.328  182.515   43.429   11.470   42.308   7.7553 1.121510 13.84545 
1 1 1   13    9  -33 o   25.427   7.0998  194.449  148.700  107.515  288.567  225.880  173.511   24.848   10.798   26.006   9.2208 -1.158121 14.19956 
1 1 1   13   10  -33 o   26.756   6.4073  248.307  132.332   42.314  225.035  357.194  163.611   21.570   9.4512   31.942   8.6539 -10.37221 12.81469 
1 1 1   13   11  -33 o   78.008   3.3338  1788.85  147.302  1553.13  187.231  2171.75  238.628   71.636   4.5254   84.380   4.8966 -12.74393 6.667567 
1 1 1   13   12  -33 o   32.662   6.3806  361.173  144.983  652.058  211.291  102.348  199.307   43.199   8.7684   22.125   9.2716 21.07310 12.76116 
1 1 1   13   13  -33 o   33.214   7.1714  418.399  146.198  428.672  175.590  395.184  263.962   34.723   8.7572   31.706   11.359 3.017025 14.34279 
1 1 1   13   14  -33 o   16.981   5.9236 -333.2528  175.576 -342.4832  339.070 -329.8710  205.234   19.500   9.4810   14.462   7.1039 5.037821 11.84720 
1 1 1   13   15  -33 o   23.688   6.6183  136.529  146.910 -40.5104  211.360  302.006  204.341   18.942   8.6554   28.435   10.015 -9.492462 13.23660 
1 1 1   13   16  -33 o   33.398   7.3324  489.086  166.351  556.438  185.617  214.230  374.968   39.628   8.3725   27.169   12.040 12.45874 14.66477 
1 1 1   13   17  -33 o   44.520   6.5239  692.032  156.925  578.284  193.941  907.703  267.050   39.970   8.6522   49.070   9.7665 -9.099861 13.04778 
1 1 1   13    0  -34 o   60.967   5.7040  1074.82  174.735  1536.30  341.284  910.876  203.419   68.352   9.0958   53.581   6.8855 -0.000000 0.000000 
1 1 1   13    1  -34 o   21.171   6.1441   98.727  117.458  102.243  147.722   92.684  193.683   20.572   8.2224   21.770   9.1321 -1.198166 12.28829 
1 1 1   13    2  -34 f   23.689   7.3427   35.700  162.275 -35.8508  184.557  279.504  340.677   18.188   8.2227   29.189   12.168 -11.00065 14.68541 
1 1 1   13    3  -34 o   34.066   7.1873  440.828  155.619  349.033  238.275  509.108  205.502   30.580   10.809   37.552   9.4754 -6.971981 14.37459 
1 1 1   13    4  -34 o   32.096   8.0972  402.668  184.896  429.369  214.079  324.273  366.828   33.913   10.143   30.279   12.624 3.634266 16.19441 
1 1 1   13    5  -34 o   61.775   4.5550  1212.24  162.342  1274.61  230.080  1150.41  229.095   63.503   6.2734   60.048   6.6059 3.454796 9.110048 
1 1 1   13    6  -34 o   16.123   5.7682 -568.5530  183.014 -369.1544  359.073 -638.5308  212.717   20.033   9.7441   12.212   6.1757 7.820677 11.53635 
1 1 1   13    7  -34 o   53.247   5.6044  952.119  160.695  956.701  202.210  944.266  264.734   54.849   6.3833   51.644   9.2137 3.205097 11.20884 
1 1 1   13    8  -34 o   53.492   4.8146  929.630  147.327  1017.04  203.145  832.641  213.980   56.637   6.2104   50.347   7.3589 6.290466 9.629235 
1 1 1   13    9  -34 o   43.199   5.9883  662.296  139.595  585.587  230.395  706.791  175.471   39.418   10.081   46.980   6.4671 -7.562141 11.97663 
1 1 1   13   10  -34 o   16.487   5.4892 -275.6215  142.306 -554.3154  192.325   61.564  211.547   11.781   5.9475   21.192   9.2278 -9.411177 10.97840 
1 1 1   13   11  -34 o   15.888   5.4018 -203.1663  142.689 -209.9213  187.387 -193.8441  220.131   15.019   7.2410   16.756   8.0178 -1.736269 10.80355 
1 1 1   13   12  -34 o   79.450   5.1495  2127.99  219.463  1992.43  376.143  2197.96  270.227   75.350   8.6434   83.550   5.6001 -8.200264 10.29898 
1 1 1   13   13  -34 o   35.058   8.1049  549.463  191.984  589.313  221.829  430.535  383.220   39.201   9.8190   30.916   12.898 8.285580 16.20987 
1 1 1   13   14  -34 o   32.052   6.3482  387.447  122.187  400.115  164.758  371.964  182.145   32.991   8.5699   31.113   9.3678 1.878450 12.69637 
1 1 1   13    0  -35 o   39.478   11.176  765.642  245.815  799.505  377.191  740.643  324.089   39.290   16.518   39.666   15.059 -0.000000 0.000000 
1 1 1   13    1  -35 o   19.747   6.5686 -60.5174  141.688 -77.2362  155.381   21.994  345.185   15.645   7.2464   23.849   10.958 -8.204326 13.13715 
1 1 1   13    2  -35 o   20.354   6.2753   44.627  132.834  106.486  224.102   11.123  164.930   22.553   9.6553   18.155   8.0181 4.397852 12.55051 
1 1 1   13    3  -35 o   45.684   6.9342  779.555  177.369  800.038  245.541  757.205  256.493   46.754   9.4189   44.614   10.179 2.139153 13.86849 
1 1 1   13    4  -35 o   40.823   7.0191  633.956  164.921  545.771  232.294  723.582  234.184   37.317   10.393   44.329   9.4366 -7.012600 14.03813 
1 1 1   13    5  -35 o   47.291   7.7053  918.850  192.136  958.587  223.288  805.494  377.125   53.761   7.1914   40.821   13.630 12.94008 15.41064 
1 1 1   13    6  -35 f   52.287   4.4024  881.741  132.240  962.559  185.408  798.056  188.667   55.062   5.8303   49.512   6.5978 5.549728 8.804774 
1 1 1   13    7  -35 o   16.587   5.5049 -154.4523  124.151 -256.0821  151.981   49.391  215.242   12.430   6.1074   20.743   9.1606 -8.313261 11.00984 
1 1 1   13    8  -35 o   55.475   6.6271  1053.14  182.955  962.279  212.240  1315.94  360.946   54.015   6.8034   56.935   11.375 -2.920620 13.25411 
1 1 1   13    9  -35 o   17.183   5.5414 -48.4731  122.053   35.328  182.460 -116.3401  164.199   19.194   8.4574   15.173   7.1624 4.021209 11.08271 
1 1 1   14    0    0 o   9.7415   7.1840 -925.5992  297.446 -925.5992  297.446   0.0000   0.0000   9.7415   7.1840   9.7415   7.1840 -0.000000 0.000000 
1 1 1   14    1    0 o  192.937   2.5719 10787.03  284.808 10997.24  385.502 10534.40  422.610  195.028   3.4249  190.845   3.8377 -0.000000 0.000000 
1 1 1   14    2    0 o   25.559   12.013  277.033  199.309   0.0000   0.0000  277.033  199.309   25.559   12.013   25.559   12.013 -0.000000 0.000000 
1 1 1   14    3    0 o   36.823   10.762  559.592  233.800  456.305  354.168  639.367  311.259   32.676   15.931   40.969   14.473 -0.000000 0.000000 
1 1 1   14    4    0 o   16.328   7.1470   39.668  137.100 -34.2442  194.012  113.392  193.766   14.244   9.3567   18.412   10.806 -0.000000 0.000000 
1 1 1   14    5    0 o  152.353   2.3357  6797.97  186.083  6916.63  221.711  6515.17  342.277  154.691   2.4831  150.016   3.9568 -0.000000 0.000000 
1 1 1   14    6    0 o  221.298   2.3529 14149.07  300.649 14149.07  300.649   0.0000   0.0000  221.298   2.3529  221.298   2.3529 -0.000000 0.000000 
1 1 1   14    7    0 o   16.455   10.570   4.7585  229.100   0.0000   0.0000   4.7585  229.100   16.455   10.570   16.455   10.570 -0.000000 0.000000 
1 1 1   14    8    0 o  120.086   2.3456  4182.02  161.785  4091.70  237.911  4259.72  220.659  118.860   3.4724  121.312   3.1542 -0.000000 0.000000 
1 1 1   14    9    0 f   85.902   4.3085  2250.87  197.699  1895.83  327.213  2454.98  248.103   79.995   7.2175   91.809   4.7074 -0.000000 0.000000 
1 1 1   14   10    0 o  255.001   1.8905 18730.82  265.917 18983.77  449.500 18594.64  329.823  256.300   3.0376  253.703   2.2514 -0.000000 0.000000 
1 1 1   14   11    0 o  132.711   2.5910  5046.04  183.706  5243.64  331.718  4958.63  220.629  134.501   4.2801  130.921   2.9212 -0.000000 0.000000 
1 1 1   14   12    0 o  107.339   3.3041  3444.94  166.600  3519.83  188.918  3182.96  353.345  110.263   2.9715  104.415   5.9025 -0.000000 0.000000 
1 1 1   14   13    0 o  166.763   2.0376  8152.48  179.577  8325.94  215.723  7761.00  324.078  169.739   2.2014  163.787   3.4294 -0.000000 0.000000 
1 1 1   14   14    0 o   11.659   5.8019 -297.3062  159.546 -109.9581  205.145 -584.0767  253.807   13.196   8.9558   10.123   7.3783 -0.000000 0.000000 
1 1 1   14   15    0 o  147.223   2.4652  6275.57  209.092  6315.01  289.233  6232.39  302.623  147.718   3.3943  146.729   3.5759 -0.000000 0.000000 
1 1 1   14   16    0 o   12.739   8.9188 -252.8124  245.525 -252.8124  245.525   0.0000   0.0000   12.739   8.9188   12.739   8.9188 -0.000000 0.000000 
1 1 1   14   17    0 o  221.314   2.0860 14151.77  266.572 14151.77  266.572   0.0000   0.0000  221.314   2.0860  221.314   2.0860 -0.000000 0.000000 
1 1 1   14   18    0 o  ?   ?  -1275.1880  171.221 -1415.2531  241.341 -1133.2440  242.954  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   14   19    0 o  274.929   2.1948 21839.23  348.455   0.0000   0.0000 21839.23  348.455  274.929   2.1948  274.929   2.1948 -0.000000 0.000000 
1 1 1   14   20    0 o   86.228   3.7248  2194.03  181.541  2562.40  256.066  1821.77  257.413   93.753   4.7571   78.704   5.7329 -0.000000 0.000000 
1 1 1   14   21    0 o   10.039   7.3079 -543.4070  244.154   0.0000   0.0000 -543.4070  244.154   10.039   7.3079   10.039   7.3079 -0.000000 0.000000 
1 1 1   14   22    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   23    0 o   41.101   11.192  588.659  229.659  588.659  229.659   0.0000   0.0000   41.101   11.192   41.101   11.192 -0.000000 0.000000 
1 1 1   14   24    0 o   78.357   4.8599  1797.41  217.992  1797.41  217.992   0.0000   0.0000   78.357   4.8599   78.357   4.8599 -0.000000 0.000000 
1 1 1   14   25    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   26    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   27    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   28    0 o   52.125   8.0911  844.426  226.099  844.426  226.099   0.0000   0.0000   52.125   8.0911   52.125   8.0911 -0.000000 0.000000 
1 1 1   14   29    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   30    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   31    0 o  142.553   4.5854  5906.29  376.638  5906.29  376.638   0.0000   0.0000  142.553   4.5854  142.553   4.5854 -0.000000 0.000000 
1 1 1   14   32    0 o  110.616   3.6590  3572.41  225.549  3580.15  366.503  3567.69  286.155  110.559   5.7758  110.674   4.4937 -0.000000 0.000000 
1 1 1   14   33    0 o   41.066   9.6154  667.311  206.070  544.363  340.116  738.622  259.026   35.438   15.730   46.695   11.063 -0.000000 0.000000 
1 1 1   14   34    0 o   84.252   4.4651  2117.52  205.784  2057.72  338.765  2152.49  259.058   82.959   7.1950   85.545   5.2898 -0.000000 0.000000 
1 1 1   14   35    0 o  124.352   2.9323  4500.19  206.421  4526.26  323.669  4482.31  267.996  124.557   4.5128  124.146   3.7455 -0.000000 0.000000 
1 1 1   14   36    0 o   82.443   5.0862  2004.14  240.064   0.0000   0.0000  2004.14  240.064   82.443   5.0862   82.443   5.0862 -0.000000 0.000000 
1 1 1   14   37    0 o   53.022   4.4434  811.951  102.271  936.388  236.305  783.271  113.447   54.569   8.0017   51.475   3.8661 -0.000000 0.000000 
1 1 1   14   38    0 o  ?   ?  -726.8929  193.639 -726.8929  193.639   0.0000   0.0000  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   14   39    0 o   13.715   8.7142   29.077  150.566   0.0000   0.0000   29.077  150.566   13.715   8.7142   13.715   8.7142 -0.000000 0.000000 
1 1 1   14   40    0 o   16.830   9.8366  114.426  159.382  114.426  159.382   0.0000   0.0000   16.830   9.8366   16.830   9.8366 -0.000000 0.000000 
1 1 1   14   41    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   42    0 o   10.338   7.1221 -89.0700  140.913   0.0000   0.0000 -89.0700  140.913   10.338   7.1221   10.338   7.1221 -0.000000 0.000000 
1 1 1   14   43    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   44    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   45    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    0   -1 o   70.620   6.6371  1560.33  244.432  1273.84  367.830  1786.88  327.101   63.690   10.978   77.551   7.4618 -0.000000 0.000000 
1 1 1   14    1   -1 f   83.290   4.2016  2029.63  192.977  1928.70  321.119  2086.69  241.436   81.626   6.8116   84.953   4.9208 -3.326363 8.403137 
1 1 1   14    2   -1 o   83.238   2.6737  2010.05  126.397  2046.86  165.247  1958.16  196.220   84.166   3.3995   82.310   4.1277 1.855621 5.347367 
1 1 1   14    3   -1 o   31.731   6.9116  259.404  150.167  458.959  222.092   91.335  203.819   39.014   9.8540   24.448   9.6944 14.56525 13.82325 
1 1 1   14    4   -1 o  194.780   1.3117 10984.60  145.579 10790.74  224.034 11126.29  191.526  193.286   2.0069  196.274   1.6896 -2.988556 2.623431 
1 1 1   14    5   -1 o  110.812   2.3409  3561.39  144.561  3496.96  236.927  3599.60  182.460  110.001   3.7293  111.622   2.8303 -1.621346 4.681724 
1 1 1   14    6   -1 o   89.663   2.7577  2321.63  137.972  2331.54  226.745  2315.80  173.863   89.805   4.3717   89.522   3.3627 0.2830429 5.515447 
1 1 1   14    7   -1 o  220.789   1.5066 14107.99  187.969 13948.95  297.601 14213.54  242.453  219.745   2.3449  221.833   1.8924 -2.087433 3.013293 
1 1 1   14    8   -1 o   26.369   9.2435  177.980  173.961  177.980  173.961   0.0000   0.0000   26.369   9.2435  ?   ?       ?      ? 
1 1 1   14    9   -1 o  118.493   1.9124  3999.14  118.516  3923.77  139.813  4191.55  223.398  116.549   2.0771  120.436   3.2117 -3.886581 3.824837 
1 1 1   14   10   -1 o   13.082   4.6063 -502.7155  135.044 -634.1344  186.213 -356.9205  196.134   11.471   5.7983   14.693   7.1589 -3.221773 9.212511 
1 1 1   14   11   -1 o  264.660   1.3926 20190.77  209.423 20467.68  327.986 20000.16  272.116  266.182   2.1335  263.139   1.7905 3.043762 2.785286 
1 1 1   14   12   -1 o  130.645   1.9281  4930.97  145.455  4888.81  203.381  4975.12  208.109  130.074   2.7073  131.216   2.7461 -1.141937 3.856242 
1 1 1   14   13   -1 o  136.434   2.1908  5281.29  152.423  5590.34  300.007  5173.76  176.964  139.048   3.7358  133.820   2.2897 5.227844 4.381646 
1 1 1   14   14   -1 o  186.044   1.7348 10059.45  152.344 10102.83  171.797  9899.78  329.598  187.021   1.5905  185.068   3.0837 1.952805 3.469699 
1 1 1   14   15   -1 o   72.445   3.7364  1500.00  152.527  1433.36  193.480  1609.40  247.913   70.368   4.7608   74.522   5.7601 -4.153999 7.472897 
1 1 1   14   16   -1 o  109.460   2.0344  3460.52  128.486  3251.54  179.184  3681.68  184.338  106.059   2.9253  112.860   2.8280 -6.801025 4.068789 
1 1 1   14   17   -1 o   44.744   6.8828  608.222  173.355  496.122  242.892  724.610  247.493   40.411   10.359   49.078   9.0655 -8.667267 13.76553 
1 1 1   14   18   -1 o   73.180   2.9552  1554.56  124.485  1687.46  175.128  1418.82  176.984   76.359   3.9711   70.001   4.3777 6.357956 5.910483 
1 1 1   14   19   -1 o   42.439   6.2742  541.460  145.015  553.411  179.780  519.203  245.345   43.608   7.1383   41.271   10.320 2.336967 12.54836 
1 1 1   14   20   -1 o  126.213   2.6672  4605.49  194.422  4605.49  194.422   0.0000   0.0000  126.213   2.6672  ?   ?       ?      ? 
1 1 1   14   21   -1 o   33.090   6.5901  352.474  136.092  443.961  164.706  155.613  241.607   38.342   7.7052   27.839   10.693 10.50356 13.18010 
1 1 1   14   22   -1 o  138.533   2.6168  5608.18  207.121  5104.30  307.510  6026.58  280.216  132.753   4.0108  144.313   3.3620 -11.55933 5.233522 
1 1 1   14   23   -1 o   57.262   5.0237  984.529  160.422  1101.39  209.947  820.571  248.682   61.552   5.9058   52.972   8.1285 8.580353 10.04745 
1 1 1   14   24   -1 f  123.213   2.7403  4390.44  195.000   0.0000   0.0000  4390.44  195.000  ?   ?   123.213   2.7403      ?      ? 
1 1 1   14   25   -1 f   65.992   6.0765  1386.55  194.370  2328.34  283.653  552.884  266.874   89.525   5.4860   42.459   10.844 47.06626 12.15306 
1 1 1   14   26   -1 o   76.921   6.4790  1723.49  287.833  1723.49  287.833   0.0000   0.0000   76.921   6.4790  ?   ?       ?      ? 
1 1 1   14   27   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   28   -1 o   80.950   3.8107  1897.07  177.657  1801.28  240.491  2012.15  263.584   78.720   5.2897   83.180   5.4868 -4.459457 7.621368 
1 1 1   14   29   -1 o  136.046   2.7036  5141.96  206.108  6293.66  346.364  4510.57  256.455  147.315   4.0710  124.776   3.5587 22.53965 5.407172 
1 1 1   14   30   -1 o   95.847   4.0113  2665.10  222.048  2665.10  222.048   0.0000   0.0000   95.847   4.0113  ?   ?       ?      ? 
1 1 1   14   31   -1 f  156.354   2.4179  7060.65  217.261  7333.20  326.274  6843.53  291.213  159.031   3.5523  153.676   3.2811 5.355347 4.835771 
1 1 1   14   32   -1 o   50.010   5.8572  778.912  159.222  921.785  213.243  598.897  239.362   56.047   6.5877   43.973   9.6866 12.07400 11.71447 
1 1 1   14   33   -1 o   16.457   8.0502 -578.9968  132.588 -618.8216  155.180 -471.3087  255.178  ?   ?    16.457   8.0502      ?      ? 
1 1 1   14   34   -1 o  117.576   2.4794  4004.83  168.362   0.0000   0.0000  4004.83  168.362  ?   ?   117.576   2.4794      ?      ? 
1 1 1   14   35   -1 o   48.285   6.5332  691.382  182.189   0.0000   0.0000  691.382  182.189  ?   ?    48.285   6.5332      ?      ? 
1 1 1   14   36   -1 o   95.455   2.9904  2643.97  158.001  2586.79  196.190  2749.50  266.529   94.176   3.6070   96.734   4.7707 -2.558289 5.980790 
1 1 1   14   37   -1 o   73.699   3.0014  1490.47  122.880  2239.80  203.262  1058.89  154.260   87.403   4.0267   59.995   4.4519 27.40750 6.002827 
1 1 1   14   38   -1 o   18.598   5.7879   11.653   95.756   24.150  104.908 -50.7403  234.414   16.167   6.7468   21.030   9.4063 -4.862396 11.57576 
1 1 1   14   39   -1 o   20.219   7.4927  107.091  116.246   0.0000   0.0000  107.091  116.246  ?   ?    20.219   7.4927      ?      ? 
1 1 1   14   40   -1 o   32.739   10.675  375.556  231.818  375.556  231.818   0.0000   0.0000   32.739   10.675  ?   ?       ?      ? 
1 1 1   14   41   -1 o   17.862   6.6127   84.335   90.500   84.335   90.500   0.0000   0.0000   17.862   6.6127  ?   ?       ?      ? 
1 1 1   14   42   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   43   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   44   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   45   -1 o   57.819   9.0436  1203.37  301.995   0.0000   0.0000  1203.37  301.995  ?   ?    57.819   9.0436      ?      ? 
1 1 1   14    0   -2 o  218.409   2.3822 13782.08  300.407   0.0000   0.0000 13782.08  300.407  218.409   2.3822  218.409   2.3822 -0.000000 0.000000 
1 1 1   14    1   -2 o  362.299   1.3639 37931.99  282.943 37756.33  428.657 38067.62  376.653  361.550   2.0528  363.047   1.7964 -1.496918 2.727834 
1 1 1   14    2   -2 o   66.987   3.7595  1276.61  139.560  1371.62  236.686  1225.97  172.794   68.854   5.9520   65.120   4.5944 3.733154 7.518937 
1 1 1   14    3   -2 o   85.108   2.4118  2090.32  118.462  2165.94  171.532  2021.36  163.798   86.578   3.4305   83.639   3.3909 2.938965 4.823512 
1 1 1   14    4   -2 o  170.151   2.1479  8487.99  179.014  8132.03  365.165  8600.60  205.387  167.745   3.7693  172.558   2.0609 -4.813126 4.295870 
1 1 1   14    5   -2 o  202.784   1.3768 11879.93  161.160 11789.85  231.182 11965.10  224.783  202.035   1.9813  203.533   1.9122 -1.497620 2.753556 
1 1 1   14    6   -2 o   99.042   2.9544  2782.86  157.646  2693.98  189.749  2980.92  283.255   96.554   3.4027  101.530   4.8306 -4.976112 5.908720 
1 1 1   14    7   -2 o  290.989   1.7922 24555.47  244.085 24301.22  534.956 24622.33  274.302  289.999   3.1940  291.978   1.6266 -1.979004 3.584363 
1 1 1   14    8   -2 o  137.927   1.7632  5520.08  138.404  5646.07  182.059  5347.57  213.036  139.805   2.2548  136.049   2.7113 3.755920 3.526332 
1 1 1   14    9   -2 o   67.987   3.8510  1368.75  129.285  1277.19  258.743  1399.22  149.252   66.399   6.7472   69.575   3.7143 -3.176559 7.701998 
1 1 1   14   10   -2 o  172.568   1.4983  8578.70  144.302  8694.28  237.560  8511.11  181.656  173.480   2.3710  171.657   1.8323 1.822632 2.996542 
1 1 1   14   11   -2 o  192.542   1.4292 10713.34  156.849 10736.03  205.945 10682.00  242.037  192.790   1.8496  192.294   2.1794 0.4959259 2.858445 
1 1 1   14   12   -2 o  123.033   2.4152  4340.43  157.115  4289.36  187.104  4462.56  289.336  121.839   2.6590  124.226   4.0328 -2.386536 4.830467 
1 1 1   14   13   -2 o  157.880   1.2506  7211.87  113.302  7309.01  152.431  7091.94  169.371  159.073   1.6592  156.688   1.8716 2.385406 2.501168 
1 1 1   14   14   -2 o   82.883   3.3617  1940.71  154.760  1825.23  191.476  2158.30  262.822   79.433   4.1738   86.332   5.2711 -6.899178 6.723472 
1 1 1   14   15   -2 o  176.653   2.3469  9017.65  239.335  9172.94  344.666  8873.05  332.600  178.119   3.3504  175.188   3.2873 2.931763 4.693773 
1 1 1   14   16   -2 o   29.531   7.3938  192.966  145.200  316.790  275.632  145.406  170.825   34.177   11.651   24.885   9.1064 9.291643 14.78764 
1 1 1   14   17   -2 o   75.564   3.3997  1581.63  131.122  1505.74  151.427  1809.06  262.133   72.148   3.6341   78.980   5.7467 -6.832291 6.799334 
1 1 1   14   18   -2 o  229.955   2.0965 15305.88  277.903 14990.11  403.388 15591.15  383.401  227.685   3.0676  232.225   2.8586 -4.540131 4.193099 
1 1 1   14   19   -2 o  171.042   2.2984  8525.95  225.322  7662.20  327.630  9301.12  310.376  162.739   3.4858  179.345   2.9965 -16.60579 4.596732 
1 1 1   14   20   -2 o   20.764   6.5054 -212.8944  168.585 -461.9849  227.790   88.772  250.680   15.260   7.4937   26.268   10.636 -11.00795 13.01076 
1 1 1   14   21   -2 o   84.001   3.5014  2043.84  169.398  2012.71  230.343  2080.50  249.989   83.317   4.7869   84.685   5.1113 -1.367508 7.002864 
1 1 1   14   22   -2 o  107.478   3.0636  3341.56  190.169   0.0000   0.0000  3341.56  190.169  ?   ?   107.478   3.0636      ?      ? 
1 1 1   14   23   -2 o   25.124   7.1994   85.090  150.430   83.152  280.654   85.871  178.188   27.307   11.179   22.942   9.0747 4.364885 14.39880 
1 1 1   14   24   -2 o   94.591   3.7137  2590.77  202.881  2590.77  202.881   0.0000   0.0000   94.591   3.7137  ?   ?       ?      ? 
1 1 1   14   25   -2 o   98.041   3.4997  2797.94  197.543  2620.31  284.408  2963.52  274.588   95.002   5.1835  101.080   4.7036 -6.078117 6.999465 
1 1 1   14   26   -2 o   37.150   9.6062  421.306  207.638   0.0000   0.0000  421.306  207.638  ?   ?    37.150   9.6062      ?      ? 
1 1 1   14   27   -2 o  102.703   2.9358  3037.95  163.652  3114.67  286.896  3000.95  199.248  103.593   4.7952  101.813   3.3885 1.780075 5.871624 
1 1 1   14   28   -2 o   74.956   3.6728  1578.53  153.109  1445.74  189.058  1831.60  260.994   70.577   4.6382   79.336   5.6961 -8.759552 7.345609 
1 1 1   14   29   -2 o  133.038   2.6188  5133.21  196.382  5110.67  313.619  5147.75  251.875  132.745   4.0907  133.330   3.2709 -0.5849457 5.237643 
1 1 1   14   30   -2 o   39.494   7.2260  440.906  169.364  713.195  272.299  269.110  216.292   48.141   10.115   30.847   10.322 17.29435 14.45197 
1 1 1   14   31   -2 o  120.660   3.0598  4217.07  213.224  4217.07  213.224   0.0000   0.0000  120.660   3.0598  ?   ?       ?      ? 
1 1 1   14   32   -2 o   21.436   9.9752 -250.7746  299.743 -250.7746  299.743   0.0000   0.0000   21.436   9.9752  ?   ?       ?      ? 
1 1 1   14   33   -2 o   73.808   3.7631  1587.27  160.112  1469.55  219.521  1721.08  234.041   70.888   5.3619   76.729   5.2814 -5.841690 7.526152 
1 1 1   14   34   -2 o   30.237   7.0238  270.316  141.836  266.503  200.962  274.100  200.212   30.090   9.9452   30.385   9.9210 -0.2950878 14.04755 
1 1 1   14   35   -2 o   46.190   7.2649  636.937  193.805   0.0000   0.0000  636.937  193.805  ?   ?    46.190   7.2649      ?      ? 
1 1 1   14   36   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   37   -2 o   53.416   4.7585  841.820  146.801   0.0000   0.0000  841.820  146.801  ?   ?    53.416   4.7585      ?      ? 
1 1 1   14   38   -2 o   15.951   7.4099 -121.5396  164.250   0.0000   0.0000 -121.5396  164.250  ?   ?    15.951   7.4099      ?      ? 
1 1 1   14   39   -2 o   27.091   7.0989  165.523  166.220  383.955  233.433 -59.1479  236.743   33.482   10.693   20.700   9.3397 12.78149 14.19784 
1 1 1   14   40   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   41   -2 o   12.247   4.2973 -222.1944   90.935 -195.9819  103.419 -311.5285  190.921   10.272   5.0453   14.221   6.9579 -3.948903 8.594617 
1 1 1   14   42   -2 o   14.537   4.8977 -118.8047   87.338 -135.5722   98.314 -56.0386  190.214   10.903   5.2536   18.172   8.2674 -7.268276 9.795404 
1 1 1   14   43   -2 o   19.293   9.2403 -246.1028  293.860   0.0000   0.0000 -246.1028  293.860  ?   ?    19.293   9.2403      ?      ? 
1 1 1   14   44   -2 o   32.907   7.0058  135.240   95.822   64.285   99.737  986.231  345.405   17.007   6.7696   48.806   12.268 -31.79889 14.01151 
1 1 1   14   45   -2 o   74.349   8.2317  1925.19  353.467   0.0000   0.0000  1925.19  353.467  ?   ?    74.349   8.2317      ?      ? 
1 1 1   14    0   -3 o   51.857   6.7375  815.890  192.379   0.0000   0.0000  815.890  192.379   51.857   6.7375   51.857   6.7375 -0.000000 0.000000 
1 1 1   14    1   -3 o  232.687   1.9951 15667.44  255.855 15728.06  317.806 15555.78  431.326  233.342   2.3582  232.031   3.2187 1.311920 3.990104 
1 1 1   14    2   -3 o  333.850   1.7655 32192.71  340.377 31951.36  477.309 32442.45  485.527  332.578   2.4850  335.122   2.5086 -2.544983 3.530999 
1 1 1   14    3   -3 o  264.576   1.8799 20228.42  249.483 20209.83  496.685 20234.70  288.521  264.469   3.2518  264.684   1.8874 -0.2148743 3.759837 
1 1 1   14    4   -3 o   87.227   3.5976  2147.47  166.490  2071.00  197.717  2333.86  308.671   84.646   4.0444   89.808   5.9511 -5.162086 7.195285 
1 1 1   14    5   -3 o  120.185   2.8492  4282.45  176.355  3935.98  329.647  4421.37  208.738  116.665   4.8924  123.706   2.9216 -7.041115 5.698395 
1 1 1   14    6   -3 o  137.818   1.7478  5408.44  126.316  5673.72  237.084  5303.28  149.266  140.133   2.9294  135.502   1.9073 4.631149 3.495600 
1 1 1   14    7   -3 o  193.686   1.8540 10789.14  183.806 10733.11  214.628 10943.28  355.994  192.767   1.9278  194.606   3.1674 -1.838501 3.707950 
1 1 1   14    8   -3 o  141.083   2.4769  5817.88  186.293  5926.34  224.993  5581.38  332.232  143.221   2.7201  138.944   4.1401 4.276825 4.953736 
1 1 1   14    9   -3 o  215.966   1.5980 13468.63  198.794 13542.43  292.319 13405.13  271.147  216.514   2.3377  215.419   2.1794 1.094849 3.196019 
1 1 1   14   10   -3 o   59.727   3.5790  1069.21  118.229  879.764  186.454  1196.60  152.897   55.123   5.8567   64.330   4.1153 -9.206776 7.157943 
1 1 1   14   11   -3 o  112.181   2.5738  3631.49  160.766  3613.52  201.861  3662.65  265.839  111.819   3.1257  112.544   4.0899 -0.7255020 5.147562 
1 1 1   14   12   -3 o  216.100   1.7923 13484.82  211.535 13467.67  259.796 13518.56  364.381  215.916   2.0833  216.284   2.9171 -0.3679352 3.584630 
1 1 1   14   13   -3 o  106.672   2.2182  3324.71  124.492  3201.77  227.450  3377.28  148.752  105.227   3.7426  108.116   2.3823 -2.888367 4.436451 
1 1 1   14   14   -3 o   14.240   6.9818 -389.6692  195.333 -389.6692  195.333   0.0000   0.0000   14.240   6.9818  ?   ?       ?      ? 
1 1 1   14   15   -3 f   48.999   5.5848  728.597  149.861  877.718  205.407  558.886  219.130   55.003   6.4661   42.996   9.1078 12.00698 11.16969 
1 1 1   14   16   -3 f  142.702   2.0802  5916.94  160.667  5974.36  196.125  5799.77  280.149  143.787   2.3617  141.618   3.4252 2.169586 4.160497 
1 1 1   14   17   -3 o   99.546   2.9285  2836.79  167.428  2555.09  223.214  3199.15  253.164   93.959   4.1134  105.133   4.1694 -11.17413 5.856957 
1 1 1   14   18   -3 o   72.409   3.8034  1535.12  145.271  1557.28  173.876  1483.90  264.365   73.346   4.1047   71.473   6.4044 1.873634 7.606882 
1 1 1   14   19   -3 o   84.260   3.2663  2135.02  143.372  2250.83  172.041  1871.79  259.385   88.207   3.3771   80.313   5.5921 7.894203 6.532695 
1 1 1   14   20   -3 o  113.179   2.5475  3668.18  157.701  3588.75  193.062  3827.44  273.378  111.395   3.0009  114.963   4.1174 -3.568016 5.094901 
1 1 1   14   21   -3 o   23.127   6.7146   21.166  137.956 -42.1433  168.146  151.550  241.303   18.556   8.1492   27.698   10.674 -9.141533 13.42926 
1 1 1   14   22   -3 o  122.377   2.7291  4330.70  192.884   0.0000   0.0000  4330.70  192.884  ?   ?   122.377   2.7291      ?      ? 
1 1 1   14   23   -3 o   67.445   5.2045  1320.43  202.728   0.0000   0.0000  1320.43  202.728  ?   ?    67.445   5.2045      ?      ? 
1 1 1   14   24   -3 f   29.876   7.9251  123.293  211.877  389.928  283.829 -212.3016  318.424   36.648   11.800   23.104   10.582 13.54487 15.85013 
1 1 1   14   25   -3 o  111.422   2.8207  3652.92  164.625  3734.22  196.468  3461.32  301.629  113.614   2.9942  109.231   4.7813 4.382797 5.641409 
1 1 1   14   26   -3 o  185.258   2.2781  9921.61  243.747   0.0000   0.0000  9921.61  243.747  ?   ?   185.258   2.2781      ?      ? 
1 1 1   14   27   -3 o   62.027   4.8516  1176.99  150.757  1010.70  287.982  1239.77  176.939   58.691   8.4960   65.363   4.6871 -6.672523 9.703113 
1 1 1   14   28   -3 o   92.138   2.7065  2466.08  142.810  2508.68  190.939  2412.00  215.150   93.065   3.5524   91.210   4.0843 1.855148 5.413018 
1 1 1   14   29   -3 o   77.263   3.3476  1725.65  148.953  1561.27  203.374  1915.85  218.770   73.307   4.8036   81.220   4.6638 -7.913033 6.695216 
1 1 1   14   30   -3 f  102.347   4.0337  3132.99  228.190  3369.65  290.637  2752.62  368.454  107.677   4.6735   97.018   6.5758 10.65967 8.067364 
1 1 1   14   31   -3 o  108.196   4.0722  3583.06  241.973  4444.52  325.735  2522.36  361.447  123.633   4.5619   92.759   6.7469 30.87389 8.144426 
1 1 1   14   32   -3 o  159.758   2.8474  7403.25  260.269  7322.96  344.459  7510.09  397.327  158.815   3.7554  160.701   4.2810 -1.886597 5.694747 
1 1 1   14   33   -3 o   73.734   4.6138  1585.08  196.477  1585.08  196.477   0.0000   0.0000   73.734   4.6138  ?   ?       ?      ? 
1 1 1   14   34   -3 o   89.556   3.2603  2329.36  168.630  2329.36  168.630   0.0000   0.0000   89.556   3.2603  ?   ?       ?      ? 
1 1 1   14   35   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   36   -3 o   30.369   7.3019  237.716  170.130   24.064  239.749  454.429  241.460   23.313   9.9840   37.424   10.658 -14.11061 14.60371 
1 1 1   14   37   -3 o   16.086   7.4892 -134.9874  169.275 -134.9874  169.275   0.0000   0.0000   16.086   7.4892  ?   ?       ?      ? 
1 1 1   14   38   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   39   -3 o   28.365   10.660  240.519  236.920   0.0000   0.0000  240.519  236.920  ?   ?    28.365   10.660      ?      ? 
1 1 1   14   40   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   41   -3 o   49.818   10.679  893.680  298.015   0.0000   0.0000  893.680  298.015  ?   ?    49.818   10.679      ?      ? 
1 1 1   14   42   -3 o   37.914   13.031  594.285  344.933   0.0000   0.0000  594.285  344.933  ?   ?    37.914   13.031      ?      ? 
1 1 1   14   43   -3 o   19.324   8.3896   30.836  173.838   0.0000   0.0000   30.836  173.838  ?   ?    19.324   8.3896      ?      ? 
1 1 1   14   44   -3 o   24.014   10.703   82.855  300.657   0.0000   0.0000   82.855  300.657  ?   ?    24.014   10.703      ?      ? 
1 1 1   14   45   -3 o   23.986   6.8900   63.538  100.821   10.660  106.913  488.262  303.002   15.119   6.5715   32.854   12.112 -17.73573 13.77997 
1 1 1   14    0   -4 o   17.148   8.1916 -210.5933  215.880   54.514  371.952 -345.2618  265.100   21.827   13.796   12.470   8.8368 -0.000000 0.000000 
1 1 1   14    1   -4 o  205.735   2.2591 12337.35  239.891 12472.31  282.663 11989.87  453.558  207.791   2.3554  203.679   3.8557 4.112488 4.518193 
1 1 1   14    2   -4 o  373.374   2.0539 40266.89  442.910   0.0000   0.0000 40266.89  442.910  ?   ?   373.374   2.0539      ?      ? 
1 1 1   14    3   -4 o  115.346   2.7042  3863.62  175.657  3761.25  279.639  3930.34  225.756  114.067   4.2448  116.626   3.3517 -2.558975 5.408473 
1 1 1   14    4   -4 o  143.144   2.4892  5922.13  182.668  5919.72  351.631  5923.02  213.777  143.099   4.2547  143.188   2.5850 -0.8895874E-01 4.978415 
1 1 1   14    5   -4 o  282.252   1.9664 23003.17  304.477 23058.85  519.653 22974.05  375.727  282.491   3.1851  282.013   2.3068 0.4777222 3.932734 
1 1 1   14    6   -4 o  113.400   2.8833  3715.46  188.835   0.0000   0.0000  3715.46  188.835  ?   ?   113.400   2.8833      ?      ? 
1 1 1   14    7   -4 o  190.492   1.9310 10458.22  206.213 10377.93  261.362 10590.62  335.630  189.537   2.3876  191.447   3.0355 -1.909698 3.861970 
1 1 1   14    8   -4 o   13.235   4.6345 -438.8005  131.567 -499.7761  182.689 -373.1017  189.633   12.365   6.1799   14.105   6.9082 -1.739985 9.268989 
1 1 1   14    9   -4 o   18.796   6.0888 -214.2654  146.313 -330.6958  184.173 -15.0585  240.904   14.296   6.9592   23.296   9.9932 -9.000634 12.17762 
1 1 1   14   10   -4 o   39.577   5.9557  468.832  131.666  519.485  195.334  426.654  178.244   41.556   8.4271   37.598   8.4182 3.958504 11.91141 
1 1 1   14   11   -4 f  179.323   1.5021  9313.84  149.557  9200.61  247.671  9378.82  187.628  178.453   2.4031  180.192   1.8029 -1.739273 3.004201 
1 1 1   14   12   -4 o  229.317   1.8917 15154.21  230.245 15299.93  419.324 15091.31  275.490  230.075   3.1557  228.560   2.0870 1.515518 3.783377 
1 1 1   14   13   -4 o   33.344   6.0309  335.688  116.475  337.443  159.995  333.709  169.891   33.418   8.3214   33.269   8.7317 0.1494789 12.06186 
1 1 1   14   14   -4 o  101.813   2.8978  2996.05  170.396  2996.05  170.396   0.0000   0.0000  101.813   2.8978  ?   ?       ?      ? 
1 1 1   14   15   -4 o  110.802   2.8816  3548.67  184.404   0.0000   0.0000  3548.67  184.404  ?   ?   110.802   2.8816      ?      ? 
1 1 1   14   16   -4 o   46.253   4.6156  636.385  116.671  827.044  168.037  458.924  162.117   53.417   5.4468   39.090   7.4529 14.32700 9.231117 
1 1 1   14   17   -4 o   23.824   8.9436  123.006  166.677  123.006  166.677   0.0000   0.0000   23.824   8.9436  ?   ?       ?      ? 
1 1 1   14   18   -4 o   28.354   6.9368  110.143  160.259 -123.1819  212.205  419.861  244.488   19.329   8.7701   37.380   10.750 -18.05059 13.87355 
1 1 1   14   19   -4 o   46.731   5.8524  788.118  162.342  1364.00  216.285   45.003  245.690   68.563   5.4620   24.900   10.352 43.66344 11.70483 
1 1 1   14   20   -4 o   75.490   4.2960  1622.78  185.189  2002.66  284.163  1342.32  244.160   83.027   5.9260   67.953   6.2213 15.07372 8.591963 
1 1 1   14   21   -4 o  142.827   2.4332  5900.99  200.308  5865.06  274.287  5942.05  293.217  142.371   3.3358  143.283   3.5433 -0.9128723 4.866465 
1 1 1   14   22   -4 o  116.173   2.6708  3887.81  164.058  3858.38  195.594  3957.67  301.310  115.497   2.9322  116.849   4.4648 -1.351624 5.341584 
1 1 1   14   23   -4 o   51.664   7.6538  847.480  225.701  1153.54  306.894  486.938  333.091   62.768   8.4658   40.561   12.754 22.20724 15.30757 
1 1 1   14   24   -4 o  223.692   2.1928 14463.33  283.288   0.0000   0.0000 14463.33  283.288  ?   ?   223.692   2.1928      ?      ? 
1 1 1   14   25   -4 o  100.045   3.5067  2857.37  171.484  2816.73  195.274  2994.35  358.499   98.645   3.4275  101.444   6.1189 -2.798996 7.013487 
1 1 1   14   26   -4 o   65.202   4.0263  1231.91  151.618   0.0000   0.0000  1231.91  151.618  ?   ?    65.202   4.0263      ?      ? 
1 1 1   14   27   -4 o  163.574   1.6987  7726.06  160.154  7894.30  235.164  7580.54  218.714  165.227   2.4644  161.921   2.3388 3.305786 3.397494 
1 1 1   14   28   -4 o   73.702   4.7218  1585.71  198.808  1585.74  304.255  1585.68  262.629   73.643   7.1535   73.760   6.1651 -0.1162109 9.443568 
1 1 1   14   29   -4 o   69.064   5.1930  1387.42  207.137   0.0000   0.0000  1387.42  207.137  ?   ?    69.064   5.1930      ?      ? 
1 1 1   14   30   -4 o  111.078   3.7829  3641.26  235.412  3809.22  302.636  3383.90  374.608  114.492   4.5768  107.664   6.0245 6.827904 7.565821 
1 1 1   14   31   -4 o   71.766   4.9618  1499.82  205.659  1499.82  205.659   0.0000   0.0000   71.766   4.9618  ?   ?       ?      ? 
1 1 1   14   32   -4 o   70.354   5.5395  1466.88  219.966  1891.86  320.642  1089.06  302.325   80.184   6.9238   60.523   8.6491 19.66142 11.07906 
1 1 1   14   33   -4 f   71.180   5.3207  1482.40  218.731  1482.40  218.731   0.0000   0.0000   71.180   5.3207  ?   ?       ?      ? 
1 1 1   14   34   -4 o   48.008   6.7160  762.203  211.521   28.617  304.926  1442.61  293.665   26.367   11.275   69.649   7.3005 -43.28186 13.43199 
1 1 1   14   35   -4 o   81.927   3.2999  1952.54  156.140  1952.54  156.140   0.0000   0.0000   81.927   3.2999  ?   ?       ?      ? 
1 1 1   14   36   -4 o   49.713   6.7591  740.585  194.064  740.585  194.064   0.0000   0.0000   49.713   6.7591  ?   ?       ?      ? 
1 1 1   14   37   -4 o   30.800   8.0966  272.476  190.921  261.966  294.991  280.051  250.450   30.939   11.832   30.661   11.056 0.2780266 16.19329 
1 1 1   14   38   -4 f   37.846   5.1043  494.000  101.670  598.706  127.437  310.660  168.631   44.858   4.9189   30.834   8.9453 14.02413 10.20857 
1 1 1   14   39   -4 o   31.012   6.0376  372.262  124.901  464.340  137.630 -57.6025  297.372   39.015   6.1080   23.009   10.416 16.00599 12.07514 
1 1 1   14   40   -4 o   61.258   4.7421  844.478  129.739  688.789  139.954  1795.67  345.932   47.769   5.0729   74.746   8.0134 -26.97683 9.484112 
1 1 1   14   41   -4 o   35.356   7.0910  201.936  112.502  110.506  119.007  970.329  344.999   20.172   7.5602   50.539   11.999 -30.36679 14.18200 
1 1 1   14   42   -4 f   21.038   9.8444 -137.8642  298.534   0.0000   0.0000 -137.8642  298.534  ?   ?    21.038   9.8444      ?      ? 
1 1 1   14   43   -4 o   46.560   11.415  842.757  304.599   0.0000   0.0000  842.757  304.599  ?   ?    46.560   11.415      ?      ? 
1 1 1   14   44   -4 o   23.714   9.6899  158.932  210.353   0.0000   0.0000  158.932  210.353  ?   ?    23.714   9.6899      ?      ? 
1 1 1   14   45   -4 o  ?   ?  -900.2923  242.650   0.0000   0.0000 -900.2923  242.650  ?   ?   ?   ?       ?      ? 
1 1 1   14    0   -5 o  315.239   2.2947 28712.55  417.356 28653.71  578.599 28776.38  602.594  314.906   3.1821  315.572   3.3071 -0.000000 0.000000 
1 1 1   14    1   -5 o  240.820   1.5361 16752.38  213.644 16895.54  301.964 16608.88  302.314  241.851   2.1618  239.790   2.1829 2.061081 3.072255 
1 1 1   14    2   -5 o   15.535   5.3544 -308.8304  137.786 -232.8383  159.936 -527.6132  271.374   14.141   6.7843   16.930   8.2858 -2.789331 10.70889 
1 1 1   14    3   -5 o  101.892   2.8898  2999.60  170.055   0.0000   0.0000  2999.60  170.055  ?   ?   101.892   2.8898      ?      ? 
1 1 1   14    4   -5 o  307.844   1.9406 27471.29  327.684 27084.58  557.104 27675.87  405.188  306.159   3.1507  309.530   2.2666 -3.370819 3.881256 
1 1 1   14    5   -5 o  330.708   2.1557 31725.55  385.235 31249.26  674.676 31955.95  469.252  328.824   3.5526  332.593   2.4429 -3.769623 4.311472 
1 1 1   14    6   -5 f  192.928   2.1939 10833.85  207.733 10606.66  424.877 10905.22  238.137  191.555   3.8405  194.300   2.1221 -2.744736 4.387764 
1 1 1   14    7   -5 o  127.726   1.8408  4719.58  129.816  4691.78  218.066  4734.85  161.563  127.425   2.9631  128.027   2.1850 -0.6017532 3.681613 
1 1 1   14    8   -5 o  125.849   2.2221  4642.98  153.912  4352.63  256.258  4806.81  192.500  122.712   3.6158  128.986   2.5841 -6.274109 4.444253 
1 1 1   14    9   -5 o   73.428   2.8219  1535.50  117.897  1432.23  152.095  1690.97  186.614   70.387   3.7414   76.469   4.2255 -6.082397 5.643832 
1 1 1   14   10   -5 o  192.727   1.5061 10725.54  167.461 10634.33  231.084 10826.42  243.018  191.866   2.0854  193.588   2.1736 -1.722031 3.012185 
1 1 1   14   11   -5 o   27.428   6.4302  197.821  125.104  297.477  172.552   87.384  181.645   31.602   9.0130   23.254   9.1737 8.347588 12.86047 
1 1 1   14   12   -5 o   85.137   3.1131  2171.34  125.133  2229.78  141.989  1968.12  264.784   87.840   2.7988   82.434   5.5616 5.405701 6.226150 
1 1 1   14   13   -5 o  156.455   2.0113  7089.08  173.539  7123.99  215.770  7025.15  292.028  157.021   2.3793  155.889   3.2436 1.132065 4.022665 
1 1 1   14   14   -5 o   70.359   3.7261  1418.00  142.255  1388.36  172.794  1480.34  250.601   69.266   4.3194   71.452   6.0727 -2.185616 7.452164 
1 1 1   14   15   -5 o   52.415   3.8065  805.546  112.182  841.271  144.944  752.175  177.161   53.904   4.6558   50.925   6.0235 2.978962 7.613072 
1 1 1   14   16   -5 o  181.619   2.4740  9520.14  256.495  9672.69  395.359  9409.26  337.055  182.851   3.7438  180.386   3.2353 2.465332 4.948012 
1 1 1   14   17   -5 o   34.342   7.9455  335.120  184.129  243.641  280.317  404.543  244.199   31.888   11.666   36.795   10.791 -4.907364 15.89110 
1 1 1   14   18   -5 o  165.982   2.3247  7964.45  221.929  8017.39  329.716  7920.60  300.083  166.474   3.4293  165.490   3.1397 0.9837952 4.649497 
1 1 1   14   19   -5 o  136.799   2.1006  5467.17  147.992  5289.47  280.430  5535.76  174.228  135.197   3.5915  138.401   2.1797 -3.204788 4.201157 
1 1 1   14   20   -5 o   85.625   3.4769  2121.68  171.939  2121.68  171.939   0.0000   0.0000   85.625   3.4769  ?   ?       ?      ? 
1 1 1   14   21   -5 o   65.042   4.8717  1227.00  183.003  1227.00  183.003   0.0000   0.0000   65.042   4.8717  ?   ?       ?      ? 
1 1 1   14   22   -5 o   37.127   8.2195  392.632  217.722  619.599  285.548   77.442  336.499   44.926   11.076   29.329   12.148 15.59727 16.43900 
1 1 1   14   23   -5 o   73.165   5.4822  1575.52  227.618  1632.20  298.741  1497.08  351.444   74.832   6.9123   71.497   8.5110 3.335045 10.96437 
1 1 1   14   24   -5 o   83.856   3.1152  2003.99  149.340  1806.50  194.954  2284.46  232.324   78.950   4.2756   88.762   4.5319 -9.812225 6.230461 
1 1 1   14   25   -5 o   19.631   6.5873 -226.7956  165.025 -326.6830  349.352 -198.1049  187.231   22.846   10.677   16.415   7.7177 6.431541 13.17469 
1 1 1   14   26   -5 o  240.347   2.3404 16701.08  324.871   0.0000   0.0000 16701.08  324.871  ?   ?   240.347   2.3404      ?      ? 
1 1 1   14   27   -5 o   66.753   7.5100  1463.94  259.422  2007.39  349.623  798.183  386.969   82.866   7.3053   50.640   13.124 32.22638 15.01993 
1 1 1   14   28   -5 f  114.469   3.1225  3711.51  184.163  3606.14  214.771  4004.19  357.944  111.594   3.3324  117.345   5.2816 -5.751656 6.244969 
1 1 1   14   29   -5 o  166.739   2.1107  8031.04  201.926  7902.94  269.549  8194.88  304.826  165.248   2.8243  168.230   3.1374 -2.981110 4.221360 
1 1 1   14   30   -5 o   68.570   3.1225  1315.05  118.918  1549.95  203.846  1193.86  146.414   72.998   4.8351   64.143   3.9523 8.855042 6.244905 
1 1 1   14   31   -5 o   72.423   4.8044  1527.01  200.956  1527.01  200.956   0.0000   0.0000   72.423   4.8044  ?   ?       ?      ? 
1 1 1   14   32   -5 o   38.269   6.9111  310.301  127.490  773.624  310.291  216.200  139.838   49.623   11.104   26.916   8.2310 22.70629 13.82224 
1 1 1   14   33   -5 o   18.496   6.1955 -197.2370  134.216 -115.4308  298.224 -218.0151  150.297   23.406   10.529   13.586   6.5335 9.819686 12.39108 
1 1 1   14   34   -5 f   33.360   6.9453  270.983  114.605  501.203  281.700  225.321  125.457   39.623   11.581   27.096   7.6704 12.52728 13.89068 
1 1 1   14   35   -5 o   26.406   7.6605   86.083  189.510  198.199  278.811 -10.1956  258.369   29.376   11.431   23.436   10.201 5.939629 15.32100 
1 1 1   14   36   -5 o   13.857   4.9475 -793.4614  181.841 -687.8679  270.754 -880.2264  245.430   15.062   7.5269   12.651   6.4231 2.410665 9.894994 
1 1 1   14   37   -5 o   34.025   8.0284  366.921  190.141  245.223  264.951  496.156  273.031   29.745   11.252   38.305   11.455 -8.559166 16.05677 
1 1 1   14   38   -5 o   71.380   4.2958  1603.49  131.526  1638.47  145.202  1443.64  310.436   74.775   3.3622   67.985   7.9063 6.790520 8.591547 
1 1 1   14   39   -5 o   32.087   6.4585  346.019  114.553  353.341  130.503  321.438  239.126   33.193   7.0264   30.980   10.839 2.212852 12.91693 
1 1 1   14   40   -5 o   24.948   6.5250  143.265  106.970   97.093  120.770  311.383  230.447   19.726   7.5642   30.170   10.634 -10.44409 13.04992 
1 1 1   14   41   -5 o   16.656   7.6390 -74.7978  166.702   0.0000   0.0000 -74.7978  166.702  ?   ?    16.656   7.6390      ?      ? 
1 1 1   14   42   -5 o   56.736   5.1400  983.265  168.428   0.0000   0.0000  983.265  168.428  ?   ?    56.736   5.1400      ?      ? 
1 1 1   14   43   -5 o   30.721   5.7223  317.595  102.803  253.746  134.587  407.028  159.286   27.140   8.0255   34.302   8.1591 -7.162153 11.44466 
1 1 1   14   44   -5 o   19.971   8.6614   51.243  184.905   0.0000   0.0000   51.243  184.905  ?   ?    19.971   8.6614      ?      ? 
1 1 1   14    0   -6 o  ?   ?  -1012.9370  173.657 -1080.6930  250.419 -950.1696  241.025  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   14    1   -6 o  334.863   2.3620 32392.62  456.801 32392.62  456.801   0.0000   0.0000  334.863   2.3620  ?   ?       ?      ? 
1 1 1   14    2   -6 o  224.637   1.2175 14578.66  157.852 14454.15  226.747 14695.75  219.883  223.705   1.7550  225.568   1.6878 -1.863541 2.434921 
1 1 1   14    3   -6 o  223.783   2.0747 14466.92  267.681 14424.84  367.721 14514.36  390.413  223.440   2.8495  224.125   3.0161 -0.6850891 4.149302 
1 1 1   14    4   -6 o  272.064   2.1084 21395.86  330.615 21251.66  482.398 21523.59  454.012  271.194   3.0799  272.934   2.8802 -1.740448 4.216820 
1 1 1   14    5   -6 o  ?   ?  -905.7841  117.927 -968.2334  143.670 -776.8224  206.458  ?   ?   ?   ?       ?      ? 
1 1 1   14    6   -6 o   95.255   2.3991  2625.37  131.492  2659.35  179.038  2585.57  193.748   95.928   3.2316   94.581   3.5469 1.347420 4.798281 
1 1 1   14    7   -6 o   74.323   3.8353  1629.56  148.580  1672.80  176.930  1526.14  273.655   76.064   4.0275   72.581   6.5282 3.482872 7.670619 
1 1 1   14    8   -6 o   98.001   2.4305  2773.26  136.997  2805.77  203.760  2746.45  185.071   98.521   3.5810   97.482   3.2872 1.039360 4.861006 
1 1 1   14    9   -6 o  122.982   2.2423  4390.96  156.057  4269.83  244.885  4473.80  202.501  121.537   3.4888  124.428   2.8179 -2.890984 4.484635 
1 1 1   14   10   -6 o   84.116   3.1568  2080.54  140.182  2132.67  168.340  1962.63  253.183   85.894   3.3934   82.337   5.3242 3.556465 6.313656 
1 1 1   14   11   -6 o   54.824   4.5894  928.196  118.718  975.674  135.647  772.798  245.406   58.082   4.0438   51.567   8.2401 6.515209 9.178848 
1 1 1   14   12   -6 o   29.651   5.4060  282.781   95.725  345.871  114.833  139.091  173.299   34.550   5.7547   24.752   9.1532 9.798492 10.81197 
1 1 1   14   13   -6 o   90.763   2.8504  2368.21  147.865  2482.65  228.303  2285.53  194.068   92.630   4.2675   88.895   3.7800 3.734467 5.700872 
1 1 1   14   14   -6 o  107.630   2.3071  3369.38  138.431  3428.15  175.122  3271.49  226.014  108.907   2.7842  106.353   3.6796 2.553543 4.614229 
1 1 1   14   15   -6 o  105.072   2.6683  3119.12  152.927  3418.43  269.474  2976.94  185.733  108.675   4.2934  101.468   3.1694 7.206490 5.336503 
1 1 1   14   16   -6 o  110.331   3.1656  3525.77  201.662  3446.90  286.073  3603.68  284.321  109.100   4.5401  111.562   4.4127 -2.462341 6.331258 
1 1 1   14   17   -6 o  167.338   2.2522  8092.25  217.665  8092.25  217.665   0.0000   0.0000  167.338   2.2522  ?   ?       ?      ? 
1 1 1   14   18   -6 o  154.281   2.3802  6908.63  210.444  7083.33  282.681  6691.43  315.193  156.496   3.1276  152.067   3.5889 4.428482 4.760428 
1 1 1   14   19   -6 o   86.343   3.7853  2169.09  186.621  2123.68  284.608  2203.34  247.178   85.515   5.7626   87.171   4.9097 -1.656258 7.570514 
1 1 1   14   20   -6 f   43.047   6.8793  604.342  183.983  179.771  282.027  918.892  242.751   29.966   11.542   56.127   7.4886 -26.16134 13.75861 
1 1 1   14   21   -6 o  172.271   2.5735  8580.60  256.047  8580.60  256.047   0.0000   0.0000  172.271   2.5735  ?   ?       ?      ? 
1 1 1   14   22   -6 o   21.293   9.3382 -50.0601  220.107 -50.0601  220.107   0.0000   0.0000   21.293   9.3382  ?   ?       ?      ? 
1 1 1   14   23   -6 o  118.716   3.0092  4110.79  203.201  3920.74  311.844  4251.02  267.879  116.275   4.6437  121.156   3.8283 -4.880424 6.018309 
1 1 1   14   24   -6 o   65.185   4.6500  1238.04  174.994  1252.89  245.092  1222.60  249.936   65.593   6.4697   64.777   6.6807 0.8155365 9.299947 
1 1 1   14   25   -6 o  200.665   2.2293 11647.62  256.407 11687.30  387.448 11616.71  342.017  200.943   3.3385  200.386   2.9553 0.5573730 4.458611 
1 1 1   14   26   -6 o   39.851   7.4440  492.188  163.847  439.023  307.406  513.285  193.646   38.590   12.266   41.112   8.4383 -2.521954 14.88793 
1 1 1   14   27   -6 o   75.026   4.3951  1614.08  184.949  1748.64  304.916  1535.76  232.629   77.391   6.8219   72.662   5.5433 4.728683 8.790171 
1 1 1   14   28   -6 o  131.220   3.6490  4978.14  274.990  4755.08  366.736  5264.64  415.626  127.915   4.9642  134.525   5.3495 -6.610588 7.297963 
1 1 1   14   29   -6 o  238.287   2.2752 16420.99  313.110 16420.99  313.110   0.0000   0.0000  238.287   2.2752  ?   ?       ?      ? 
1 1 1   14   30   -6 f  171.241   2.5383  8485.45  251.037  8485.45  251.037   0.0000   0.0000  171.241   2.5383  ?   ?       ?      ? 
1 1 1   14   31   -6 o   41.218   7.2150  514.923  149.412  500.714  328.883  518.619  167.719   40.426   12.666   42.009   6.9128 -1.583199 14.43002 
1 1 1   14   32   -6 o   82.111   4.5959  1964.68  217.951  1964.68  217.951   0.0000   0.0000   82.111   4.5959  ?   ?       ?      ? 
1 1 1   14   33   -6 o   68.208   6.4932  1555.51  209.827  2804.96  307.516  467.023  287.024   97.818   5.4433   38.599   11.790 59.21932 12.98631 
1 1 1   14   34   -6 o   76.616   4.3998  1696.62  178.144  1833.08  331.277  1641.11  211.295   78.394   7.3168   74.839   4.8885 3.555351 8.799651 
1 1 1   14   35   -6 o   68.450   4.8147  1376.40  190.339   0.0000   0.0000  1376.40  190.339  ?   ?    68.450   4.8147      ?      ? 
1 1 1   14   36   -6 o   51.723   5.6000  879.024  124.872  741.068  275.840  914.583  140.043   47.646   10.323   55.800   4.3455 -8.153969 11.19992 
1 1 1   14   37   -6 o   43.716   8.0045  606.016  194.650   0.0000   0.0000  606.016  194.650  ?   ?    43.716   8.0045      ?      ? 
1 1 1   14   38   -6 o   55.918   6.3751  953.150  205.886   0.0000   0.0000  953.150  205.886  ?   ?    55.918   6.3751      ?      ? 
1 1 1   14   39   -6 o   85.953   3.4217  2281.48  159.275  1998.06  267.022  2438.01  198.443   81.070   5.7030   90.836   3.7826 -9.765709 6.843393 
1 1 1   14   40   -6 o   37.549   8.8169  480.340  187.941   0.0000   0.0000  480.340  187.941  ?   ?    37.549   8.8169      ?      ? 
1 1 1   14   41   -6 o   43.569   4.8868  576.180  107.433  537.133  125.405  683.876  208.267   41.996   5.1703   45.141   8.2941 -3.144482 9.773685 
1 1 1   14   42   -6 o   17.077   5.4634 -41.2887  110.590 -59.1064  138.145  -9.4958  184.534   15.302   6.9941   18.852   8.3952 -3.549878 10.92688 
1 1 1   14   43   -6 o   35.099   9.0639  443.293  185.016   0.0000   0.0000  443.293  185.016  ?   ?    35.099   9.0639      ?      ? 
1 1 1   14   44   -6 o   26.960   5.7431  236.905  103.659  115.600  136.844  400.221  158.782   20.387   7.9875   33.532   8.2544 -13.14455 11.48629 
1 1 1   14    0   -7 o  188.833   2.1602 10277.94  235.045 10828.86  345.003  9800.73  321.092  193.543   3.0882  184.123   3.0213 -0.000000 0.000000 
1 1 1   14    1   -7 o  111.578   2.0828  3609.80  131.542  3533.06  206.643  3662.08  170.562  110.571   3.2359  112.586   2.6231 -2.014687 4.165534 
1 1 1   14    2   -7 o  151.658   2.3478  6644.32  205.643   0.0000   0.0000  6644.32  205.643  ?   ?   151.658   2.3478      ?      ? 
1 1 1   14    3   -7 o  285.749   2.0893 23598.06  344.418 23690.53  476.537 23496.93  498.355  286.340   2.8816  285.159   3.0260 1.181030 4.178522 
1 1 1   14    4   -7 o  112.409   2.7641  3650.89  179.447  3650.89  179.447   0.0000   0.0000  112.409   2.7641  ?   ?       ?      ? 
1 1 1   14    5   -7 o   57.627   4.7096  947.115  153.467  892.949  195.542  1033.99  247.645   55.531   6.0971   59.724   7.1796 -4.192928 9.419154 
1 1 1   14    6   -7 o   92.213   2.1124  2443.27  110.805  2535.56  173.760  2380.02  143.848   93.667   3.2120   90.758   2.7443 2.908653 4.224728 
1 1 1   14    7   -7 o   93.027   1.9452  2500.60  104.457  2397.93  147.004  2605.31  148.454   91.097   2.7941   94.956   2.7070 -3.859261 3.890333 
1 1 1   14    8   -7 o  143.760   2.2130  5966.55  182.886  6038.43  272.835  5907.89  246.453  144.540   3.2683  142.980   2.9845 1.560165 4.425988 
1 1 1   14    9   -7 o   56.214   4.3466  914.277  134.707  911.164  167.104  920.054  227.646   56.105   5.1570   56.322   6.9983 -0.2168808 8.693165 
1 1 1   14   10   -7 o   11.589   5.7903 -435.2321  159.929   0.0000   0.0000 -435.2321  159.929  ?   ?    11.589   5.7903      ?      ? 
1 1 1   14   11   -7 o   71.352   3.2677  1423.90  124.273  1350.96  147.651  1601.11  230.139   68.350   3.7404   74.354   5.3592 -6.004066 6.535393 
1 1 1   14   12   -7 o  110.064   3.0877  3536.02  194.522  3180.95  285.040  3845.53  266.124  104.829   4.7080  115.299   3.9964 -10.47005 6.175488 
1 1 1   14   13   -7 o   59.079   3.6367  1002.41  122.765  955.808  160.691  1067.73  190.263   57.454   4.8427   60.704   5.4269 -3.249763 7.273458 
1 1 1   14   14   -7 o  198.271   1.9215 11369.70  200.093 11379.95  237.873 11344.89  370.017  198.462   2.0753  198.080   3.2344 0.3817291 3.842969 
1 1 1   14   15   -7 o   35.011   7.1541  369.247  139.771  369.247  139.771   0.0000   0.0000   35.011   7.1541  ?   ?       ?      ? 
1 1 1   14   16   -7 o   60.951   5.2691  1083.20  184.771  1103.77  251.956  1059.27  271.780   61.601   7.0819   60.300   7.8039 1.301060 10.53821 
1 1 1   14   17   -7 o  109.467   2.4616  3424.15  152.623  3679.06  244.360  3261.09  195.431  112.750   3.7526  106.184   3.1867 6.565300 4.923126 
1 1 1   14   18   -7 o  152.041   1.7463  6689.76  152.930  6793.94  209.643  6571.27  223.581  153.314   2.3676  150.768   2.5677 2.545624 3.492659 
1 1 1   14   19   -7 o   19.444   6.5323 -328.1254  192.161 -316.7279  309.498 -335.2752  245.133   21.193   9.9509   17.695   8.4654 3.498184 13.06458 
1 1 1   14   20   -7 o  186.360   2.5949 10040.06  278.762 10270.67  408.864  9839.74  381.061  188.346   3.7587  184.375   3.5786 3.971176 5.189788 
1 1 1   14   21   -7 o   21.343   9.2395 -24.7165  209.638 -24.7165  209.638   0.0000   0.0000   21.343   9.2395  ?   ?       ?      ? 
1 1 1   14   22   -7 o  105.954   2.7308  3246.54  167.104  3246.54  167.104   0.0000   0.0000  105.954   2.7308  ?   ?       ?      ? 
1 1 1   14   23   -7 o   52.313   4.8709  802.084  146.063  755.093  216.346  841.443  197.999   50.863   7.3649   53.764   6.3766 -2.901218 9.741766 
1 1 1   14   24   -7 o   96.441   3.3636  2772.41  182.220  2192.98  270.302  3255.10  246.707   86.887   5.3865  105.995   4.0301 -19.10782 6.727257 
1 1 1   14   25   -7 o   96.673   3.6692  2706.51  204.861   0.0000   0.0000  2706.51  204.861  ?   ?    96.673   3.6692      ?      ? 
1 1 1   14   26   -7 o  116.151   3.6738  4001.73  211.815  4084.33  245.092  3757.99  421.018  118.756   3.5735  113.547   6.4201 5.208389 7.347574 
1 1 1   14   27   -7 o  217.251   2.5097 13660.24  314.745 13303.08  437.009 14045.17  453.691  214.307   3.5308  220.196   3.5675 -5.889221 5.019317 
1 1 1   14   28   -7 o  100.158   3.4900  2847.25  161.566  3031.65  366.142  2802.67  180.043  101.933   6.2194   98.384   3.1686 3.549377 6.980058 
1 1 1   14   29   -7 o  183.924   2.4822  9629.79  261.305 11403.97  401.503  8326.14  344.169  198.360   3.5047  169.489   3.5160 28.87045 4.964358 
1 1 1   14   30   -7 o   70.824   4.4394  1366.24  130.388  1619.58  347.109  1324.62  140.692   74.069   8.1142   67.580   3.6047 6.489449 8.878815 
1 1 1   14   31   -7 f  123.823   3.3185  4481.98  236.272  4240.80  344.745  4695.61  324.455  120.611   4.9491  127.035   4.4223 -6.423737 6.637025 
1 1 1   14   32   -7 o   80.377   4.8577  1885.63  225.498   0.0000   0.0000  1885.63  225.498  ?   ?    80.377   4.8577      ?      ? 
1 1 1   14   33   -7 o   45.957   6.5903  652.280  140.421  643.852  310.953  654.439  157.382   44.734   11.848   47.180   5.7758 -2.446087 13.18068 
1 1 1   14   34   -7 o   9.4836   4.7974 -438.5537  128.965   0.0000   0.0000 -438.5537  128.965  ?   ?    9.4836   4.7974      ?      ? 
1 1 1   14   35   -7 o  103.520   3.6843  3179.22  218.701  3360.66  297.900  2967.10  322.094  106.897   4.8252  100.142   5.5690 6.754761 7.368667 
1 1 1   14   36   -7 o   16.909   7.1583   14.921  120.773   0.0000   0.0000   14.921  120.773  ?   ?    16.909   7.1583      ?      ? 
1 1 1   14   37   -7 f   68.458   4.8443  1391.16  191.532  1391.16  191.532   0.0000   0.0000   68.458   4.8443  ?   ?       ?      ? 
1 1 1   14   38   -7 o   20.918   6.2930   10.032  145.393 -307.5123  266.247  144.963  173.555   18.168   8.7263   23.667   9.0696 -5.498831 12.58595 
1 1 1   14   39   -7 o   56.102   3.0056  944.643   96.433  855.552  141.970  1020.96  131.396   53.484   4.5961   58.720   3.8745 -5.235512 6.011286 
1 1 1   14   40   -7 o   35.521   5.7317  435.816  112.116  474.461  136.716  356.459  195.915   39.191   6.0401   31.851   9.7430 7.340528 11.46340 
1 1 1   14   41   -7 o   40.611   6.0215  534.699  124.839  508.499  145.517  607.737  242.964   40.355   6.2436   40.867   10.298 -0.5127296 12.04294 
1 1 1   14   42   -7 o   26.890   7.2155  220.145  129.131  209.364  142.052  271.454  309.883   25.009   8.3650   28.772   11.759 -3.763147 14.43099 
1 1 1   14   43   -7 f   24.704   6.0295  155.505  104.976   58.222  127.180  363.484  185.955   18.025   7.4673   31.384   9.4688 -13.35924 12.05896 
1 1 1   14   44   -7 o   16.081   5.4865 -135.7717  128.302 -64.9939  140.053 -505.2621  319.996   14.989   6.9204   17.173   8.5156 -2.184115 10.97302 
1 1 1   14    0   -8 o   13.297   6.5144 -217.1057  174.515 -129.2770  236.283 -322.5225  258.863   14.123   9.5927   12.470   8.8164 -0.000000 0.000000 
1 1 1   14    1   -8 o  186.400   2.1379 10039.99  230.144 10150.22  326.324  9930.90  324.628  187.418   3.0148  185.382   3.0320 2.036606 4.275737 
1 1 1   14    2   -8 o  144.123   2.0548  5980.94  165.017  6081.70  272.921  5922.88  207.177  145.064   3.2576  143.181   2.5054 1.883148 4.109564 
1 1 1   14    3   -8 o   34.142   7.8326  328.190  175.287  329.342  230.699  326.616  269.610   33.812   10.611   34.471   11.524 -0.6586418 15.66524 
1 1 1   14    4   -8 o   60.007   4.6985  1067.38  145.937  988.786  271.023  1099.47  173.189   58.367   8.0399   61.647   4.8644 -3.279213 9.396925 
1 1 1   14    5   -8 o  130.784   2.0946  4941.06  158.214   0.0000   0.0000  4941.06  158.214  ?   ?   130.784   2.0946      ?      ? 
1 1 1   14    6   -8 f   95.108   2.2710  2613.74  124.666  2489.65  174.821  2742.14  177.827   92.810   3.2615   97.406   3.1610 -4.595413 4.541928 
1 1 1   14    7   -8 o  210.700   1.7965 12793.07  208.412 12715.18  257.937 12939.56  353.724  209.796   2.1288  211.604   2.8944 -1.807373 3.592938 
1 1 1   14    8   -8 o  139.147   2.1351  5647.09  164.353  5780.87  206.152  5413.75  272.261  141.446   2.5235  136.847   3.4448 4.599564 4.270239 
1 1 1   14    9   -8 o   90.582   2.9126  2424.68  144.290  2545.96  180.000  2206.62  241.353   93.846   3.3210   87.319   4.7859 6.527588 5.825258 
1 1 1   14   10   -8 o  142.701   2.2200  5883.41  182.960  5883.41  182.960   0.0000   0.0000  142.701   2.2200  ?   ?       ?      ? 
1 1 1   14   11   -8 o   85.551   3.8219  2139.35  186.082  1994.38  282.976  2249.81  246.997   82.948   5.9069   88.154   4.8514 -5.205948 7.643759 
1 1 1   14   12   -8 o   62.044   3.7011  1132.84  130.516  1279.67  177.927  961.808  192.034   66.486   4.6336   57.601   5.7725 8.885372 7.402184 
1 1 1   14   13   -8 o   75.516   4.3708  1650.65  190.625  1650.65  190.625   0.0000   0.0000   75.516   4.3708  ?   ?       ?      ? 
1 1 1   14   14   -8 o   17.827   6.0327 -326.8277  172.446 -264.7325  218.570 -429.2130  280.661   17.245   8.1772   18.409   8.8718 -1.164240 12.06549 
1 1 1   14   15   -8 o  174.542   1.8639  8780.39  183.924  8682.45  236.383  8930.65  292.796  173.329   2.3613  175.754   2.8845 -2.425507 3.727790 
1 1 1   14   16   -8 o   65.367   5.1998  1294.53  177.135  1122.77  318.912  1371.17  213.016   61.979   8.9093   68.756   5.3643 -6.777706 10.39960 
1 1 1   14   17   -8 o  127.798   3.0017  4722.71  212.399  4703.87  264.814  4756.69  355.641  127.494   3.5964  128.102   4.8070 -0.6073837 6.003398 
1 1 1   14   18   -8 o  116.312   3.2775  3880.53  211.292  3780.65  262.460  4064.49  356.183  114.264   3.9771  118.360   5.2105 -4.095848 6.554924 
1 1 1   14   19   -8 o  124.540   3.5831  4533.56  255.376  4191.39  378.694  4818.94  345.849  120.151   5.4573  128.928   4.6447 -8.776878 7.166202 
1 1 1   14   20   -8 o  ?   ?  -875.8690  175.372 -875.8690  175.372   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   14   21   -8 o  124.555   3.2286  4489.07  232.253  4489.07  232.253   0.0000   0.0000  124.555   3.2286  ?   ?       ?      ? 
1 1 1   14   22   -8 o  107.612   3.2908  3351.23  204.525  3351.23  204.525   0.0000   0.0000  107.612   3.2908  ?   ?       ?      ? 
1 1 1   14   23   -8 o   70.767   6.9177  1568.64  256.964  1772.49  326.323  1235.93  416.897   77.934   7.2499   63.600   11.784 14.33464 13.83539 
1 1 1   14   24   -8 f  118.466   3.3436  4062.13  228.770  4062.13  228.770   0.0000   0.0000  118.466   3.3436  ?   ?       ?      ? 
1 1 1   14   25   -8 o   65.915   5.7387  1226.78  200.696  1390.20  374.892  1161.13  237.613   68.713   9.4467   63.117   6.5184 5.596874 11.47734 
1 1 1   14   26   -8 o  116.766   3.8899  3950.14  256.203  3896.11  327.743  4035.03  410.827  115.828   4.8993  117.703   6.0435 -1.874710 7.779878 
1 1 1   14   27   -8 o  119.634   3.1191  4143.27  215.510   0.0000   0.0000  4143.27  215.510  ?   ?   119.634   3.1191      ?      ? 
1 1 1   14   28   -8 o   43.533   6.7364  604.826  134.747  503.070  312.026  628.152  149.396   40.629   12.267   46.437   5.5704 -5.808186 13.47272 
1 1 1   14   29   -8 o  100.608   4.1552  2975.02  239.370  3151.91  324.440  2763.71  354.609  103.997   5.4017   97.220   6.3155 6.777084 8.310470 
1 1 1   14   30   -8 o  112.062   3.6056  3682.57  231.880  3967.76  319.362  3364.60  337.220  116.750   4.7363  107.375   5.4378 9.375557 7.211301 
1 1 1   14   31   -8 o   69.463   4.4962  1464.83  155.442  1319.14  303.549  1516.61  180.970   66.737   7.8755   72.189   4.3406 -5.452690 8.992455 
1 1 1   14   32   -8 o   42.954   8.2492  589.490  210.409  635.856  288.113  536.498  308.009   44.741   11.181   41.168   12.132 3.573303 16.49839 
1 1 1   14   33   -8 o  105.257   3.2891  3261.90  178.017  3289.47  209.307  3189.82  338.457  106.370   3.4070  104.144   5.6271 2.226395 6.578144 
1 1 1   14   34   -8 o   20.014   5.9999   24.639  112.162   26.144  203.526   23.983  134.415   21.854   9.2743   18.173   7.6147 3.680702 11.99978 
1 1 1   14   35   -8 o   36.471   8.1502  420.017  167.352   0.0000   0.0000  420.017  167.352  ?   ?    36.471   8.1502      ?      ? 
1 1 1   14   36   -8 f   51.024   6.2253  822.056  167.798  824.733  290.675  820.718  205.496   49.986   10.407   52.061   6.8345 -2.074818 12.45053 
1 1 1   14   37   -8 o   19.107   6.1699 -78.1541  145.454 -292.7663  282.401  -0.6627  169.694   19.192   9.1552   19.022   8.2736 0.1700993 12.33980 
1 1 1   14   38   -8 o   67.454   5.2634  1419.52  203.860  1227.15  280.143  1636.05  297.216   62.373   7.7767   72.535   7.0948 -10.16167 10.52683 
1 1 1   14   39   -8 o   76.436   4.2559  1778.52  158.400  1764.63  180.990  1823.96  327.415   77.054   4.0670   75.818   7.4772 1.235680 8.511748 
1 1 1   14   40   -8 o   51.515   3.7370  812.611  109.084  832.529  142.517  784.434  169.507   52.565   4.6945   50.465   5.8158 2.099346 7.474080 
1 1 1   14   41   -8 o   16.302   5.2682 -58.6944  109.235 -16.3651  135.634 -136.8289  184.276   16.298   7.2308   16.307   7.6638 -0.9674072E-02 10.53648 
1 1 1   14   42   -8 o   18.929   5.6147   52.707  102.350   26.100  133.752   90.303  158.987   17.351   7.4446   20.507   8.4070 -3.156563 11.22937 
1 1 1   14   43   -8 o   32.110   6.6540  377.818  125.932  371.730  151.456  391.456  226.676   32.562   8.0896   31.657   10.567 0.9056473 13.30798 
1 1 1   14   44   -8 o   60.192   5.7882  1155.30  201.219   0.0000   0.0000  1155.30  201.219  ?   ?    60.192   5.7882      ?      ? 
1 1 1   14    0   -9 o   74.816   4.1029  1609.72  171.314  1832.02  277.379  1472.64  217.824   78.873   6.1763   70.759   5.4026 -0.000000 0.000000 
1 1 1   14    1   -9 o  144.669   2.5108  6046.50  209.372  6104.54  306.554  5995.75  286.641  145.315   3.6527  144.023   3.4460 1.292023 5.021681 
1 1 1   14    2   -9 o   67.003   4.3001  1297.12  159.476  1311.88  267.492  1288.97  198.639   67.269   6.8851   66.737   5.1536 0.5323105 8.600278 
1 1 1   14    3   -9 o   46.658   6.8785  631.155  185.355   0.0000   0.0000  631.155  185.355  ?   ?    46.658   6.8785      ?      ? 
1 1 1   14    4   -9 o   80.921   2.2524  1895.20  105.118  1981.62  147.337  1805.61  150.020   82.805   3.0808   79.037   3.2865 3.767448 4.504728 
1 1 1   14    5   -9 o  149.854   2.0648  6573.91  166.922  6733.36  203.947  6250.35  290.519  152.663   2.3131  147.045   3.4209 5.618896 4.129536 
1 1 1   14    6   -9 f  117.094   2.4575  3909.09  159.458  3777.35  197.655  4154.67  269.858  114.324   2.9935  119.864   3.8982 -5.539749 4.914995 
1 1 1   14    7   -9 o  299.210   2.2569 25881.89  389.838 25740.80  558.841 26015.63  544.084  298.411   3.2426  300.009   3.1401 -1.598206 4.513816 
1 1 1   14    8   -9 o  196.301   2.1901 11132.86  248.295   0.0000   0.0000 11132.86  248.295  ?   ?   196.301   2.1901      ?      ? 
1 1 1   14    9   -9 o  230.890   1.8532 15380.89  235.785 15323.50  292.267 15487.85  399.029  230.299   2.1974  231.481   2.9847 -1.182159 3.706348 
1 1 1   14   10   -9 o  228.322   2.4109 15048.57  316.893 15370.02  469.485 14779.55  429.489  230.547   3.5259  226.096   3.2891 4.451599 4.821861 
1 1 1   14   11   -9 o   77.202   3.0769  1723.05  137.191  1723.05  137.191   0.0000   0.0000   77.202   3.0769  ?   ?       ?      ? 
1 1 1   14   12   -9 o  176.608   2.0778  9099.41  189.195  9202.74  222.809  8832.34  358.205  178.465   2.1617  174.750   3.5492 3.715057 4.155671 
1 1 1   14   13   -9 o  ?   ?  -1107.2740  161.152 -1107.2740  161.152   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   14   14   -9 o  129.940   1.9534  4875.11  146.447  5007.82  212.914  4755.96  201.750  131.614   2.8010  128.266   2.7234 3.348434 3.906762 
1 1 1   14   15   -9 o   18.409   6.2932 -494.4592  206.026 -318.3257  289.475 -675.2695  293.293   20.227   9.5364   16.592   8.2142 3.634554 12.58636 
1 1 1   14   16   -9 o  233.615   1.9435 15831.45  244.653 15925.22  297.163 15634.17  431.021  234.745   2.1919  232.486   3.2101 2.258774 3.887019 
1 1 1   14   17   -9 o   71.703   4.7679  1490.47  197.447  1490.47  197.447   0.0000   0.0000   71.703   4.7679  ?   ?       ?      ? 
1 1 1   14   18   -9 o  147.226   2.6998  6267.53  229.562   0.0000   0.0000  6267.53  229.562  ?   ?   147.226   2.6998      ?      ? 
1 1 1   14   19   -9 o   35.213   6.7669  149.014  207.069 -475.7091  286.556  831.704  299.556   18.138   8.7953   52.287   10.286 -34.14838 13.53377 
1 1 1   14   20   -9 o   35.819   9.7937  389.433  208.422  389.433  208.422   0.0000   0.0000   35.819   9.7937  ?   ?       ?      ? 
1 1 1   14   21   -9 o  118.580   3.0541  4067.91  209.159  4067.91  209.159   0.0000   0.0000  118.580   3.0541  ?   ?       ?      ? 
1 1 1   14   22   -9 o   32.442   8.2330  261.375  200.294  156.054  293.101  353.647  274.344   29.654   11.668   35.230   11.619 -5.576225 16.46593 
1 1 1   14   23   -9 o   90.958   5.5684  2445.15  288.883  2636.92  389.613  2210.99  430.528   95.068   7.0960   86.847   8.5835 8.221611 11.13683 
1 1 1   14   24   -9 o   46.380   6.8021  627.359  182.204   0.0000   0.0000  627.359  182.204  ?   ?    46.380   6.8021      ?      ? 
1 1 1   14   25   -9 o   81.308   4.3223  1924.70  187.302  1926.95  337.562  1923.70  225.139   81.209   7.1972   81.406   4.7886 -0.1970062 8.644651 
1 1 1   14   26   -9 o   28.916   8.0288  158.297  188.423   99.872  332.828  185.854  228.580   29.581   12.150   28.252   10.499 1.329359 16.05763 
1 1 1   14   27   -9 o   80.133   3.9588  1824.88  172.699  2004.08  305.504  1740.72  209.361   82.854   6.3843   77.412   4.6827 5.441826 7.917560 
1 1 1   14   28   -9 o  104.243   2.8600  3130.58  171.000  2972.27  226.661  3339.72  260.521  101.227   3.8770  107.260   4.2055 -6.032623 5.719921 
1 1 1   14   29   -9 f  168.470   2.1881  8244.26  201.122  8290.08  247.216  8154.59  345.869  169.253   2.5290  167.686   3.5713 1.567032 4.376115 
1 1 1   14   30   -9 o   61.564   5.4966  1112.20  178.147  1101.33  211.852  1138.45  329.182   61.338   5.9803   61.790   9.2243 -0.4520760 10.99327 
1 1 1   14   31   -9 o   48.269   6.9371  713.877  173.819  713.587  206.409  714.585  322.303   49.135   7.2737   47.403   11.815 1.731949 13.87423 
1 1 1   14   32   -9 o  183.048   2.1454  9682.16  222.962  9940.68  351.032  9507.33  288.669  185.011   3.2852  181.084   2.7602 3.926651 4.290822 
1 1 1   14   33   -9 o   46.140   5.4481  626.268  145.180   0.0000   0.0000  626.268  145.180  ?   ?    46.140   5.4481      ?      ? 
1 1 1   14   34   -9 o   38.969   6.9407  514.284  157.778  346.666  259.780  612.253  198.605   33.565   11.312   44.373   8.0461 -10.80740 13.88145 
1 1 1   14   35   -9 o   69.370   4.6695  1415.77  176.647  1537.93  309.889  1356.96  214.998   71.132   7.5433   67.609   5.5061 3.522278 9.339035 
1 1 1   14   36   -9 f   56.078   7.0417  1022.58  221.901  1041.53  301.325  1000.12  328.000   57.439   9.0834   54.717   10.763 2.721828 14.08348 
1 1 1   14   37   -9 o   38.734   7.2673  463.024  150.291  647.962  294.572  397.943  174.746   42.752   11.624   34.715   8.7256 8.036343 14.53468 
1 1 1   14   38   -9 o   32.464   6.9399  390.968  149.026  156.601  289.839  475.194  173.753   26.939   11.226   37.988   8.1627 -11.04869 13.87980 
1 1 1   14   39   -9 o   18.580   6.1369 -102.2293  149.065 -26.9644  168.906 -367.3257  316.993   17.948   8.0095   19.212   9.3002 -1.263672 12.27375 
1 1 1   14   40   -9 o   78.134   4.1514  1869.68  156.260  1856.58  177.846  1914.04  327.242   78.970   3.8994   77.298   7.3302 1.672249 8.302844 
1 1 1   14   41   -9 o   39.936   7.0531  553.977  140.209  541.330  156.210  606.391  318.019   41.381   6.5362   38.490   12.501 2.891109 14.10625 
1 1 1   14   42   -9 o   49.042   4.3965  749.219  122.972  689.855  159.572  836.028  192.964   46.907   5.8903   51.178   6.5284 -4.271416 8.792921 
1 1 1   14   43   -9 o   75.924   3.2725  1732.88  135.862  1666.31  166.071  1867.59  236.246   74.414   3.8641   77.434   5.2826 -3.020424 6.545017 
1 1 1   14    0  -10 o   84.779   3.4353  2158.26  153.265  2262.07  186.312  1940.96  269.557   88.252   3.6698   81.307   5.8084 -0.000000 0.000000 
1 1 1   14    1  -10 o   20.701   6.3856 -146.9593  163.943   94.681  213.455 -494.5352  256.004   24.940   9.9110   16.461   8.0544 8.479410 12.77110 
1 1 1   14    2  -10 o  255.166   2.2056 18810.24  325.036 18810.24  325.036   0.0000   0.0000  255.166   2.2056  ?   ?       ?      ? 
1 1 1   14    3  -10 f   38.282   7.3250  416.174  163.724  572.864  267.003  321.756  207.263   43.456   10.708   33.109   9.9983 10.34750 14.65001 
1 1 1   14    4  -10 o  198.792   1.8076 11504.66  198.263 11717.26  247.537 11124.21  331.134  201.392   2.1282  196.191   2.9224 5.200333 3.615195 
1 1 1   14    5  -10 o  123.757   2.9744  4289.42  204.699  3945.54  252.841  4943.58  348.726  116.809   3.7479  130.704   4.6197 -13.89500 5.948766 
1 1 1   14    6  -10 o   89.365   2.3252  2306.42  119.290  2329.24  179.188  2288.25  159.865   89.757   3.4567   88.974   3.1110 0.7831497 4.650492 
1 1 1   14    7  -10 o  193.684   2.3166 10806.38  258.527 11395.44  381.937 10308.27  351.217  198.534   3.3310  188.833   3.2204 9.700668 4.633192 
1 1 1   14    8  -10 o   78.804   2.6749  1836.94  116.099  1945.84  146.387  1652.31  190.609   82.044   3.0894   75.564   4.3676 6.480354 5.349779 
1 1 1   14    9  -10 o  154.508   2.1408  6897.92  149.548  6896.04  166.050  6905.98  344.099  154.503   1.8609  154.512   3.8560 -0.9902954E-02 4.281528 
1 1 1   14   10  -10 o  145.468   2.7515  6116.30  231.166  6116.30  231.166   0.0000   0.0000  145.468   2.7515  ?   ?       ?      ? 
1 1 1   14   11  -10 o   36.975   7.3378  379.106  177.890  652.182  261.569  144.114  242.645   46.350   10.060   27.601   10.685 18.74892 14.67563 
1 1 1   14   12  -10 o  132.282   2.2052  5064.82  163.327  5080.51  207.152  5039.05  265.525  132.574   2.7055  131.989   3.4832 0.5852814 4.410498 
1 1 1   14   13  -10 o   53.519   6.5101  879.280  185.595  947.947  233.157  760.524  306.622   57.089   7.0715   49.949   10.932 7.139988 13.02021 
1 1 1   14   14  -10 o   75.106   4.5511  1634.11  197.410  1634.11  197.410   0.0000   0.0000   75.106   4.5511  ?   ?       ?      ? 
1 1 1   14   15  -10 o  265.162   1.9153 20399.61  270.688 20515.22  325.751 20141.68  486.566  266.442   2.1169  263.882   3.1926 2.559357 3.830664 
1 1 1   14   16  -10 o   82.162   3.1819  1929.09  146.770  2068.89  240.963  1846.64  185.061   84.466   4.9395   79.857   4.0125 4.609161 6.363846 
1 1 1   14   17  -10 o  136.293   1.7325  5346.51  135.061  5208.66  177.978  5533.69  207.386  134.239   2.2956  138.346   2.5955 -4.106827 3.465068 
1 1 1   14   18  -10 o  225.979   2.3069 14761.15  301.075   0.0000   0.0000 14761.15  301.075  ?   ?   225.979   2.3069      ?      ? 
1 1 1   14   19  -10 o  109.661   3.9022  3718.67  227.801  4224.63  285.318  2829.04  378.335  120.759   4.0909   98.562   6.6463 22.19717 7.804443 
1 1 1   14   20  -10 o   55.678   8.1834  942.287  254.427  784.323  345.496  1129.45  376.075   50.430   12.030   60.925   11.097 -10.49442 16.36675 
1 1 1   14   21  -10 o  135.186   2.9638  5278.72  200.562  5261.64  231.545  5330.05  401.349  134.866   2.9727  135.506   5.1284 -0.6401520 5.927631 
1 1 1   14   22  -10 o  152.664   2.9264  6786.25  255.210  6995.44  339.914  6515.97  386.379  155.417   3.7869  149.911   4.4627 5.505341 5.852870 
1 1 1   14   23  -10 o  113.728   4.0091  3747.72  263.330   0.0000   0.0000  3747.72  263.330  ?   ?   113.728   4.0091      ?      ? 
1 1 1   14   24  -10 f  167.128   3.0106  8055.29  289.323  8544.08  434.236  7665.07  387.989  171.643   4.3804  162.613   4.1312 9.030502 6.021210 
1 1 1   14   25  -10 o   82.385   3.6074  1966.07  171.645   0.0000   0.0000  1966.07  171.645  ?   ?    82.385   3.6074      ?      ? 
1 1 1   14   26  -10 o   20.069   8.5563   1.4726  174.665   0.0000   0.0000   1.4726  174.665  ?   ?    20.069   8.5563      ?      ? 
1 1 1   14   27  -10 o   16.952   5.9427 -727.3422  220.690 -930.8820  339.752 -578.7784  290.265   16.690   8.3539   17.214   8.4542 -0.5239544 11.88533 
1 1 1   14   28  -10 o  137.037   2.9316  5437.72  232.025   0.0000   0.0000  5437.72  232.025  ?   ?   137.037   2.9316      ?      ? 
1 1 1   14   29  -10 o   71.742   5.7908  1524.75  237.017  1233.89  328.798  1839.40  341.974   64.469   8.8307   79.016   7.4936 -14.54726 11.58169 
1 1 1   14   30  -10 o  100.535   4.2414  3030.70  239.953  3649.45  330.857  2344.12  348.520  111.812   5.1235   89.257   6.7608 22.55522 8.482859 
1 1 1   14   31  -10 o  129.365   3.1057  4862.17  230.404  5710.53  336.095  4110.00  316.470  140.040   4.1555  118.689   4.6167 21.35028 6.211491 
1 1 1   14   32  -10 o  101.080   3.2851  2987.68  181.783  2985.27  310.962  2988.93  224.054  100.850   5.3388  101.310   3.8293 -0.4600143 6.570104 
1 1 1   14   33  -10 o   58.922   5.4311  1022.71  180.061  1134.88  295.249  956.286  227.204   61.234   8.3485   56.610   6.9492 4.623722 10.86228 
1 1 1   14   34  -10 o  119.974   2.7770  4203.44  187.389  4238.18  301.795  4181.64  239.054  120.206   4.3471  119.743   3.4567 0.4634247 5.553932 
1 1 1   14   35  -10 o   19.920   8.6067   4.0225  181.203   0.0000   0.0000   4.0225  181.203  ?   ?    19.920   8.6067      ?      ? 
1 1 1   14   36  -10 o   60.423   5.3698  1144.72  167.301  1089.34  311.190  1167.24  198.414   58.427   9.2221   62.420   5.5038 -3.993538 10.73958 
1 1 1   14   37  -10 o   56.256   6.6149  1036.26  208.152  1233.15  304.750  864.086  284.985   62.113   8.4953   50.399   10.142 11.71432 13.22985 
1 1 1   14   38  -10 o   33.921   8.0274  394.321  206.440  127.732  301.201  630.505  283.504   26.395   11.244   41.446   11.460 -15.05007 16.05489 
1 1 1   14   39  -10 o   30.543   6.6912  329.320  138.130  431.206  182.531  192.785  211.301   35.380   8.9317   25.705   9.9655 9.674519 13.38234 
1 1 1   14   40  -10 o   44.857   6.8007  838.319  145.133  928.198  161.835  469.062  328.028   55.223   5.0742   34.491   12.619 20.73213 13.60133 
1 1 1   14   41  -10 o   47.281   5.0360  705.028  135.979  600.346  177.739  852.774  211.157   43.134   7.1347   51.428   7.1092 -8.293915 10.07196 
1 1 1   14   42  -10 o   16.467   5.4509 -211.7581  148.158   26.728  176.228 -786.6630  273.616   19.146   8.3771   13.789   6.9767 5.357343 10.90185 
1 1 1   14   43  -10 o   17.603   7.5484   38.190  137.370   0.0000   0.0000   38.190  137.370  ?   ?    17.603   7.5484      ?      ? 
1 1 1   14    0  -11 o  139.804   2.6944  5652.49  217.368  5652.49  217.368   0.0000   0.0000  139.804   2.6944  139.804   2.6944 -0.000000 0.000000 
1 1 1   14    1  -11 o   96.338   2.8019  2682.23  155.898  2682.23  155.898   0.0000   0.0000   96.338   2.8019  ?   ?       ?      ? 
1 1 1   14    2  -11 o  198.244   1.6117 11353.32  184.511 11220.82  258.968 11489.92  262.953  197.070   2.2753  199.418   2.2831 -2.348724 3.223304 
1 1 1   14    3  -11 o  214.748   2.2365 13310.87  277.082 12925.61  381.138 13742.73  403.528  211.460   3.1208  218.036   3.2045 -6.575516 4.473070 
1 1 1   14    4  -11 f  ?   ?  -800.7678  170.520 -800.7678  170.520   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   14    5  -11 o   20.141   6.5953 -364.1819  152.418   62.538  316.210 -493.3322  173.961   28.385   11.768   11.898   5.9586 16.48727 13.19063 
1 1 1   14    6  -11 o  133.369   1.9124  5167.08  146.159  5387.33  197.391  4899.75  217.465  136.539   2.5031  130.198   2.8920 6.340622 3.824841 
1 1 1   14    7  -11 o  177.739   1.9665  9150.62  192.802  9198.16  239.812  9063.73  324.219  178.417   2.3273  177.061   3.1705 1.356308 3.932995 
1 1 1   14    8  -11 o   91.468   2.5301  2413.36  133.440  2312.82  182.421  2529.07  195.702   89.426   3.5320   93.510   3.6237 -4.083626 5.060287 
1 1 1   14    9  -11 o   84.933   2.2216  2082.55  108.849  2023.99  149.654  2148.32  158.605   83.669   3.0970   86.197   3.1860 -2.528419 4.443169 
1 1 1   14   10  -11 o   66.639   3.6028  1324.60  134.596  1060.29  202.180  1534.98  180.374   60.460   5.7901   72.819   4.2889 -12.35883 7.205571 
1 1 1   14   11  -11 o  118.856   3.0771  4120.14  204.390  4213.41  259.879  3968.89  330.934  120.675   3.7288  117.038   4.8958 3.636307 6.154136 
1 1 1   14   12  -11 o  113.970   3.0065  3755.92  197.896  3755.92  197.896   0.0000   0.0000  113.970   3.0065  ?   ?       ?      ? 
1 1 1   14   13  -11 o   43.326   6.5568  587.190  152.956  476.849  266.505  641.389  186.782   39.698   11.159   46.955   6.8877 -7.256405 13.11367 
1 1 1   14   14  -11 o   81.314   3.8893  1966.84  169.642  1785.15  294.379  2057.18  207.575   78.352   6.5054   84.277   4.2646 -5.924889 7.778614 
1 1 1   14   15  -11 o  103.801   3.3371  3114.47  197.345  3177.06  306.652  3070.22  257.831  104.658   5.0733  102.945   4.3366 1.713295 6.674133 
1 1 1   14   16  -11 o   80.552   2.9293  1915.82  129.733  1755.47  214.969  2007.68  162.701   77.808   4.7837   83.296   3.3821 -5.487473 5.858523 
1 1 1   14   17  -11 o   26.588   6.3528  164.498  114.900  295.333  193.260   92.967  142.899   31.648   9.6761   21.527   8.2345 10.12034 12.70562 
1 1 1   14   18  -11 o   91.361   3.0364  2334.14  144.441  2614.94  278.319  2230.63  168.979   94.926   5.0766   87.796   3.3325 7.129601 6.072702 
1 1 1   14   19  -11 o  104.796   3.9728  3181.14  240.453   0.0000   0.0000  3181.14  240.453  ?   ?   104.796   3.9728      ?      ? 
1 1 1   14   20  -11 o   25.208   8.3173  177.711  140.578   0.0000   0.0000  177.711  140.578  ?   ?    25.208   8.3173      ?      ? 
1 1 1   14   21  -11 o  112.705   3.6127  3726.44  226.061  3541.19  370.328  3836.48  285.408  110.362   5.8101  115.048   4.2954 -4.686310 7.225458 
1 1 1   14   22  -11 o  107.730   3.8111  3373.81  232.931  3361.32  364.930  3382.40  302.588  107.500   5.8778  107.961   4.8529 -0.4603500 7.622293 
1 1 1   14   23  -11 f   30.772   8.7646   88.548  251.467  304.475  356.086 -126.2735  355.173   35.478   13.120   26.066   11.625 9.412182 17.52929 
1 1 1   14   24  -11 o  165.674   2.4975  7872.60  222.648  8160.20  397.903  7741.50  268.640  167.771   4.1065  163.578   2.8436 4.193237 4.994937 
1 1 1   14   25  -11 o   76.364   4.0877  1696.26  180.180  1628.85  250.178  1768.90  259.717   74.788   5.7921   77.939   5.7698 -3.151505 8.175466 
1 1 1   14   26  -11 o  142.757   2.3300  5911.54  191.741  6080.96  265.556  5727.02  277.141  144.913   3.1730  140.601   3.4129 4.311111 4.660010 
1 1 1   14   27  -11 o   72.266   6.1689  1525.61  257.470   0.0000   0.0000  1525.61  257.470  ?   ?    72.266   6.1689      ?      ? 
1 1 1   14   28  -11 o  164.713   2.9616  7858.09  281.733   0.0000   0.0000  7858.09  281.733  ?   ?   164.713   2.9616      ?      ? 
1 1 1   14   29  -11 o   80.543   4.5038  1961.93  191.459  1750.96  339.715  2060.14  231.775   76.995   7.6395   84.090   4.7724 -7.095284 9.007676 
1 1 1   14   30  -11 o   65.054   5.1744  1170.33  185.294  1530.65  328.265  1001.84  224.475   71.792   7.9170   58.317   6.6648 13.47548 10.34888 
1 1 1   14   31  -11 o   95.550   4.3227  2719.23  235.555  3106.44  326.780  2300.41  339.857  102.889   5.4992   88.210   6.6710 14.67916 8.645433 
1 1 1   14   32  -11 o   26.558   7.3116  156.497  161.130  246.396  180.227 -201.5521  359.676   28.756   9.4140   24.359   11.190 4.396868 14.62312 
1 1 1   14   33  -11 o   63.540   6.6980  1205.72  245.796   0.0000   0.0000  1205.72  245.796  ?   ?    63.540   6.6980      ?      ? 
1 1 1   14   34  -11 o   17.819   6.1670 -413.4031  178.590 -297.0170  331.082 -461.1642  212.091   21.534   10.167   14.104   6.9831 7.429257 12.33393 
1 1 1   14   35  -11 o   24.819   10.185  107.695  233.677   0.0000   0.0000  107.695  233.677  ?   ?    24.819   10.185      ?      ? 
1 1 1   14   36  -11 o   38.208   6.9370  547.757  151.595  284.204  318.820  624.750  172.322   31.219   12.203   45.197   6.6015 -13.97779 13.87393 
1 1 1   14   37  -11 o   58.032   5.4143  955.271  168.522  1384.42  318.996  789.132  198.480   65.626   8.4164   50.438   6.8135 15.18760 10.82861 
1 1 1   14   38  -11 o   23.293   9.6842  105.009  214.999   0.0000   0.0000  105.009  214.999  ?   ?    23.293   9.6842      ?      ? 
1 1 1   14   39  -11 o   19.900   6.7343 -302.3698  224.015 -131.1716  307.302 -496.5124  327.248   21.583   10.063   18.216   8.9524 3.367867 13.46863 
1 1 1   14   40  -11 o   50.612   4.7699  801.072  137.776  651.975  184.173  990.541  207.616   45.118   7.0679   56.107   6.4071 -10.98836 9.539712 
1 1 1   14   41  -11 o   31.516   9.3662  360.277  182.964   0.0000   0.0000  360.277  182.964  ?   ?    31.516   9.3662      ?      ? 
1 1 1   14   42  -11 o   10.886   5.5113 -539.8245  172.491   0.0000   0.0000 -539.8245  172.491  ?   ?    10.886   5.5113      ?      ? 
1 1 1   14   43  -11 o   47.960   5.2232  721.597  144.679   0.0000   0.0000  721.597  144.679  ?   ?    47.960   5.2232      ?      ? 
1 1 1   14    0  -12 o  150.171   2.5098  6519.97  217.538   0.0000   0.0000  6519.97  217.538  150.171   2.5098  150.171   2.5098 -0.000000 0.000000 
1 1 1   14    1  -12 o  136.858   2.2658  5446.23  155.346  5352.24  308.531  5478.15  179.799  136.022   3.9274  137.693   2.2609 -1.671158 4.531686 
1 1 1   14    2  -12 o   90.040   3.3936  2198.03  139.137  2595.55  329.663  2111.87  153.476   94.609   6.0332   85.470   3.1091 9.138969 6.787238 
1 1 1   14    3  -12 o   78.734   3.4620  1866.18  129.418  1670.27  270.750  1924.20  147.340   75.885   6.1777   81.583   3.1270 -5.698143 6.924029 
1 1 1   14    4  -12 o  180.104   2.1843  9491.19  214.102  9729.15  263.840  9032.31  366.380  183.485   2.4897  176.722   3.5897 6.762909 4.368598 
1 1 1   14    5  -12 o  135.658   2.0089  5325.81  152.786  5346.07  194.224  5292.92  247.468  136.012   2.4725  135.303   3.1669 0.7099304 4.017745 
1 1 1   14    6  -12 o   20.891   6.4720 -20.9971  123.459 -24.5379  270.823 -20.0683  138.710   24.450   10.543   17.331   7.5092 7.119022 12.94396 
1 1 1   14    7  -12 o   63.585   3.4618  1169.17  124.102  1180.26  198.759  1162.09  158.877   63.811   5.3932   63.360   4.3417 0.4512177 6.923658 
1 1 1   14    8  -12 o  135.277   2.2516  5290.82  175.796  5315.36  253.658  5268.14  243.856  135.576   3.2395  134.979   3.1281 0.5971375 4.503286 
1 1 1   14    9  -12 o   97.890   3.0041  2785.12  153.138  2748.60  286.403  2799.74  181.219   97.385   5.0922   98.395   3.1889 -1.010071 6.008274 
1 1 1   14   10  -12 o   92.090   3.8986  2428.63  192.544  2543.78  347.046  2377.42  231.430   93.574   6.4217   90.605   4.4226 2.968430 7.797260 
1 1 1   14   11  -12 o   76.103   3.4604  1678.87  129.179  1679.09  147.835  1678.18  265.648   76.187   3.3598   76.019   6.0506 0.1679688 6.920812 
1 1 1   14   12  -12 o  109.703   2.7583  3479.54  174.760   0.0000   0.0000  3479.54  174.760  ?   ?   109.703   2.7583      ?      ? 
1 1 1   14   13  -12 o  120.143   2.2053  4171.68  153.019   0.0000   0.0000  4171.68  153.019  ?   ?   120.143   2.2053      ?      ? 
1 1 1   14   14  -12 o   63.195   5.4406  1233.02  158.062  1052.56  340.210  1282.70  178.497   59.868   9.8394   66.522   4.6460 -6.654182 10.88115 
1 1 1   14   15  -12 o   90.747   3.3180  2351.65  152.004  2461.75  302.923  2314.60  175.730   92.059   5.6974   89.434   3.4022 2.624977 6.635928 
1 1 1   14   16  -12 o  159.962   2.8255  7439.37  258.941  7656.41  347.897  7169.78  387.726  162.621   3.7041  157.302   4.2678 5.318863 5.651096 
1 1 1   14   17  -12 o   72.237   4.9474  1460.82  177.111  1640.01  368.513  1407.00  201.966   74.841   8.5257   69.634   5.0219 5.206749 9.894816 
1 1 1   14   18  -12 o  101.405   4.2158  2979.74  246.900   0.0000   0.0000  2979.74  246.900  ?   ?   101.405   4.2158      ?      ? 
1 1 1   14   19  -12 o  152.567   2.6152  6740.05  230.427  6760.22  324.480  6719.53  327.283  152.800   3.6769  152.335   3.7200 0.4652557 5.230457 
1 1 1   14   20  -12 o  ?   ?  -1459.7800  240.394   0.0000   0.0000 -1459.7800  240.394  ?   ?   ?   ?       ?      ? 
1 1 1   14   21  -12 f  136.264   2.8767  5423.90  194.226  5295.35  391.272  5465.94  223.738  135.061   5.0161  137.466   2.8181 -2.404449 5.753490 
1 1 1   14   22  -12 o   26.759   8.0096 -281.0488  254.573  290.696  365.889 -817.5303  354.426   35.366   13.256   18.152   8.9942 17.21446 16.01921 
1 1 1   14   23  -12 o   33.282   11.182  311.158  253.849   0.0000   0.0000  311.158  253.849  ?   ?    33.282   11.182      ?      ? 
1 1 1   14   24  -12 o   66.282   5.7483  1331.86  190.317  1202.77  369.967  1378.31  221.933   63.743   10.050   68.821   5.5836 -5.077927 11.49652 
1 1 1   14   25  -12 o  237.196   2.6029 16276.61  356.569   0.0000   0.0000 16276.61  356.569  ?   ?   237.196   2.6029      ?      ? 
1 1 1   14   26  -12 o   78.841   4.7577  1811.82  184.643  1805.14  211.568  1833.18  378.215   78.811   4.6481   78.872   8.3030 -0.6056213E-01 9.515464 
1 1 1   14   27  -12 o  128.879   2.7159  4805.34  195.638  4762.69  246.802  4877.46  320.918  128.189   3.3336  129.569   4.2885 -1.379822 5.431794 
1 1 1   14   28  -12 o   35.995   7.8030  412.347  169.152  465.042  192.389  232.878  355.047   38.837   8.7830   33.153   12.900 5.684250 15.60592 
1 1 1   14   29  -12 o   46.729   9.7428  678.408  254.421   0.0000   0.0000  678.408  254.421  ?   ?    46.729   9.7428      ?      ? 
1 1 1   14   30  -12 o   56.201   6.3191  930.437  205.108   0.0000   0.0000  930.437  205.108  ?   ?    56.201   6.3191      ?      ? 
1 1 1   14   31  -12 o   38.492   8.5595  432.850  245.831   29.843  366.802  761.477  331.227   28.537   12.288   48.448   11.919 -19.91077 17.11904 
1 1 1   14   32  -12 o   61.353   5.7525  1099.40  177.849  1219.78  357.945  1059.94  204.935   62.862   9.8592   59.843   5.9295 3.018852 11.50493 
1 1 1   14   33  -12 o   68.806   5.5217  1402.54  219.425   0.0000   0.0000  1402.54  219.425  ?   ?    68.806   5.5217      ?      ? 
1 1 1   14   34  -12 o   72.266   5.7333  1611.41  239.005  1570.80  343.296  1649.61  332.949   71.247   8.3429   73.285   7.8664 -2.037643 11.46665 
1 1 1   14   35  -12 o   23.514   7.1552   13.610  186.538 -300.9436  329.186  162.391  226.395   21.029   9.9900   25.999   10.246 -4.970013 14.31042 
1 1 1   14   36  -12 o   49.392   7.5117  823.463  204.102  949.637  328.176  743.875  260.642   51.994   11.255   46.791   9.9511 5.203255 15.02334 
1 1 1   14   37  -12 o   13.484   4.7827 -505.8233  148.539 -590.1067  253.935 -461.9838  183.140   14.667   7.3236   12.300   6.1532 2.367322 9.565450 
1 1 1   14   38  -12 o   30.845   7.4099  317.169  146.134  386.644  277.390  290.481  171.927   32.570   11.647   29.120   9.1637 3.450144 14.81970 
1 1 1   14   39  -12 o   65.496   5.4717  1407.41  200.643  1317.32  316.887  1467.69  259.225   62.715   8.7488   68.278   6.5738 -5.562836 10.94332 
1 1 1   14   40  -12 o   13.642   4.7405 -318.0345  129.206 -261.6017  186.114 -370.5362  179.515   14.452   7.0261   12.832   6.3657 1.619884 9.480958 
1 1 1   14   41  -12 o   22.831   6.5941  134.300  138.560  167.574  188.967   95.606  203.778   23.724   9.3575   21.938   9.2933 1.786121 13.18822 
1 1 1   14   42  -12 o   28.512   7.4542  306.886  155.559  294.628  187.110  334.321  279.929   28.009   9.5993   29.014   11.407 -1.005060 14.90833 
1 1 1   14    0  -13 f   11.803   8.4407 -607.2217  141.425 -688.6198  167.672 -406.5510  263.267   11.803   8.4407   11.803   8.4407 -0.000000 0.000000 
1 1 1   14    1  -13 o  177.441   1.6045  9098.51  162.444  9095.14  249.898  9100.97  213.771  177.404   2.4390  177.479   2.0855 -0.7495117E-01 3.209089 
1 1 1   14    2  -13 o   51.333   4.0318  767.245  118.956  687.899  169.475  844.301  167.011   48.694   6.0262   53.973   5.3578 -5.278557 8.063601 
1 1 1   14    3  -13 o  100.842   2.4448  2942.51  142.108  2963.80  195.343  2918.58  207.115  101.235   3.3410  100.450   3.5701 0.7855911 4.889588 
1 1 1   14    4  -13 o  121.677   2.1910  4280.83  153.967  4290.61  217.546  4271.01  217.938  121.817   3.0921  121.538   3.1048 0.2792969 4.381922 
1 1 1   14    5  -13 o   86.841   3.1096  2196.46  154.665  2065.78  230.001  2304.32  208.968   84.452   4.7156   89.230   4.0549 -4.777603 6.219237 
1 1 1   14    6  -13 o   14.629   5.2562 -633.3374  159.473 -613.7301  183.432 -694.0328  322.733   11.452   5.7846   17.805   8.7779 -6.353396 10.51248 
1 1 1   14    7  -13 o  137.711   1.7403  5481.33  138.301  5486.20  191.863  5476.08  199.538  137.777   2.4112  137.645   2.5100 0.1319122 3.480515 
1 1 1   14    8  -13 o   38.757   6.2232  406.361  115.279  371.147  128.943  546.601  257.320   35.176   6.5892   42.338   10.559 -7.162216 12.44637 
1 1 1   14    9  -13 o  159.395   2.7623  7345.46  254.292  7345.46  254.292   0.0000   0.0000  159.395   2.7623  ?   ?       ?      ? 
1 1 1   14   10  -13 o   55.108   4.1278  920.792  125.543  1084.62  165.631  699.582  192.465   61.178   4.6877   49.039   6.7956 12.13951 8.255588 
1 1 1   14   11  -13 o   77.504   4.1792  1714.79  148.208  1696.01  164.790  1794.28  339.013   76.548   3.7274   78.461   7.4813 -1.912521 8.358482 
1 1 1   14   12  -13 o   71.148   4.5333  1421.44  181.057  1686.77  301.883  1272.39  226.270   76.118   6.8670   66.179   5.9200 9.938980 9.066520 
1 1 1   14   13  -13 o  174.958   2.3226  8881.72  217.792  8924.72  263.255  8788.46  387.701  175.695   2.5944  174.222   3.8531 1.472656 4.645114 
1 1 1   14   14  -13 o   42.016   7.9274  538.064  196.277  594.502  283.042  485.784  272.418   44.032   11.126   40.000   11.296 4.032104 15.85478 
1 1 1   14   15  -13 o  119.859   2.7841  4265.28  171.822  3927.24  321.314  4400.65  203.337  116.366   4.7810  123.352   2.8542 -6.985565 5.568148 
1 1 1   14   16  -13 o  137.473   2.6411  5542.99  165.597  5588.69  184.786  5356.59  373.183  139.045   2.3011  135.900   4.7546 3.144653 5.282166 
1 1 1   14   17  -13 o   89.620   3.2639  2326.04  168.821  2248.81  233.496  2410.62  244.373   88.065   4.5908   91.174   4.6408 -3.109100 6.527854 
1 1 1   14   18  -13 o  186.222   2.7329 10056.47  291.397 10142.97  388.432  9945.14  440.694  187.176   3.5932  185.267   4.1186 1.908585 5.465721 
1 1 1   14   19  -13 o   43.347   10.096  575.319  248.048   0.0000   0.0000  575.319  248.048  ?   ?    43.347   10.096      ?      ? 
1 1 1   14   20  -13 o  257.278   2.0247 19180.99  288.556 19027.23  480.842 19267.53  360.730  256.408   3.2470  258.148   2.4195 -1.740417 4.049348 
1 1 1   14   21  -13 o   71.969   4.5803  1502.95  186.777  1542.58  295.859  1476.68  240.836   72.695   7.0469   71.244   5.8531 1.451210 9.160641 
1 1 1   14   22  -13 o   75.747   5.5729  1668.75  243.799   0.0000   0.0000  1668.75  243.799  ?   ?    75.747   5.5729      ?      ? 
1 1 1   14   23  -13 o   66.287   6.2590  1281.10  239.616   0.0000   0.0000  1281.10  239.616  ?   ?    66.287   6.2590      ?      ? 
1 1 1   14   24  -13 o  226.453   2.5100 14833.39  328.273   0.0000   0.0000 14833.39  328.273  ?   ?   226.453   2.5100      ?      ? 
1 1 1   14   25  -13 o   51.020   8.3999  822.651  240.129  740.859  378.648  877.674  310.569   48.603   13.164   53.437   10.437 -4.834721 16.79972 
1 1 1   14   26  -13 o   81.096   5.2182  1915.90  244.401   0.0000   0.0000  1915.90  244.401  ?   ?    81.096   5.2182      ?      ? 
1 1 1   14   27  -13 o   52.509   6.3748  707.805  155.006  624.642  171.713  1073.87  360.263   46.162   6.4407   58.855   11.003 -12.69366 12.74959 
1 1 1   14   28  -13 o   80.907   4.4832  1902.88  187.543  1879.49  220.148  1964.78  358.101   80.301   4.7469   81.513   7.6067 -1.211754 8.966301 
1 1 1   14   29  -13 o   83.881   4.1338  1962.81  168.416  1881.14  190.206  2259.27  362.383   80.387   4.0969   87.375   7.1812 -6.987846 8.267613 
1 1 1   14   30  -13 o   76.521   4.7335  1722.08  198.947  1771.84  340.060  1696.19  245.309   77.069   7.6399   75.972   5.5908 1.097366 9.467056 
1 1 1   14   31  -13 o   86.220   4.4726  2186.70  221.774  2406.12  332.702  2011.25  297.513   90.056   6.3967   82.384   6.2528 7.671715 8.945189 
1 1 1   14   32  -13 o   31.289   7.2566  285.240  134.787  273.989  153.462  323.212  281.931   29.566   8.5208   33.012   11.749 -3.446373 14.51322 
1 1 1   14   33  -13 o   43.097   8.9913  595.472  216.560   0.0000   0.0000  595.472  216.560  ?   ?    43.097   8.9913      ?      ? 
1 1 1   14   34  -13 o   22.052   6.8050 -33.9396  111.863 -71.4162  119.794  221.276  312.615   14.184   6.4943   29.920   11.960 -15.73611 13.60991 
1 1 1   14   35  -13 o   13.706   6.7498 -364.6152  189.201   0.0000   0.0000 -364.6152  189.201  ?   ?    13.706   6.7498      ?      ? 
1 1 1   14   36  -13 o   22.359   7.0031  -0.0434  168.969   56.611  293.734 -28.0623  206.569   24.854   10.846   19.864   8.8615 4.990166 14.00616 
1 1 1   14   37  -13 o   48.258   6.9142  753.515  165.836  907.515  335.829  703.852  190.710   49.222   11.936   47.294   6.9820 1.928215 13.82846 
1 1 1   14   38  -13 o   43.815   7.5425  685.475  174.852  740.269  333.575  664.717  205.319   43.107   12.603   44.522   8.2899 -1.415634 15.08502 
1 1 1   14   39  -13 o   32.827   7.5434  255.990  132.154  738.263  329.595  163.603  144.258   42.617   12.547   23.036   8.3777 19.58078 15.08681 
1 1 1   14   40  -13 o   33.423   7.2783  374.266  136.513   0.0000   0.0000  374.266  136.513  ?   ?    33.423   7.2783      ?      ? 
1 1 1   14   41  -13 o   15.237   5.1380 -190.6780  130.173 -67.4068  168.496 -373.1776  205.017   16.529   7.6173   13.945   6.8974 2.584011 10.27606 
1 1 1   14   42  -13 o   43.546   5.5274  655.427  133.921  835.470  196.133  498.168  183.303   50.303   6.7511   36.789   8.7539 13.51330 11.05478 
1 1 1   14    0  -14 o  197.255   1.9730 11242.49  224.720 11242.49  224.720   0.0000   0.0000  197.255   1.9730  197.255   1.9730 -0.000000 0.000000 
1 1 1   14    1  -14 o   65.486   4.1542  1241.44  157.115  1241.44  157.115   0.0000   0.0000   65.486   4.1542  ?   ?       ?      ? 
1 1 1   14    2  -14 o   12.987   6.5066 -765.6888  134.008 -592.8286  208.338 -887.6791  175.019   12.987   6.5066  ?   ?       ?      ? 
1 1 1   14    3  -14 o   53.883   6.3855  970.410  140.040  1026.57  154.523  712.231  331.302   59.536   4.4939   48.230   11.954 11.30653 12.77091 
1 1 1   14    4  -14 o   33.708   7.0435  367.534  151.286  461.982  174.895   86.829  301.513   39.113   8.0117   28.302   11.587 10.81149 14.08704 
1 1 1   14    5  -14 o   31.632   6.7099  294.888  132.445  321.610  191.010  270.142  183.809   32.812   9.5207   30.451   9.4576 2.361511 13.41977 
1 1 1   14    6  -14 o   93.825   2.9911  2554.43  161.375  2611.75  219.663  2487.22  237.859   94.984   4.0043   92.665   4.4444 2.318748 5.982236 
1 1 1   14    7  -14 o  140.062   2.8561  5672.29  231.039   0.0000   0.0000  5672.29  231.039  ?   ?   140.062   2.8561      ?      ? 
1 1 1   14    8  -14 o   17.850   6.1861 -442.4417  176.054 -463.1219  206.100 -386.6176  338.619   14.043   6.9403   21.657   10.242 -7.613254 12.37221 
1 1 1   14    9  -14 o  157.299   1.7009  7132.04  153.949  7372.99  229.332  6934.39  207.706  159.705   2.4863  154.892   2.3218 4.812729 3.401894 
1 1 1   14   10  -14 o  175.635   2.2073  8896.78  186.089  8970.09  395.658  8875.96  210.867  176.016   3.8921  175.253   2.0833 0.7621002 4.414597 
1 1 1   14   11  -14 o   13.068   4.5759 -425.8969  128.694 -368.2874  183.883 -481.2067  180.175   13.775   6.7580   12.360   6.1712 1.415073 9.151792 
1 1 1   14   12  -14 o   16.258   5.7512 -462.0488  150.390 -475.8208  169.553 -411.2436  325.658   11.775   5.8952   20.741   9.8767 -8.965342 11.50231 
1 1 1   14   13  -14 o   46.348   7.3978  608.249  172.512  760.643  349.560  559.182  198.350   49.669   12.260   43.027   8.2826 6.642139 14.79553 
1 1 1   14   14  -14 o   88.794   2.5367  2296.07  128.352  2192.22  195.799  2374.33  169.964   87.003   3.8967   90.585   3.2488 -3.581734 5.073307 
1 1 1   14   15  -14 f   33.931   7.8007  302.876  172.005  218.805  215.613  450.029  285.255   29.081   10.282   38.781   11.734 -9.699795 15.60139 
1 1 1   14   16  -14 o   69.898   3.6951  1376.65  144.708  1587.67  241.782  1258.87  180.633   73.916   5.6637   65.880   4.7475 8.036011 7.390252 
1 1 1   14   17  -14 o  116.382   2.8634  3962.39  165.599  3848.83  331.748  4000.07  191.111  115.163   4.9878  117.602   2.8138 -2.438957 5.726740 
1 1 1   14   18  -14 o   73.817   4.2873  1593.76  180.690  1647.50  240.554  1524.19  273.714   75.298   5.5315   72.335   6.5518 2.963203 8.574614 
1 1 1   14   19  -14 o  195.183   1.5835 10979.41  175.860 11204.56  274.526 10822.72  229.020  196.858   2.4146  193.508   2.0492 3.350296 3.166955 
1 1 1   14   20  -14 o  138.247   2.4538  5550.00  178.104  5494.47  328.831  5573.06  211.872  137.680   4.1354  138.815   2.6427 -1.134903 4.907691 
1 1 1   14   21  -14 o   98.178   3.4178  2790.98  193.795  2790.98  193.795   0.0000   0.0000   98.178   3.4178  ?   ?       ?      ? 
1 1 1   14   22  -14 o   20.500   6.4004 -114.4050  144.500 -208.7467  178.453   65.244  246.255   15.666   7.4170   25.333   10.433 -9.666344 12.80074 
1 1 1   14   23  -14 f  101.382   2.7136  2992.84  157.741  3104.61  213.114  2857.42  234.587  103.512   3.5648   99.253   4.0924 4.259651 5.427276 
1 1 1   14   24  -14 o   96.266   4.6830  2693.12  260.363   0.0000   0.0000  2693.12  260.363  ?   ?    96.266   4.6830      ?      ? 
1 1 1   14   25  -14 f   15.838   7.5022 -213.5955  183.052   0.0000   0.0000 -213.5955  183.052  ?   ?    15.838   7.5022      ?      ? 
1 1 1   14   26  -14 o   89.669   4.2247  2336.74  218.787   0.0000   0.0000  2336.74  218.787  ?   ?    89.669   4.2247      ?      ? 
1 1 1   14   27  -14 o  173.598   2.4815  8712.50  231.984  8839.15  411.760  8653.61  280.790  174.365   4.0888  172.832   2.8130 1.532501 4.963027 
1 1 1   14   28  -14 o   75.266   5.0234  1655.17  218.365   0.0000   0.0000  1655.17  218.365  ?   ?    75.266   5.0234      ?      ? 
1 1 1   14   29  -14 o   25.090   7.8040 -13.9675  203.892 -237.0858  406.332   61.117  235.716   25.798   11.866   24.383   10.139 1.415127 15.60804 
1 1 1   14   30  -14 o   51.016   7.2133  758.885  156.511  907.026  396.703  731.576  170.327   52.258   13.154   49.775   5.9250 2.483139 14.42650 
1 1 1   14   31  -14 o   49.917   7.4531  892.159  169.628  616.641  385.952  958.122  188.845   42.943   13.754   56.891   5.7475 -13.94781 14.90626 
1 1 1   14   32  -14 o   28.598   8.4170  132.722  227.587   41.855  375.847  185.329  285.977   28.357   12.323   28.839   11.468 -0.4821167 16.83403 
1 1 1   14   33  -14 o   50.109   5.6308  829.886  144.159  920.803  177.935  656.214  245.927   55.543   5.5468   44.675   9.8007 10.86766 11.26151 
1 1 1   14   34  -14 o   45.030   8.8241  719.096  248.019  1010.70  363.241  464.417  339.468   53.535   12.040   36.525   12.903 17.00963 17.64819 
1 1 1   14   35  -14 o   36.170   9.6647  447.430  205.744   0.0000   0.0000  447.430  205.744  ?   ?    36.170   9.6647      ?      ? 
1 1 1   14   36  -14 o   66.675   5.8033  1414.15  216.793  1531.11  356.481  1345.50  273.100   68.044   9.0712   65.306   7.2407 2.737823 11.60666 
1 1 1   14   37  -14 o   24.480   7.2730   58.216  162.617  308.039  301.321 -44.4458  193.161   30.309   11.859   18.651   8.4237 11.65844 14.54604 
1 1 1   14   38  -14 o   21.220   6.4169   58.956  141.252 -242.8869  300.333  144.686  160.059   19.758   9.4296   22.682   8.7057 -2.924692 12.83381 
1 1 1   14   39  -14 o   27.139   7.4878  229.551  156.080  281.093  300.473  210.505  182.656   28.874   11.661   25.404   9.3965 3.470116 14.97558 
1 1 1   14   40  -14 o   16.532   7.7380 -112.1421  184.652   0.0000   0.0000 -112.1421  184.652  ?   ?    16.532   7.7380      ?      ? 
1 1 1   14   41  -14 o   15.539   5.3655 -241.6541  121.021 -38.5112  245.151 -307.1127  139.160   20.007   9.2080   11.071   5.5107 8.936059 10.73105 
1 1 1   14    0  -15 f  202.776   1.8301 11936.66  194.970 12009.36  232.214 11762.98  358.939  203.870   1.9726  201.681   3.0832 -0.000000 0.000000 
1 1 1   14    1  -15 o   91.697   3.4612  2407.92  181.227  2627.16  282.571  2254.72  236.205   95.182   5.1403   88.212   4.6364 6.969971 6.922312 
1 1 1   14    2  -15 f  111.720   2.0805  3624.45  132.730  3718.04  176.312  3502.04  201.644  113.404   2.6920  110.035   3.1730 3.368324 4.161060 
1 1 1   14    3  -15 o   66.520   2.9692  1278.29  113.893  1336.47  166.898  1227.58  155.811   67.931   4.2540   65.110   4.1435 2.821404 5.938447 
1 1 1   14    4  -15 o  178.561   1.5868  9206.14  156.874  9184.51  195.642  9245.11  262.536  178.288   1.9000  178.833   2.5419 -0.5454865 3.173509 
1 1 1   14    5  -15 o   53.170   4.5786  818.711  140.165  863.443  208.377  781.746  189.423   54.483   6.6222   51.858   6.3246 2.625065 9.157198 
1 1 1   14    6  -15 o  153.797   2.1904  6915.66  162.664  6977.95  185.298  6706.40  339.635  155.392   2.0647  152.201   3.8637 3.191010 4.380808 
1 1 1   14    7  -15 f  186.511   1.6389 10065.38  167.630 10089.06  206.969 10020.22  285.800  186.857   1.9178  186.164   2.6582 0.6930389 3.277786 
1 1 1   14    8  -15 o  167.643   1.7522  8120.06  169.273  8059.19  231.348  8190.19  248.331  166.973   2.3990  168.314   2.5546 -1.340164 3.504478 
1 1 1   14    9  -15 o  137.162   2.3528  5497.72  180.885  5682.12  231.743  5210.22  289.367  140.171   2.8626  134.154   3.7347 6.016251 4.705621 
1 1 1   14   10  -15 o  235.640   1.8056 16044.10  245.729 16044.10  245.729   0.0000   0.0000  235.640   1.8056  ?   ?       ?      ? 
1 1 1   14   11  -15 o   56.395   4.4186  913.769  140.982  871.611  180.183  980.325  226.394   54.773   5.6959   58.017   6.7566 -3.243992 8.837128 
1 1 1   14   12  -15 o   35.685   7.9973  292.787  157.759  224.947  176.692  559.432  350.300   28.289   9.3241   43.081   12.996 -14.79128 15.99456 
1 1 1   14   13  -15 f   78.992   2.8723  1789.29  124.724  1866.96  213.929  1749.29  153.514   80.241   4.6163   77.743   3.4190 2.497429 5.744532 
1 1 1   14   14  -15 o  113.552   3.1021  3730.45  203.436   0.0000   0.0000  3730.45  203.436  ?   ?   113.552   3.1021      ?      ? 
1 1 1   14   15  -15 o   75.026   3.9186  1649.69  155.814  1598.82  281.345  1672.20  187.133   74.092   6.5748   75.960   4.2656 -1.867958 7.837268 
1 1 1   14   16  -15 f   85.889   2.9542  2144.84  140.288  2162.76  175.156  2112.78  234.300   86.435   3.5087   85.342   4.7536 1.092628 5.908306 
1 1 1   14   17  -15 f  189.277   1.8195 10361.07  198.874 10469.22  279.757 10250.58  282.767  190.278   2.5457  188.276   2.6005 2.002808 3.639084 
1 1 1   14   18  -15 o   35.504   7.3939  378.678  153.865  391.104  183.312  349.051  283.063   35.806   8.9023   35.202   11.808 0.6043015 14.78789 
1 1 1   14   19  -15 o  113.383   2.1139  3718.34  135.982  3727.44  213.398  3712.13  176.443  113.479   3.2560  113.288   2.6967 0.1913300 4.227781 
1 1 1   14   20  -15 o  122.236   2.6301  4319.23  182.225  4377.71  287.556  4279.98  235.562  122.889   4.0516  121.582   3.3547 1.306175 5.260139 
1 1 1   14   21  -15 o   15.092   7.5663 -795.3688  143.826 -807.7830  283.945 -791.0845  166.809   15.092   7.5663  ?   ?       ?      ? 
1 1 1   14   22  -15 o   66.505   5.3179  1272.36  195.960  1214.24  242.399  1382.00  332.921   64.479   6.5092   68.532   8.4113 -4.052399 10.63577 
1 1 1   14   23  -15 o   44.554   5.8600  577.810  141.050  506.396  175.776  706.950  236.373   40.879   7.7283   48.228   8.8109 -7.348713 11.71997 
1 1 1   14   24  -15 o   53.730   5.8296  879.811  168.985  800.967  273.259  928.634  215.033   51.146   9.6034   56.315   6.6115 -5.168629 11.65922 
1 1 1   14   25  -15 o  135.134   2.4583  5304.12  190.735  5218.79  284.346  5373.93  257.175  134.111   3.6711  136.157   3.2704 -2.046051 4.916566 
1 1 1   14   26  -15 o   59.064   6.5856  1082.24  212.166  1198.97  279.189  922.690  326.410   63.702   7.5886   54.426   10.766 9.276459 13.17130 
1 1 1   14   27  -15 o   84.332   3.3485  2064.30  163.091   0.0000   0.0000  2064.30  163.091  ?   ?    84.332   3.3485      ?      ? 
1 1 1   14   28  -15 f   71.375   5.9215  1510.40  242.168  1650.42  371.742  1407.18  319.188   74.122   8.6838   68.628   8.0530 5.493393 11.84309 
1 1 1   14   29  -15 o   94.580   2.4545  2652.53  127.136  2772.14  158.668  2438.00  212.497   97.737   2.8109   91.423   4.0245 6.314774 4.908948 
1 1 1   14   30  -15 o   84.861   2.6586  2097.13  129.280  2069.15  171.868  2133.60  196.197   84.262   3.5317   85.461   3.9750 -1.198639 5.317276 
1 1 1   14   31  -15 o   36.039   6.3611  402.341  124.141  381.207  148.568  451.234  225.973   34.853   7.5954   37.225   10.206 -2.372093 12.72210 
1 1 1   14   32  -15 o   59.577   6.7454  1073.70  232.100  1073.70  232.100   0.0000   0.0000   59.577   6.7454  ?   ?       ?      ? 
1 1 1   14   33  -15 o   35.181   6.2098  405.312  122.545  407.436  153.219  401.542  204.150   35.686   7.6630   34.677   9.7736 1.009121 12.41951 
1 1 1   14   34  -15 o   23.623   6.1275  157.475   98.545  167.428  111.126  120.832  213.222   23.172   7.3757   24.073   9.7869 -0.9015255 12.25499 
1 1 1   14   35  -15 o  ?   ?  -721.1928  182.459   0.0000   0.0000 -721.1928  182.459  ?   ?   ?   ?       ?      ? 
1 1 1   14   36  -15 o   15.293   5.4600 -695.6148  199.472 -866.1985  363.729 -622.2450  238.543   16.921   8.4943   13.665   6.8625 3.255939 10.92005 
1 1 1   14   37  -15 o   37.129   8.5905  486.720  200.120  741.875  362.253  374.649  240.080   42.259   13.302   31.999   10.874 10.25960 17.18110 
1 1 1   14   38  -15 o   12.316   6.1682 -464.8443  186.483   0.0000   0.0000 -464.8443  186.483  ?   ?    12.316   6.1682      ?      ? 
1 1 1   14   39  -15 o   60.456   6.8302  1307.31  222.290  1269.55  361.528  1330.26  281.866   57.534   11.283   63.377   7.7006 -5.842911 13.66049 
1 1 1   14   40  -15 o   64.497   4.6231  1273.04  172.212   0.0000   0.0000  1273.04  172.212  ?   ?    64.497   4.6231      ?      ? 
1 1 1   14    0  -16 o  144.796   2.9693  6075.98  247.770  5883.14  346.471  6277.81  354.465  142.437   4.2201  147.155   4.1784 -0.000000 0.000000 
1 1 1   14    1  -16 o  138.899   1.9047  5544.50  146.792  5458.93  182.996  5698.95  245.839  137.428   2.3056  140.369   3.0324 -2.941360 3.809391 
1 1 1   14    2  -16 o  150.311   2.6321  6590.91  204.804  6656.14  241.725  6424.95  385.564  151.721   2.7586  148.900   4.4835 2.820465 5.264184 
1 1 1   14    3  -16 o   32.550   8.1473  236.089  185.760  146.369  228.043  413.037  320.252   27.044   10.389   38.056   12.553 -11.01129 16.29452 
1 1 1   14    4  -16 o   98.661   2.2583  2819.43  127.595  2788.86  192.849  2843.24  170.167   98.173   3.4013   99.149   2.9717 -0.9765396 4.516579 
1 1 1   14    5  -16 o  117.855   2.3262  3993.96  157.553  4259.91  237.445  3784.77  210.592  121.332   3.3885  114.379   3.1879 6.952957 4.652388 
1 1 1   14    6  -16 o   65.725   4.6139  1403.71  133.671  1032.07  291.237  1502.89  150.454   59.395   8.4901   72.056   3.6153 -12.66121 9.227822 
1 1 1   14    7  -16 o  120.133   2.5099  4082.62  155.833  4389.24  301.262  3970.61  182.085  123.083   4.2380  117.182   2.6905 5.901077 5.019876 
1 1 1   14    8  -16 o  140.637   2.1294  5721.42  172.903  5727.40  241.562  5715.14  247.592  140.716   2.9724  140.559   3.0500 0.1568756 4.258771 
1 1 1   14    9  -16 o  143.513   1.9177  5944.83  152.702  5916.39  190.840  5995.46  254.591  143.064   2.3097  143.962   3.0620 -0.8975983 3.835455 
1 1 1   14   10  -16 o  141.956   2.0317  5904.92  155.956  6053.93  191.020  5607.05  270.085  144.718   2.2854  139.193   3.3597 5.524689 4.063323 
1 1 1   14   11  -16 o   71.526   3.8563  1457.29  157.679  1771.36  241.940  1225.40  207.896   78.103   5.3636   64.948   5.5423 13.15424 7.712682 
1 1 1   14   12  -16 o   20.403   6.9448 -507.4498  241.792 -559.1102  343.084 -456.4701  340.817   19.911   9.6473   20.895   9.9924 -0.9837132 13.88953 
1 1 1   14   13  -16 o  148.447   2.4374  6476.10  176.488  6195.84  361.913  6563.54  202.154  146.213   4.2858  150.682   2.3229 -4.468719 4.874860 
1 1 1   14   14  -16 o  128.626   2.1872  4787.19  162.468  4749.29  230.750  4824.46  228.791  128.119   3.1185  129.133   3.0677 -1.014038 4.374438 
1 1 1   14   15  -16 o   73.691   2.7904  1584.99  117.085  1652.48  155.156  1495.72  178.441   75.549   3.5559   71.834   4.3011 3.715584 5.580702 
1 1 1   14   16  -16 o  170.726   2.7772  8443.80  273.825  8523.76  388.714  8365.03  385.798  171.529   3.9238  169.923   3.9312 1.605682 5.554308 
1 1 1   14   17  -16 o   54.605   5.2971  808.060  159.663  1102.22  281.255  668.190  193.942   61.363   7.9361   47.848   7.0182 13.51526 10.59421 
1 1 1   14   18  -16 o   68.033   5.5257  1341.06  214.614  1268.02  279.894  1445.27  334.329   65.862   7.3583   70.205   8.2455 -4.343834 11.05138 
1 1 1   14   19  -16 o   65.477   3.9242  1215.48  146.089  1431.30  233.041  1075.75  187.506   70.125   5.7540   60.828   5.3374 9.297424 7.848333 
1 1 1   14   20  -16 o   83.380   3.7561  1972.31  157.247  1923.34  180.928  2123.49  317.918   81.458   3.8458   85.302   6.4531 -3.843796 7.512183 
1 1 1   14   21  -16 o   60.294   4.6108  1025.24  152.559  1179.14  267.742  951.250  185.644   63.440   7.3075   57.148   5.6246 6.291756 9.221502 
1 1 1   14   22  -16 o   46.834   6.0513  668.878  157.822  750.099  213.910  571.846  233.803   50.566   7.3246   43.102   9.6344 7.463951 12.10254 
1 1 1   14   23  -16 o   64.370   5.2055  1243.99  188.223  1078.38  290.073  1364.43  247.373   60.436   8.3105   68.304   6.2708 -7.868061 10.41094 
1 1 1   14   24  -16 o   54.717   6.7741  1049.54  170.229  1182.36  197.134  660.152  337.543   63.659   5.3618   45.774   12.442 17.88502 13.54812 
1 1 1   14   25  -16 o   59.683   6.6348  1124.33  198.598  976.393  360.721  1188.67  237.899   55.743   11.583   63.622   6.4744 -7.879116 13.26953 
1 1 1   14   26  -16 o  207.567   1.7182 12466.60  203.138 12423.49  265.905 12527.02  314.809  207.182   2.2222  207.951   2.6212 -0.7694092 3.436425 
1 1 1   14   27  -16 o   97.425   3.4972  2699.96  153.695  2901.41  359.876  2655.02  169.976   99.203   6.2812   95.646   3.0770 3.557251 6.994372 
1 1 1   14   28  -16 f   61.914   4.6879  1138.79  166.429  1120.92  249.531  1153.11  223.369   61.372   7.0400   62.457   6.1924 -1.085167 9.375882 
1 1 1   14   29  -16 o   22.446   6.4898   79.570  125.891  -4.8871  242.510  110.726  147.292   22.847   9.9141   22.045   8.3773 0.8023949 12.97958 
1 1 1   14   30  -16 o   97.166   3.1227  2776.14  171.483  2749.60  271.195  2793.82  221.353   96.611   4.8604   97.722   3.9220 -1.110825 6.245425 
1 1 1   14   31  -16 o   13.671   4.8408 -619.9935  161.973 -797.9145  233.308 -454.4511  225.046   12.536   6.3537   14.806   7.3051 -2.270370 9.681632 
1 1 1   14   32  -16 o   23.339   7.0655   54.597  155.574   58.372  182.919   44.725  295.789   21.366   8.9119   25.312   10.966 -3.946339 14.13097 
1 1 1   14   33  -16 o   82.292   4.1428  2046.68  185.797  2065.39  320.294  2037.19  228.095   81.930   6.7689   82.654   4.7782 -0.7233200 8.285505 
1 1 1   14   34  -16 o   58.824   5.6168  1051.19  190.822   0.0000   0.0000  1051.19  190.822  ?   ?    58.824   5.6168      ?      ? 
1 1 1   14   35  -16 o   9.2973   3.3516 -306.7332   73.617 -272.1819   84.556 -414.9508  149.645   7.7879   3.9330   10.807   5.4282 -3.018795 6.703260 
1 1 1   14   36  -16 o   49.968   6.5978  892.839  138.553  788.525  327.924  915.508  152.868   44.902   12.288   55.035   4.8094 -10.13325 13.19550 
1 1 1   14   37  -16 o   76.702   4.5567  1810.03  187.742  1737.06  225.890  1973.03  337.611   75.379   5.1887   78.025   7.4920 -2.646210 9.113305 
1 1 1   14   38  -16 o   52.243   6.4990  1031.05  163.914  765.046  303.515  1140.58  194.758   43.844   11.749   60.643   5.5607 -16.79884 12.99809 
1 1 1   14   39  -16 o   40.381   7.2758  682.980  170.375  467.493  343.509  753.285  196.210   32.812   12.710   47.950   7.0851 -15.13788 14.55159 
1 1 1   14   40  -16 o   42.751   7.2921  571.346  130.363  969.233  370.611  515.165  139.263   45.424   13.285   40.078   6.0164 5.345131 14.58417 
1 1 1   14    0  -17 o   11.410   5.8912 -685.4809  214.424 -817.4130  285.492 -514.7432  324.776   9.8468   7.2419   12.973   9.2941 -0.000000 0.000000 
1 1 1   14    1  -17 o   99.952   2.1280  2889.61  122.747  2895.22  177.200  2884.44  170.193  100.042   3.0669   99.862   2.9509 0.1798553 4.256000 
1 1 1   14    2  -17 o   65.196   3.2337  1227.94  121.470  1292.55  179.487  1173.34  164.996   66.768   4.6545   63.624   4.4902 3.144695 6.467367 
1 1 1   14    3  -17 o  189.145   2.0555 10339.24  224.546 10339.24  224.546   0.0000   0.0000  189.145   2.0555  ?   ?       ?      ? 
1 1 1   14    4  -17 o   15.842   5.3583 -234.0838  128.130 -227.1488  156.426 -248.2247  223.368   13.951   6.6974   17.734   8.3659 -3.782994 10.71650 
1 1 1   14    5  -17 o   84.178   2.8008  2052.98  136.018  2067.23  188.403  2037.46  196.575   84.490   3.8610   83.867   4.0584 0.6229782 5.601583 
1 1 1   14    6  -17 o  181.458   2.1124  9411.21  207.580  9205.80  251.595  9849.16  367.369  178.445   2.4412  184.471   3.4482 -6.025650 4.224870 
1 1 1   14    7  -17 o   20.524   6.3333 -28.8507  136.577 -11.1162  169.459 -61.7246  230.717   19.463   8.3659   21.585   9.5107 -2.122726 12.66653 
1 1 1   14    8  -17 o   38.782   7.2833  448.098  163.222  401.172  209.517  520.548  260.333   36.321   9.7733   41.243   10.801 -4.922363 14.56655 
1 1 1   14    9  -17 o   32.577   6.5705  308.277  128.677  251.565  166.793  391.657  202.241   29.271   8.9958   35.883   9.5793 -6.612850 13.14101 
1 1 1   14   10  -17 o  232.622   2.1503 15746.13  273.009 15939.34  336.259 15372.41  467.648  234.798   2.4797  230.445   3.5137 4.353714 4.300580 
1 1 1   14   11  -17 o  120.606   2.4938  4216.03  172.659  4161.58  257.893  4260.25  232.440  119.882   3.7248  121.330   3.3171 -1.447296 4.987691 
1 1 1   14   12  -17 o  108.402   3.5796  3345.36  212.036  3611.32  371.009  3216.35  258.393  111.458   5.7635  105.346   4.2469 6.112000 7.159223 
1 1 1   14   13  -17 o  156.456   2.5419  7128.02  209.111  6988.63  384.135  7186.73  249.285  155.276   4.2834  157.636   2.7381 -2.359619 5.083828 
1 1 1   14   14  -17 o  126.221   2.2950  4681.68  159.154  4373.39  265.642  4854.32  198.781  122.884   3.7430  129.559   2.6566 -6.674332 4.589900 
1 1 1   14   15  -17 o   21.129   6.6290 -72.5282  159.876 -90.7487  244.560 -58.9303  211.272   21.662   9.6542   20.597   9.0869 1.064381 13.25805 
1 1 1   14   16  -17 o   95.785   3.1491  2660.70  145.175  2661.95  306.739  2660.34  164.801   95.682   5.5508   95.887   2.9759 -0.2049789 6.298150 
1 1 1   14   17  -17 o   87.390   3.1038  2216.35  156.553  2178.96  224.308  2251.86  218.601   86.662   4.4816   88.117   4.2954 -1.454521 6.207675 
1 1 1   14   18  -17 o   55.366   5.7211  899.619  181.367  898.245  274.842  900.679  241.387   55.270   8.6100   55.462   7.5359 -0.1912193 11.44215 
1 1 1   14   19  -17 o   63.914   3.2444  1173.80  117.601  1249.60  187.194  1124.38  151.153   65.573   4.9429   62.255   4.2039 3.317413 6.488858 
1 1 1   14   20  -17 o  131.935   3.3791  5042.75  257.485   0.0000   0.0000  5042.75  257.485  ?   ?   131.935   3.3791      ?      ? 
1 1 1   14   21  -17 o   97.958   2.9784  2720.56  161.948  3018.71  275.300  2562.79  200.264  101.905   4.6776   94.012   3.6884 7.892776 5.956880 
1 1 1   14   22  -17 o   52.432   7.1268  966.607  175.181  1084.33  201.330  599.668  355.451   60.947   5.7196   43.916   13.056 17.03171 14.25357 
1 1 1   14   23  -17 o   81.788   4.8195  2025.87  154.560  1880.11  413.628  2049.53  166.630   79.512   9.0072   84.064   3.4321 -4.551842 9.638922 
1 1 1   14   24  -17 o   93.743   3.2029  2548.35  173.409  2548.35  173.409   0.0000   0.0000   93.743   3.2029  ?   ?       ?      ? 
1 1 1   14   25  -17 o  171.605   2.4795  8600.85  234.161  8715.56  291.160  8390.78  394.003  173.387   2.9076  169.824   4.0171 3.563568 4.958955 
1 1 1   14   26  -17 o  100.490   2.7468  2939.99  159.352  2953.17  222.458  2926.10  228.373  100.734   3.8237  100.246   3.9445 0.4876709 5.493649 
1 1 1   14   27  -17 o   67.075   3.9904  1333.60  152.488  1385.68  202.289  1265.06  232.066   68.721   5.0968   65.429   6.1413 3.292595 7.980765 
1 1 1   14   28  -17 o   23.062   6.6393   34.192  132.010  202.915  240.217 -38.8088  158.009   28.419   10.723   17.706   7.8325 10.71284 13.27866 
1 1 1   14   29  -17 f  117.532   2.2355  3978.54  143.469  4158.14  249.522  3889.83  175.354  119.338   3.6203  115.725   2.6236 3.613045 4.471012 
1 1 1   14   30  -17 o   64.745   4.4130  1117.94  133.798  1513.55  312.360  1029.05  148.070   70.348   7.6880   59.142   4.3349 11.20615 8.825945 
1 1 1   14   31  -17 o   57.638   6.5490  1214.19  149.023  847.620  350.288  1295.20  164.667   49.030   12.371   66.246   4.3039 -17.21572 13.09793 
1 1 1   14   32  -17 o   70.502   5.2639  1549.71  213.558  1412.14  302.621  1686.19  301.415   67.126   7.8060   73.878   7.0642 -6.752197 10.52789 
1 1 1   14   33  -17 o   75.561   4.3664  1771.10  182.382  1832.41  230.142  1667.58  299.034   78.033   5.1066   73.089   7.0841 4.944656 8.732814 
1 1 1   14   34  -17 o   62.805   3.5672  1139.18  117.003  1318.87  224.858  1072.46  137.012   65.513   5.9428   60.097   3.9475 5.416084 7.134396 
1 1 1   14   35  -17 o   11.633   4.1693 -269.4553   84.420 -268.5340   94.052 -273.2744  191.494   8.5627   4.3013   14.704   7.1435 -6.140799 8.338559 
1 1 1   14   36  -17 o   71.493   3.9803  1525.92  164.348   0.0000   0.0000  1525.92  164.348  ?   ?    71.493   3.9803      ?      ? 
1 1 1   14   37  -17 o   27.890   7.1018  260.112  150.918  378.499  219.513  153.994  207.827   31.844   10.388   23.936   9.6869 7.908106 14.20361 
1 1 1   14   38  -17 o   48.080   5.6579  796.320  149.671  672.709  222.034  899.268  202.628   43.295   9.1652   52.865   6.6366 -9.569813 11.31574 
1 1 1   14   39  -17 o   89.587   3.9648  2515.30  201.096  2448.88  259.030  2616.07  319.042   88.823   5.0494   90.350   6.1141 -1.526665 7.929616 
1 1 1   14    0  -18 o  106.916   3.8304  3318.30  235.833  3318.30  235.833   0.0000   0.0000  106.916   3.8304  106.916   3.8304 -0.000000 0.000000 
1 1 1   14    1  -18 o   87.921   2.8544  2247.09  144.064  2319.84  195.229  2160.11  213.464   89.506   3.7767   86.336   4.2810 3.170441 5.708807 
1 1 1   14    2  -18 o  157.604   2.4925  6970.61  175.664  6848.03  193.619  7541.08  417.692  153.924   2.1780  161.285   4.4841 -7.361176 4.985083 
1 1 1   14    3  -18 o  101.502   3.3205  3022.38  177.557  3074.07  212.477  2902.73  323.267  103.049   3.5701   99.955   5.5998 3.093216 6.641036 
1 1 1   14    4  -18 o  175.029   2.6722  8869.55  269.856  8833.83  373.030  8908.78  390.862  174.670   3.6978  175.388   3.8587 -0.7186432 5.344425 
1 1 1   14    5  -18 o   89.338   3.0599  2295.84  138.602  2277.16  160.896  2349.61  272.915   88.716   3.1402   89.960   5.2528 -1.244659 6.119890 
1 1 1   14    6  -18 o  106.286   2.7450  3210.96  159.864  3086.97  195.367  3462.23  278.110  103.284   3.2752  109.288   4.4061 -6.004700 5.490064 
1 1 1   14    7  -18 o  259.872   2.4226 19546.04  363.562 19607.16  518.619 19486.97  509.804  260.268   3.4502  259.477   3.4019 0.7904968 4.845262 
1 1 1   14    8  -18 f  116.832   3.1765  3876.68  161.754  4081.79  394.644  3835.26  177.333  118.500   5.7664  115.163   2.6662 3.337097 6.352905 
1 1 1   14    9  -18 o  115.706   2.1045  3876.34  140.496  4049.08  197.867  3700.68  199.527  118.314   2.8957  113.099   3.0546 5.215279 4.209006 
1 1 1   14   10  -18 o  122.139   2.6256  4278.48  173.575  4203.25  210.497  4438.30  306.822  120.535   3.0238  123.743   4.2932 -3.207977 5.251164 
1 1 1   14   11  -18 f  158.202   2.6763  7295.44  214.892  7150.20  417.939  7347.64  250.548  157.012   4.6089  159.391   2.7217 -2.379517 5.352505 
1 1 1   14   12  -18 o   69.341   5.6928  1397.93  227.984   0.0000   0.0000  1397.93  227.984  ?   ?    69.341   5.6928      ?      ? 
1 1 1   14   13  -18 o  152.315   2.6941  6839.06  188.316  6525.05  419.506  6918.31  210.743  149.939   4.8444  154.690   2.3589 -4.750229 5.388158 
1 1 1   14   14  -18 o  164.013   2.2120  7776.55  209.527  7776.55  209.527   0.0000   0.0000  164.013   2.2120  ?   ?       ?      ? 
1 1 1   14   15  -18 o  166.813   1.8415  8063.96  173.552  8125.43  223.821  7971.26  274.842  167.639   2.3117  165.986   2.8670 1.653244 3.682905 
1 1 1   14   16  -18 o   11.612   5.8679 -637.1416  189.865 -637.1416  189.865   0.0000   0.0000   11.612   5.8679  ?   ?       ?      ? 
1 1 1   14   17  -18 o   73.470   3.4179  1505.20  142.059  1242.25  180.608  1931.84  230.053   65.397   4.7818   81.543   4.8849 -16.14559 6.835804 
1 1 1   14   18  -18 o  169.270   2.1601  8284.56  211.171  8284.56  211.171   0.0000   0.0000  169.270   2.1601  ?   ?       ?      ? 
1 1 1   14   19  -18 o  103.124   3.1169  3025.36  181.235  3372.24  295.957  2817.24  229.246  107.709   4.7576   98.539   4.0282 9.169960 6.233889 
1 1 1   14   20  -18 o   97.973   3.6358  2825.72  195.414  2693.76  328.851  2897.75  242.963   96.052   5.9280   99.894   4.2113 -3.842026 7.271566 
1 1 1   14   21  -18 o   89.326   3.9335  2444.59  183.434  2631.92  222.096  2042.55  325.363   95.201   4.0394   83.450   6.7508 11.75082 7.867014 
1 1 1   14   22  -18 o   69.546   3.1971  1402.03  128.132  1325.26  174.283  1492.34  189.024   67.489   4.4714   71.604   4.5708 -4.115875 6.394165 
1 1 1   14   23  -18 o   57.152   4.4140  880.622  138.470  722.060  166.988  1229.64  247.746   49.649   5.8236   64.654   6.6347 -15.00534 8.828006 
1 1 1   14   24  -18 o   57.062   6.0893  894.301  190.849  730.613  230.342  1252.73  340.853   49.538   8.0510   64.587   9.1377 -15.04970 12.17850 
1 1 1   14   25  -18 o   50.291   6.2328  784.904  168.920  817.371  212.970  729.834  277.367   52.498   7.0241   48.083   10.298 4.415211 12.46570 
1 1 1   14   26  -18 o   35.237   6.4366  381.039  129.843  336.995  166.598  449.189  207.236   32.804   8.6645   37.671   9.5207 -4.867783 12.87314 
1 1 1   14   27  -18 f   69.450   3.5033  1417.41  140.486  1460.66  200.342  1375.58  197.054   70.500   4.9204   68.399   4.9882 2.100456 7.006614 
1 1 1   14   28  -18 o   47.502   4.7840  677.226  127.644  675.659  205.371  678.212  162.939   47.245   7.5265   47.758   5.9073 -0.5128784 9.567914 
1 1 1   14   29  -18 o   41.629   6.1992  527.468  140.975  694.073  233.839  432.340  176.697   46.529   9.0275   36.729   8.4983 9.799400 12.39831 
1 1 1   14   30  -18 o   38.420   6.4854  451.991  140.307  662.656  231.801  330.181  176.263   45.047   9.2202   31.793   9.1231 13.25450 12.97084 
1 1 1   14   31  -18 o   23.174   6.7465   42.327  154.702  225.681  228.205 -113.5836  210.435   27.851   10.463   18.497   8.5198 9.353876 13.49296 
1 1 1   14   32  -18 o   32.060   10.077  352.403  207.960   0.0000   0.0000  352.403  207.960  ?   ?    32.060   10.077      ?      ? 
1 1 1   14   33  -18 o   14.104   4.7852 -131.6623   97.267 -73.5449  108.408 -371.6051  220.273   13.127   6.0706   15.082   7.3986 -1.954906 9.570305 
1 1 1   14   34  -18 o   61.400   3.8096  1176.95  121.618  1217.24  145.470  1083.42  221.659   63.958   3.9382   58.842   6.5225 5.115364 7.619161 
1 1 1   14   35  -18 o   52.566   3.3762  790.305   98.169  686.961  119.796  1001.58  171.287   47.835   4.3362   57.297   5.1762 -9.461952 6.752456 
1 1 1   14   36  -18 o   47.848   6.1112  717.725  168.879   0.0000   0.0000  717.725  168.879  ?   ?    47.848   6.1112      ?      ? 
1 1 1   14   37  -18 o   49.180   6.3271  890.549  137.203  757.373  299.161  926.022  154.398   43.354   11.684   55.005   4.8602 -11.65166 12.65429 
1 1 1   14   38  -18 o   17.967   5.9913 -84.5067  144.610 -411.2963  337.196 -10.8577  160.078   18.592   9.1273   17.342   7.7638 1.250654 11.98265 
1 1 1   14    0  -19 o   42.037   8.6712  634.178  192.294  412.688  260.223  900.619  285.409   31.326   13.756   52.749   10.560 -0.000000 0.000000 
1 1 1   14    1  -19 o   17.928   6.0112 -295.6106  166.258 -373.4057  224.648 -201.3967  247.219   16.075   7.7932   19.780   9.1545 -3.705029 12.02244 
1 1 1   14    2  -19 o   57.139   5.4468  1023.50  148.027  1083.58  172.589  856.330  287.888   61.112   4.8900   53.166   9.7344 7.945240 10.89357 
1 1 1   14    3  -19 o   54.903   5.6271  880.058  177.992  862.667  242.372  900.416  262.235   54.335   7.7236   55.471   8.1855 -1.135937 11.25417 
1 1 1   14    4  -19 f  145.514   2.0406  6104.53  170.732  6329.58  255.604  5923.23  229.417  147.918   2.9920  143.109   2.7757 4.809021 4.081244 
1 1 1   14    5  -19 o   88.812   2.9413  2293.42  145.579  2255.76  238.642  2315.73  183.724   88.188   4.6854   89.436   3.5569 -1.247932 5.882560 
1 1 1   14    6  -19 o   68.227   3.9119  1351.85  153.783  1481.55  220.675  1229.39  214.423   71.421   5.3499   65.034   5.7088 6.387207 7.823804 
1 1 1   14    7  -19 o   18.503   6.3099 -435.6945  201.660 -441.6690  284.845 -429.6910  285.538   18.417   8.8910   18.589   8.9559 -0.1723804 12.61974 
1 1 1   14    8  -19 o  194.683   2.2707 11018.16  239.040 11112.06  291.485 10825.33  417.719  196.029   2.5746  193.337   3.7410 2.692978 4.541304 
1 1 1   14    9  -19 o  100.214   3.4588  2874.75  152.656  2853.23  167.963  2976.95  366.001   99.311   2.9284  101.116   6.2673 -1.804527 6.917660 
1 1 1   14   10  -19 o  ?   ?  -1112.6830  178.401 -1192.2670  238.240 -1011.0870  269.179  ?   ?   ?   ?       ?      ? 
1 1 1   14   11  -19 o   38.460   7.2512  449.280  163.251  422.373  218.553  483.241  245.539   37.199   9.9701   39.722   10.532 -2.522312 14.50248 
1 1 1   14   12  -19 o  216.669   2.2292 13558.48  265.778 13493.55  328.830 13680.81  451.361  215.995   2.6360  217.342   3.5958 -1.346619 4.458492 
1 1 1   14   13  -19 o   74.078   4.1490  1672.18  166.957  1344.30  271.548  1871.45  211.697   67.849   6.9298   80.307   4.5643 -12.45863 8.297909 
1 1 1   14   14  -19 o  113.205   3.4420  3712.64  198.470  3702.03  231.309  3742.24  386.428  113.052   3.5427  113.357   5.9025 -0.3053207 6.884007 
1 1 1   14   15  -19 o  165.218   1.9942  7898.99  190.256  7880.23  271.257  7917.15  266.920  165.022   2.8461  165.415   2.7940 -0.3924103 3.988317 
1 1 1   14   16  -19 o   85.082   2.8039  2095.81  137.395  2143.65  202.993  2055.37  186.645   85.965   4.0886   84.199   3.8382 1.766273 5.607876 
1 1 1   14   17  -19 o   55.549   6.4932  803.235  170.610  1172.22  382.464  711.569  190.628   61.773   11.130   49.324   6.6918 12.44916 12.98643 
1 1 1   14   18  -19 o  104.532   2.2699  3163.09  136.695  3134.12  186.453  3196.75  200.997  104.025   3.1035  105.038   3.3133 -1.012566 4.539745 
1 1 1   14   19  -19 o  110.495   2.3309  3555.08  142.084  3596.00  177.069  3481.10  238.093  111.452   2.7509  109.537   3.7636 1.914459 4.661720 
1 1 1   14   20  -19 o  121.414   2.3987  4275.74  167.989  4250.65  243.387  4298.57  232.156  121.060   3.4811  121.767   3.3011 -0.7072067 4.797430 
1 1 1   14   21  -19 o   64.084   6.6632  1414.42  197.298  1611.25  233.279  919.872  369.776   74.261   5.4391   53.907   12.166 20.35419 13.32635 
1 1 1   14   22  -19 o   40.195   7.1238  527.653  162.075  370.099  299.280  593.034  192.793   35.621   12.141   44.769   7.4565 -9.147495 14.24759 
1 1 1   14   23  -19 o   71.750   4.7742  1508.15  166.256  1497.70  189.277  1543.43  347.832   71.643   4.5745   71.857   8.3814 -0.2139587 9.548441 
1 1 1   14   24  -19 o   55.860   4.1118  933.219  129.815  1009.68  171.641  831.028  198.434   58.705   5.0625   53.016   6.4808 5.688805 8.223671 
1 1 1   14   25  -19 o   45.876   4.4041  630.485  113.246  657.227  145.675  589.639  180.036   47.270   5.3359   44.481   7.0081 2.789268 8.808272 
1 1 1   14   26  -19 o   49.976   5.0944  751.687  144.172  762.086  187.381  736.601  225.704   50.596   6.4124   49.357   7.9179 1.239666 10.18882 
1 1 1   14   27  -19 o   55.556   4.8504  944.997  152.312  1057.33  204.647  805.505  228.052   59.599   5.9454   51.513   7.6654 8.086376 9.700788 
1 1 1   14   28  -19 o   17.825   5.9700 -142.3739  136.241 -88.4205  151.781 -366.1313  309.097   15.966   7.3103   19.684   9.4406 -3.717860 11.94009 
1 1 1   14   29  -19 o   43.935   4.7227  570.732  117.970  686.923  188.130  495.439  151.444   47.454   6.8644   40.416   6.4881 7.038013 9.445386 
1 1 1   14   30  -19 o   76.252   2.8658  1718.98  125.493  1492.60  175.200  1957.51  179.838   70.997   4.2728   81.508   3.8203 -10.51169 5.731599 
1 1 1   14   31  -19 o   16.744   5.7088 -213.9925  145.854 -478.2065  306.549 -136.6776  165.826   17.921   8.7784   15.566   7.3009 2.355094 11.41765 
1 1 1   14   32  -19 o   49.039   5.8322  664.174  128.804  1021.71  308.442  588.656  141.756   54.137   10.240   43.941   5.5859 10.19669 11.66444 
1 1 1   14   33  -19 o   87.268   4.3740  2363.89  220.434  2375.72  310.314  2351.85  313.189   87.535   6.1381   87.001   6.2330 0.5337143 8.747953 
1 1 1   14   34  -19 o   60.873   3.5052  1118.63  122.664  981.219  167.290  1278.42  180.398   56.763   5.1029   64.982   4.8068 -8.218395 7.010340 
1 1 1   14   35  -19 o   17.978   7.7365   26.523  145.226   26.523  145.226   0.0000   0.0000   17.978   7.7365  ?   ?       ?      ? 
1 1 1   14   36  -19 o   63.854   5.2864  1253.40  157.874  1502.20  353.492  1191.41  176.450   65.317   9.3705   62.391   4.8968 2.926258 10.57288 
1 1 1   14   37  -19 o   17.633   6.0273 -104.6592  127.300 -209.3048  346.904 -88.3748  136.847   20.907   10.020   14.359   6.7013 6.548487 12.05469 
1 1 1   14   38  -19 o   53.588   4.4861  921.273  127.958  971.161  230.866  899.152  153.731   53.432   7.4813   53.744   4.9528 -0.3122139 8.972150 
1 1 1   14    0  -20 o  164.911   2.7391  7865.99  260.717  7865.99  260.717   0.0000   0.0000  164.911   2.7391  164.911   2.7391 -0.000000 0.000000 
1 1 1   14    1  -20 o   72.712   3.2609  1451.80  130.323  1288.16  157.970  1800.49  230.594   66.673   4.1024   78.752   5.0699 -12.07890 6.521827 
1 1 1   14    2  -20 o  103.174   2.7296  3072.95  153.017  3052.61  186.735  3114.52  266.965  102.709   3.1480  103.638   4.4602 -0.9287033 5.459179 
1 1 1   14    3  -20 f  136.045   2.7635  5376.87  179.430  5334.72  382.898  5388.73  203.111  135.579   4.8899  136.510   2.5762 -0.9306335 5.527077 
1 1 1   14    4  -20 o   95.153   2.6140  2583.18  141.542  2410.48  182.671  2842.66  223.905   91.248   3.4662   99.057   3.9138 -7.808540 5.228029 
1 1 1   14    5  -20 o  150.478   2.1741  6536.79  181.253  6605.66  303.318  6498.54  226.052  151.051   3.4769  149.905   2.6110 1.145935 4.348108 
1 1 1   14    6  -20 o   76.224   4.5170  1613.39  192.205  1405.99  237.609  2006.00  326.919   69.516   5.9183   82.932   6.8255 -13.41631 9.033998 
1 1 1   14    7  -20 o   20.128   6.8765 -390.5470  203.749 -453.2105  400.525 -368.6694  236.659   23.473   11.113   16.782   8.1026 6.690914 13.75296 
1 1 1   14    8  -20 o  122.155   2.1409  4362.50  134.755  4418.32  158.713  4218.30  255.069  123.627   2.2229  120.683   3.6595 2.944038 4.281756 
1 1 1   14    9  -20 o  156.060   1.7527  7043.72  157.928  6828.76  222.956  7260.19  223.733  153.667   2.5122  158.453   2.4448 -4.785843 3.505445 
1 1 1   14   10  -20 o  158.940   2.1622  7318.55  196.014  7261.35  301.296  7360.52  258.101  158.373   3.2940  159.507   2.8017 -1.133591 4.324374 
1 1 1   14   11  -20 o   26.355   7.0579  137.294  154.999 -12.3614  242.621  240.491  201.472   23.244   10.001   29.465   9.9616 -6.221294 14.11583 
1 1 1   14   12  -20 o   22.929   7.2472 -78.1657  185.723   10.134  216.443 -324.6987  361.661   22.510   9.5589   23.348   10.896 -0.8379421 14.49442 
1 1 1   14   13  -20 o  252.850   1.8086 18481.22  263.987 18864.86  380.733 18126.01  366.351  255.372   2.5814  250.329   2.5340 5.042923 3.617297 
1 1 1   14   14  -20 o  112.553   3.5059  3645.00  212.700  3579.22  256.993  3788.04  378.978  111.088   4.0056  114.019   5.7551 -2.930588 7.011842 
1 1 1   14   15  -20 o  176.520   2.3246  9068.89  200.946  9107.45  230.027  8944.66  412.884  177.462   2.2443  175.578   4.0717 1.884216 4.649252 
1 1 1   14   16  -20 o  146.872   2.3570  6239.81  199.936  6239.81  199.936   0.0000   0.0000  146.872   2.3570  ?   ?       ?      ? 
1 1 1   14   17  -20 o   56.766   4.7417  943.835  154.969  846.918  215.962  1046.71  222.502   53.731   6.9593   59.800   6.4424 -6.069313 9.483482 
1 1 1   14   18  -20 o   98.101   3.7767  2695.70  173.210  3000.72  390.370  2620.93  193.277  101.142   6.6828   95.061   3.5204 6.081764 7.553357 
1 1 1   14   19  -20 o  143.903   2.5716  6030.44  206.184  6088.01  260.134  5933.15  338.153  144.928   3.1078  142.878   4.0979 2.050613 5.143114 
1 1 1   14   20  -20 o   19.774   6.3927 -125.4402  157.908 -232.6883  272.797 -71.3969  193.649   20.372   9.4923   19.175   8.5651 1.197252 12.78533 
1 1 1   14   21  -20 o   28.138   7.4617  189.561  164.009  183.776  232.737  195.268  231.159   27.973   10.554   28.304   10.551 -0.3306580 14.92344 
1 1 1   14   22  -20 o   74.521   3.3750  1618.55  145.054  1529.99  199.068  1718.81  211.798   72.355   4.7637   76.687   4.7821 -4.331482 6.749909 
1 1 1   14   23  -20 o   28.695   7.7803  168.641  181.968   75.293  239.400  296.368  280.034   24.836   10.264   32.555   11.696 -7.718449 15.56059 
1 1 1   14   24  -20 o   51.615   8.0913  835.110  224.411  964.685  390.727  771.327  274.136   53.946   12.744   49.283   9.9736 4.662712 16.18252 
1 1 1   14   25  -20 o   79.641   4.0999  1855.72  188.580  1855.72  188.580   0.0000   0.0000   79.641   4.0999  ?   ?       ?      ? 
1 1 1   14   26  -20 f   29.841   8.1045  172.954  156.714  399.517  375.792  125.258  172.423   36.265   13.465   23.417   9.0233 12.84798 16.20905 
1 1 1   14   27  -20 o   15.692   5.2228 -148.2923  117.596 -100.8700  144.063 -242.9872  203.576   15.181   7.0126   16.204   7.7418 -1.022642 10.44570 
1 1 1   14   28  -20 o   26.460   7.1882  189.493  149.545 -12.1264  321.131  245.324  168.987   25.041   11.117   27.879   9.1152 -2.837677 14.37634 
1 1 1   14   29  -20 o   46.108   4.2100  624.281  109.362  739.167  180.219  557.316  137.592   49.210   6.3410   43.006   5.5397 6.204529 8.420024 
1 1 1   14   30  -20 o   16.732   5.3695 -72.3542  114.851 -153.4339  171.163  -5.9506  154.899   15.561   7.3355   17.904   7.8431 -2.342680 10.73891 
1 1 1   14   31  -20 o   14.648   5.0801 -316.6365  137.226 -324.2668  171.960 -303.2569  227.708   13.070   6.4363   16.226   7.8615 -3.156425 10.16017 
1 1 1   14   32  -20 o   43.584   6.0025  640.639  140.476  609.258  237.282  657.573  174.305   41.357   10.036   45.812   6.5879 -4.455345 12.00509 
1 1 1   14   33  -20 o   44.108   7.6440  725.607  189.006  742.963  236.367  694.830  314.749   46.329   9.1584   41.886   12.241 4.443302 15.28792 
1 1 1   14   34  -20 o   21.780   7.1905 -115.9284  223.273 -86.5793  315.700 -145.2984  315.812   22.187   10.295   21.373   10.041 0.8139248 14.38096 
1 1 1   14   35  -20 o   30.904   6.5921  391.903  138.406   76.479  312.766  468.711  154.340   24.439   10.903   37.370   7.4128 -12.93122 13.18424 
1 1 1   14   36  -20 o   23.686   6.8075  117.331  151.097  308.919  234.466 -18.7453  197.600   28.552   10.629   18.819   8.5080 9.732233 13.61490 
1 1 1   14   37  -20 o   61.537   4.4173  1224.72  155.219  1242.68  237.830  1211.40  204.865   61.421   6.7045   61.653   5.7534 -0.2324295 8.834690 
1 1 1   14    0  -21 o   31.798   10.551  409.696  205.572  357.801  248.529  522.120  365.800   28.883   13.427   34.713   16.279 -0.000000 0.000000 
1 1 1   14    1  -21 o   89.931   4.0853  2357.86  209.561  2385.15  276.440  2321.00  321.327   90.599   5.2831   89.264   6.2329 1.335541 8.170685 
1 1 1   14    2  -21 o   71.424   3.1031  1475.76  127.724  1534.07  188.197  1425.97  173.906   72.722   4.4809   70.126   4.2939 2.596146 6.206115 
1 1 1   14    3  -21 o   42.595   5.9854  537.407  131.264  555.285  246.850  530.358  154.993   42.526   10.185   42.665   6.2901 -0.1389236 11.97084 
1 1 1   14    4  -21 o   57.963   6.4593  833.452  179.847  1291.69  415.844  728.022  199.466   65.988   10.911   49.938   6.9160 16.04979 12.91860 
1 1 1   14    5  -21 o   82.840   2.9142  1981.72  133.105  1963.66  164.904  2015.48  225.477   82.348   3.4673   83.332   4.6850 -0.9839401 5.828480 
1 1 1   14    6  -21 o   57.197   6.2299  1047.56  157.675  1099.07  178.246  862.228  338.090   61.511   5.0174   52.883   11.405 8.627766 12.45975 
1 1 1   14    7  -21 o   69.617   3.7035  1419.16  146.543  1473.46  193.102  1345.43  225.027   71.244   4.6930   67.991   5.7306 3.253204 7.407063 
1 1 1   14    8  -21 o  105.737   2.8428  3241.32  173.076  3240.57  235.753  3242.20  254.900  105.740   3.8604  105.734   4.1742 0.5958557E-02 5.685614 
1 1 1   14    9  -21 f   93.632   3.3521  2544.75  181.225  2620.69  259.459  2472.40  253.236   94.997   4.7291   92.267   4.7522 2.729385 6.704262 
1 1 1   14   10  -21 o  112.440   3.7895  3638.76  218.213  3763.97  423.850  3593.60  254.539  113.552   6.4629  111.327   3.9588 2.224846 7.579051 
1 1 1   14   11  -21 o  105.090   3.3459  3182.64  199.406  3341.83  316.580  3077.95  256.736  107.198   5.1134  102.982   4.3166 4.215515 6.691776 
1 1 1   14   12  -21 o  123.048   2.3372  4370.96  162.149  4318.87  207.317  4453.02  260.225  122.146   2.9388  123.949   3.6351 -1.802803 4.674486 
1 1 1   14   13  -21 o   33.260   6.8142  326.971  143.831  459.132  206.579  202.624  200.380   38.627   9.3585   27.894   9.9071 10.73259 13.62834 
1 1 1   14   14  -21 f   64.864   5.7449  1241.92  214.220  1218.48  316.796  1261.66  290.780   64.231   8.5398   65.498   7.6869 -1.266762 11.48988 
1 1 1   14   15  -21 o   79.359   4.4976  1830.85  206.140  1830.85  206.140   0.0000   0.0000   79.359   4.4976  ?   ?       ?      ? 
1 1 1   14   16  -21 o   33.974   8.0229  211.370  163.302  611.236  358.471  106.656  183.442   44.218   13.103   23.731   9.2616 20.48642 16.04588 
1 1 1   14   17  -21 f   16.519   5.6582 -366.6946  164.069 -393.3480  252.949 -347.3371  215.566   17.242   8.3371   15.797   7.6522 1.445433 11.31649 
1 1 1   14   18  -21 o   55.456   4.9533  831.028  140.789  1075.04  285.871  752.893  161.767   60.172   8.2261   50.740   5.5202 9.431995 9.906651 
1 1 1   14   19  -21 o   48.148   6.0995  707.784  164.791  788.827  229.788  621.970  236.454   51.566   7.7157   44.730   9.4491 6.836452 12.19906 
1 1 1   14   20  -21 o   40.497   5.8132  506.362  131.300  523.009  184.568  489.305  186.824   41.233   8.0392   39.760   8.3990 1.472797 11.62636 
1 1 1   14   21  -21 o   42.514   7.6312  622.194  179.872  373.719  368.270  700.042  206.133   36.534   13.370   48.493   7.3600 -11.95959 15.26231 
1 1 1   14   22  -21 o   20.712   6.4948 -53.6401  154.167 -59.5941  210.594 -46.7648  226.302   20.176   8.9780   21.247   9.3876 -1.071173 12.98962 
1 1 1   14   23  -21 o   94.479   2.6809  2622.00  140.807  2671.24  177.594  2538.66  231.058   95.820   3.2091   93.138   4.2954 2.682053 5.361825 
1 1 1   14   24  -21 o   61.607   3.6965  1119.99  131.197  1108.70  178.963  1133.10  192.903   61.317   5.0536   61.898   5.3960 -0.5812988 7.392965 
1 1 1   14   25  -21 o   93.118   2.8183  2512.53  148.487  2402.71  189.915  2685.25  238.167   90.650   3.6275   95.587   4.3142 -4.936821 5.636577 
1 1 1   14   26  -21 o   14.826   5.0869 -270.7063  130.824 -217.5594  161.785 -371.1094  222.368   14.132   6.7917   15.519   7.5749 -1.386889 10.17378 
1 1 1   14   27  -21 o   65.843   3.8372  1298.35  145.372  1450.15  208.860  1155.71  202.462   69.676   5.1902   62.010   5.6532 7.666451 7.674469 
1 1 1   14   28  -21 o   59.112   4.6283  1008.15  146.590  909.486  173.836  1251.01  272.728   54.929   5.4797   63.296   7.4605 -8.367554 9.256666 
1 1 1   14   29  -21 o   22.482   6.9416   49.454  150.991   72.815  171.288 -31.9632  319.776   20.960   8.6731   24.005   10.841 -3.045481 13.88311 
1 1 1   14   30  -21 o   70.576   2.9347  1432.78  115.904  1689.12  194.720  1292.12  144.240   75.115   4.4884   66.038   3.7819 9.077888 5.869318 
1 1 1   14   31  -21 o   32.126   6.3584  371.547  121.651  410.197  146.751  286.646  217.503   35.296   7.4338   28.955   10.318 6.340366 12.71677 
1 1 1   14   32  -21 o   31.127   5.5864  368.114  114.266  489.435  137.835  101.521  204.322   39.687   6.0134   22.567   9.4164 17.12008 11.17276 
1 1 1   14   33  -21 o   50.947   6.8751  896.196  124.400  890.759  132.068  938.974  370.459   54.461   4.1989   47.434   13.093 7.026344 13.75023 
1 1 1   14   34  -21 o   25.399   7.5352  175.549  181.560   69.939  342.057  216.974  214.229   24.965   11.249   25.833   10.029 -0.8680649 15.07031 
1 1 1   14   35  -21 o   40.785   6.3256  590.075  139.824  634.853  236.002  565.856  173.566   40.880   10.063   40.691   7.6669 0.1891747 12.65122 
1 1 1   14   36  -21 o   20.637   6.7440  -3.9754  165.131 -32.5700  343.333   4.6299  188.346   22.548   10.553   18.726   8.3998 3.822529 13.48802 
1 1 1   14    0  -22 o   11.043   7.8561 -300.4054  216.854 -300.4054  216.854   0.0000   0.0000   11.043   7.8561   11.043   7.8561 -0.000000 0.000000 
1 1 1   14    1  -22 o   21.504   6.5690  -3.0778  136.329   8.0546  160.415 -32.0266  258.680   19.455   8.2436   23.553   10.230 -4.098587 13.13797 
1 1 1   14    2  -22 o   66.384   4.5269  1286.21  170.477  1624.11  248.572  986.132  234.246   74.684   5.7629   58.083   6.9829 16.60090 9.053787 
1 1 1   14    3  -22 o   41.966   5.7738  529.817  134.463  589.089  200.883  481.703  180.988   44.121   8.1848   39.811   8.1460 4.309460 11.54763 
1 1 1   14    4  -22 f   16.937   5.6228 -222.6875  142.675 -118.9431  192.866 -348.0842  212.040   18.222   8.3037   15.651   7.5836 2.570889 11.24554 
1 1 1   14    5  -22 f   55.984   5.4531  988.062  158.810  746.867  258.124  1134.97  201.449   49.528   9.3670   62.440   5.5862 -12.91183 10.90624 
1 1 1   14    6  -22 o   30.533   7.2278  258.916  152.929  331.181  211.537  179.796  221.344   33.287   10.112   27.780   10.330 5.506781 14.45554 
1 1 1   14    7  -22 o  130.642   2.4911  4908.97  152.898  5007.65  335.694  4883.13  171.747  131.338   4.4255  129.946   2.2884 1.391953 4.982213 
1 1 1   14    8  -22 o   45.886   7.6983  561.870  145.787  748.270  418.142  536.076  155.547   48.922   14.055   42.851   6.2851 6.070381 15.39658 
1 1 1   14    9  -22 o   58.603   5.1629  925.253  160.278  1217.69  308.291  816.934  187.628   64.304   8.3012   52.903   6.1410 11.40103 10.32576 
1 1 1   14   10  -22 o  137.124   2.9468  5408.66  228.319  5230.18  291.773  5690.57  366.706  134.297   3.7618  139.950   4.5369 -5.652710 5.893593 
1 1 1   14   11  -22 o   64.530   5.1343  1101.44  161.539  1008.98  181.303  1457.49  355.791   58.851   5.3342   70.209   8.7744 -11.35815 10.26858 
1 1 1   14   12  -22 o   15.785   5.5966 -777.4304  206.496 -691.9561  257.134 -932.6736  346.536   14.637   7.3176   16.933   8.4700 -2.296097 11.19320 
1 1 1   14   13  -22 o   81.442   3.5490  1953.51  161.092  1845.93  260.988  2019.72  204.750   79.511   5.6834   83.372   4.2522 -3.860794 7.098038 
1 1 1   14   14  -22 f  103.527   3.4125  3084.37  180.527  3042.67  210.267  3201.32  352.107  102.411   3.5550  104.642   5.8262 -2.230934 6.825100 
1 1 1   14   15  -22 o   32.415   6.4217  297.292  135.766  508.764  201.389  121.116  183.816   40.617   8.8364   24.212   9.3204 16.40460 12.84331 
1 1 1   14   16  -22 o   90.517   4.0977  2363.17  192.352  2483.07  367.200  2317.83  225.812   91.804   6.9255   89.230   4.3818 2.574608 8.195328 
1 1 1   14   17  -22 o  115.411   2.4507  3857.01  163.352   0.0000   0.0000  3857.01  163.352  ?   ?   115.411   2.4507      ?      ? 
1 1 1   14   18  -22 o   36.163   7.8015  285.037  158.564  696.150  342.785  173.121  178.849   46.473   12.499   25.853   9.3395 20.61944 15.60306 
1 1 1   14   19  -22 o   52.891   5.1625  819.865  157.697   0.0000   0.0000  819.865  157.697  ?   ?    52.891   5.1625      ?      ? 
1 1 1   14   20  -22 o  112.799   2.5275  3688.80  164.656  3688.80  164.656   0.0000   0.0000  112.799   2.5275  ?   ?       ?      ? 
1 1 1   14   21  -22 o   64.074   3.9665  1200.75  146.077  1328.31  220.094  1100.32  195.290   67.071   5.6819   61.078   5.5362 5.992714 7.933029 
1 1 1   14   22  -22 o   45.811   5.7285  648.433  146.896  768.483  210.484  534.441  205.105   50.564   7.2077   41.058   8.9059 9.506165 11.45709 
1 1 1   14   23  -22 o   25.280   7.6660   29.870  157.947  186.968  371.101  -4.8834  174.545   31.134   12.813   19.426   8.4201 11.70842 15.33208 
1 1 1   14   24  -22 f   63.158   3.9711  1189.63  144.725  1134.44  204.778  1244.71  204.566   61.646   5.7517   64.671   5.4770 -3.025070 7.942245 
1 1 1   14   25  -22 o   20.350   6.3371 -17.0911  143.778   27.007  182.995 -88.2250  232.416   20.505   8.7504   20.195   9.1689 0.3101120 12.67428 
1 1 1   14   26  -22 o   27.742   7.0637  193.288  154.861   36.229  208.542  386.371  231.224   21.725   9.3079   33.759   10.628 -12.03441 14.12741 
1 1 1   14   27  -22 o   20.008   6.1555   25.449  123.976 -132.0112  258.188   72.634  141.335   20.240   9.3630   19.776   7.9935 0.4645786 12.31109 
1 1 1   14   28  -22 o   13.972   4.8228 -303.6373  128.455 -217.6595  179.092 -394.7365  184.349   14.926   7.1657   13.018   6.4568 1.907452 9.645567 
1 1 1   14   29  -22 o   25.682   7.3891  132.231  131.438  299.737  334.361  101.616  142.945   30.661   12.329   20.704   8.1474 9.957201 14.77822 
1 1 1   14   30  -22 o   13.284   4.6361 -329.3318  125.464 -454.9572  209.353 -258.9269  156.726   13.629   6.7801   12.939   6.3249 0.6904287 9.272209 
1 1 1   14   31  -22 o   48.053   4.4421  754.760  114.321  568.017  171.930  902.763  153.060   41.545   7.4387   54.561   4.8573 -13.01616 8.884136 
1 1 1   14   32  -22 o   52.915   4.2119  873.879  122.035  873.854  150.990  873.925  207.238   53.568   4.8804   52.262   6.8659 1.305611 8.423736 
1 1 1   14   33  -22 o   38.500   6.4767  532.563  142.233  480.279  199.053  587.108  203.311   36.285   9.4168   40.716   8.8948 -4.430656 12.95348 
1 1 1   14   34  -22 o   44.114   4.6245  595.331  117.822  595.331  117.822   0.0000   0.0000   44.114   4.6245  ?   ?       ?      ? 
1 1 1   14   35  -22 o   53.110   5.0138  956.982  149.797  1065.70  200.795  820.543  224.945   57.559   6.0403   48.660   8.0041 8.898567 10.02751 
1 1 1   14    0  -23 o  135.221   2.5364  5316.33  176.947  5335.76  208.342  5266.05  335.193  135.785   2.6590  134.656   4.3202 -0.000000 0.000000 
1 1 1   14    1  -23 o   67.518   4.0801  1314.03  156.967  1417.34  246.394  1243.47  203.637   69.687   6.1220   65.350   5.3955 4.336914 8.160277 
1 1 1   14    2  -23 o  134.918   2.5560  5259.63  195.792  5365.50  307.811  5187.69  253.739  136.011   3.9185  133.826   3.2829 2.185120 5.112018 
1 1 1   14    3  -23 o   57.702   5.3853  1007.89  171.486  1102.45  219.460  859.622  274.805   61.448   6.1839   53.956   8.8186 7.492363 10.77070 
1 1 1   14    4  -23 o   98.148   2.5986  2792.21  147.233  2774.84  204.800  2810.79  211.814   97.838   3.6244   98.459   3.7249 -0.6210632 5.197246 
1 1 1   14    5  -23 o  107.612   3.3361  3369.43  199.512  3354.65  330.173  3377.93  250.398  107.328   5.3265  107.895   4.0183 -0.5672836 6.672211 
1 1 1   14    6  -23 o   73.114   4.8255  1508.64  189.459  1418.20  226.225  1721.06  346.695   69.744   5.6162   76.484   7.8485 -6.740013 9.650996 
1 1 1   14    7  -23 o   29.650   6.7810  176.812  146.826  464.847  234.838  -8.0428  188.131   38.793   10.307   20.507   8.8148 18.28615 13.56191 
1 1 1   14    8  -23 o  161.017   2.7861  7660.91  186.009  7328.39  471.139  7722.31  202.455  158.627   5.1427  163.408   2.1452 -4.781052 5.572145 
1 1 1   14    9  -23 f   96.362   4.5227  2699.83  251.702  2699.83  251.702   0.0000   0.0000   96.362   4.5227  ?   ?       ?      ? 
1 1 1   14   10  -23 o   72.243   5.2805  1430.26  155.957  1693.72  421.650  1388.51  167.861   75.358   9.6881   69.129   4.2044 6.229416 10.56103 
1 1 1   14   11  -23 o  182.185   2.5573  9397.74  220.204 10040.34  484.806  9230.71  247.172  185.770   4.5186  178.600   2.3962 7.169250 5.114690 
1 1 1   14   12  -23 o   27.082   7.3682  155.643  161.975  174.648  215.115  130.759  246.143   27.225   10.172   26.939   10.663 0.2858620 14.73635 
1 1 1   14   13  -23 f  131.046   2.8888  5104.80  190.321  5227.09  221.828  4763.69  370.487  134.315   2.8596  127.778   5.0203 6.536942 5.777637 
1 1 1   14   14  -23 o   50.938   4.6314  752.885  133.748  817.564  213.788  711.292  171.442   52.639   7.0322   49.238   6.0288 3.400993 9.262756 
1 1 1   14   15  -23 o   39.127   6.4025  476.561  141.964  514.355  201.455  439.279  200.087   40.728   8.8198   37.525   9.2834 3.202641 12.80508 
1 1 1   14   16  -23 o   59.378   3.4166  1027.88  115.744  824.885  158.721  1258.44  169.151   53.080   5.1775   65.677   4.4594 -12.59758 6.833200 
1 1 1   14   17  -23 o   16.528   5.5963 -327.5537  154.865 -158.8284  221.430 -489.1030  216.670   18.843   8.7006   14.214   7.0411 4.628965 11.19269 
1 1 1   14   18  -23 o  145.046   2.3475  6123.33  175.174  6102.69  334.733  6131.12  205.572  144.651   4.0067  145.440   2.4473 -0.7887878 4.695044 
1 1 1   14   19  -23 o   93.405   3.8708  2653.81  184.204  2757.39  217.383  2390.05  346.895   97.215   3.8717   89.596   6.7039 7.619568 7.741599 
1 1 1   14   20  -23 o   46.950   4.5457  662.055  121.436  791.768  172.186  533.687  171.291   51.705   5.7660   42.195   7.0289 9.510204 9.091371 
1 1 1   14   21  -23 o   60.314   4.1058  1070.18  134.865  1114.26  235.128  1048.57  164.640   60.954   6.6791   59.673   4.7772 1.280453 8.211673 
1 1 1   14   22  -23 o   32.458   7.2404  335.603  151.646  299.947  206.665  377.195  223.209   30.866   10.080   34.050   10.397 -3.183514 14.48070 
1 1 1   14   23  -23 o   43.127   5.5801  571.730  135.152  692.725  206.348  480.828  178.855   47.511   7.5201   38.744   8.2461 8.766415 11.16022 
1 1 1   14   24  -23 o   59.553   5.0171  1094.06  171.642  999.342  247.073  1182.42  238.625   56.827   7.5281   62.280   6.6341 -5.453297 10.03413 
1 1 1   14   25  -23 o   46.582   7.6069  856.538  172.862  518.374  405.433  931.670  191.103   37.757   13.993   55.407   5.9719 -17.65063 15.21379 
1 1 1   14   26  -23 o   39.841   5.3320  511.051  117.938  495.346  160.681  529.394  173.654   39.259   7.3570   40.422   7.7200 -1.163120 10.66408 
1 1 1   14   27  -23 f   38.737   5.7613  448.310  125.816  734.401  211.460  291.531  156.538   48.035   7.6224   29.439   8.6411 18.59502 11.52253 
1 1 1   14   28  -23 o   22.404   10.332 -523.6620  143.497 -640.6201  161.764 -91.7739  310.852  ?   ?    22.404   10.332      ?      ? 
1 1 1   14   29  -23 o   28.246   6.2751  277.730  113.270  226.627  196.583  303.129  138.589   26.495   9.7577   29.997   7.8928 -3.502537 12.55024 
1 1 1   14   30  -23 o   66.270   4.4766  1323.21  171.336   0.0000   0.0000  1323.21  171.336  ?   ?    66.270   4.4766      ?      ? 
1 1 1   14   31  -23 o   23.582   5.3514  193.538  102.282  293.907  115.480 -171.7970  220.320   29.811   6.8509   17.352   8.2227 12.45885 10.70273 
1 1 1   14   32  -23 o   59.905   3.5082  1103.20  121.113  1042.60  173.186  1161.21  169.435   58.150   5.1567   61.661   4.7578 -3.510170 7.016334 
1 1 1   14   33  -23 o   13.484   4.5933 -168.2310   99.490 -198.0500  124.674 -115.9471  165.087   11.598   5.6632   15.371   7.2334 -3.773887 9.186593 
1 1 1   14   34  -23 o   18.049   5.9120 -30.3474  130.620   13.609  146.634 -199.2605  287.444   17.197   7.5794   18.901   9.0753 -1.703968 11.82401 
1 1 1   14    0  -24 o   27.882   9.9547  223.593  199.200   68.712  236.061  606.638  371.237   18.105   11.246   37.659   16.429 -0.000000 0.000000 
1 1 1   14    1  -24 o   25.894   7.1933  113.507  156.479  181.965  241.630   64.060  205.357   28.413   10.746   23.375   9.5653 5.038050 14.38650 
1 1 1   14    2  -24 o   48.352   4.3880  667.970  120.224  765.231  193.930  607.257  153.219   51.107   6.5703   45.598   5.8182 5.509083 8.776075 
1 1 1   14    3  -24 o   14.743   5.0838 -338.2456  137.453 -496.0081  232.083 -253.0098  170.590   15.061   7.4286   14.424   6.9424 0.6373911 10.16763 
1 1 1   14    4  -24 o  102.933   2.8176  3093.11  157.250  3027.47  272.988  3125.71  192.373  102.012   4.6335  103.854   3.2073 -1.841797 5.635190 
1 1 1   14    5  -24 o   62.672   4.0735  1154.98  144.436  1187.23  187.912  1108.41  225.792   63.827   5.0976   61.517   6.3552 2.310207 8.147036 
1 1 1   14    6  -24 o   40.585   7.5462  339.184  141.602  868.714  370.154  248.407  153.260   52.423   12.417   28.747   8.5789 23.67613 15.09233 
1 1 1   14    7  -24 o   71.923   3.3262  1492.38  132.025  1460.44  163.311  1552.63  224.303   70.905   3.9880   72.940   5.3245 -2.035133 6.652415 
1 1 1   14    8  -24 o   28.310   7.7376  150.063  182.655  260.567  269.384   56.025  248.503   31.621   11.456   24.999   10.404 6.622221 15.47527 
1 1 1   14    9  -24 o   93.770   3.0271  2517.18  161.008  2768.27  257.519  2356.03  206.305   97.500   4.5732   90.041   3.9672 7.459084 6.054159 
1 1 1   14   10  -24 o   88.408   3.3548  2291.68  170.028  2415.00  230.963  2145.77  251.225   91.079   4.3907   85.737   5.0735 5.342728 6.709651 
1 1 1   14   11  -24 o  101.486   3.3402  2935.23  167.233  3137.16  346.276  2873.80  190.981  103.458   5.7953   99.514   3.3229 3.943832 6.680346 
1 1 1   14   12  -24 o  111.614   2.6657  3686.13  156.809  3460.94  283.443  3785.45  188.240  108.954   4.5044  114.274   2.8522 -5.319733 5.331476 
1 1 1   14   13  -24 o   38.714   5.5899  460.559  122.239  515.043  166.542  396.925  179.984   41.730   6.9102   35.699   8.7885 6.031601 11.17980 
1 1 1   14   14  -24 o   58.518   4.6638  1090.24  135.734  849.327  253.580  1186.98  160.693   53.254   8.2448   63.783   4.3622 -10.52862 9.327653 
1 1 1   14   15  -24 o   60.754   5.9730  1225.67  151.206  1288.80  168.680  967.427  341.150   66.427   4.3968   55.081   11.107 11.34653 11.94602 
1 1 1   14   16  -24 o  106.024   3.1097  3289.18  189.310  3311.50  254.902  3261.72  282.700  106.499   4.1442  105.549   4.6375 0.9492264 6.219409 
1 1 1   14   17  -24 o  139.225   2.5505  5623.18  205.086   0.0000   0.0000  5623.18  205.086  ?   ?   139.225   2.5505      ?      ? 
1 1 1   14   18  -24 o  115.754   2.9937  3888.67  181.825  4006.61  338.853  3840.99  215.473  116.648   5.0298  114.860   3.2482 1.788216 5.987428 
1 1 1   14   19  -24 o   33.099   7.4135  349.439  159.127  375.977  212.227  315.360  240.493   34.181   10.070   32.016   10.883 2.164318 14.82705 
1 1 1   14   20  -24 o   15.573   5.3070 -294.8772  144.452 -164.9673  181.040 -522.4913  239.637   16.235   7.6191   14.911   7.3896 1.324390 10.61405 
1 1 1   14   21  -24 o   16.036   5.3639 -188.2564  130.948 -188.2727  193.347 -188.2426  177.983   16.475   7.7757   15.597   7.3907 0.8787565 10.72773 
1 1 1   14   22  -24 o   40.891   6.3386  544.943  140.954  542.763  175.997  548.845  235.391   41.367   7.6482   40.414   10.110 0.9529457 12.67717 
1 1 1   14   23  -24 o   39.760   6.9077  542.386  158.299  612.161  211.882  454.237  238.152   43.205   8.7904   36.314   10.658 6.891476 13.81533 
1 1 1   14   24  -24 o   55.356   3.9780  952.585  123.221  779.139  186.584  1086.74  164.097   50.382   6.4123   60.330   4.7095 -9.948246 7.955938 
1 1 1   14   25  -24 o   28.619   7.6704  189.197  140.756  134.934  155.338  438.187  332.752   22.531   8.5933   34.706   12.708 -12.17473 15.34084 
1 1 1   14   26  -24 o   46.437   5.3858  691.393  129.200  684.281  155.438  707.288  232.383   47.294   5.6907   45.580   9.1457 1.714169 10.77164 
1 1 1   14   27  -24 o   62.879   4.1073  1215.67  148.992  1180.41  204.973  1255.17  216.951   61.968   5.7272   63.790   5.8888 -1.821793 8.214571 
1 1 1   14   28  -24 o   66.747   4.8318  1265.40  147.264  1674.17  350.520  1177.78  162.280   70.929   8.5567   62.564   4.4911 8.364906 9.663668 
1 1 1   14   29  -24 o  ?   ?  -1113.4750  122.509 -1086.9301  133.651 -1253.0630  306.482  ?   ?   ?   ?       ?      ? 
1 1 1   14   30  -24 o   36.530   6.6577  393.155  106.751  354.115  114.825  641.821  289.796   33.099   6.2355   39.960   11.765 -6.861092 13.31542 
1 1 1   14   31  -24 o   33.937   5.3535  394.659   96.422  404.612  114.687  370.660  178.087   36.030   5.5114   31.844   9.1795 4.185583 10.70700 
1 1 1   14   32  -24 o   22.405   5.6860  150.957  101.483  254.080  141.632   42.151  145.482   26.688   8.3041   18.122   7.7694 8.566114 11.37197 
1 1 1   14    0  -25 f   39.803   10.611  552.269  210.758  552.269  210.758   0.0000   0.0000   39.803   10.611   39.803   10.611 -0.000000 0.000000 
1 1 1   14    1  -25 o   35.017   6.8078  381.177  141.249  353.211  218.863  401.141  184.913   34.033   10.274   36.000   8.9354 -1.967194 13.61568 
1 1 1   14    2  -25 o  106.425   2.8508  3287.48  175.060  3101.79  242.730  3488.77  252.717  103.291   4.0689  109.558   3.9940 -6.267471 5.701539 
1 1 1   14    3  -25 o   72.110   3.4435  1554.17  139.569  1750.88  185.583  1298.08  211.756   77.591   4.1413   66.629   5.5028 10.96187 6.887064 
1 1 1   14    4  -25 o   35.461   7.4643  386.976  170.069  503.009  231.837  251.786  250.244   40.130   10.030   30.791   11.057 9.339413 14.92862 
1 1 1   14    5  -25 o   65.813   3.9898  1266.52  151.549  1206.02  210.658  1331.43  218.187   64.179   5.6833   67.447   5.6012 -3.267570 7.979534 
1 1 1   14    6  -25 o   72.314   4.5745  1481.55  155.350  1637.77  346.837  1442.34  173.754   74.239   8.0892   70.389   4.2741 3.850716 9.148955 
1 1 1   14    7  -25 o   86.615   3.6166  2169.26  175.994  2291.14  287.352  2096.11  222.639   88.433   5.6262   84.797   4.5461 3.636635 7.233281 
1 1 1   14    8  -25 o  123.926   3.1513  4396.38  203.030  4662.87  387.125  4295.27  238.456  126.225   5.3103  121.626   3.3947 4.599258 6.302627 
1 1 1   14    9  -25 o   34.011   7.5236  336.956  165.583  467.190  253.997  240.703  218.361   38.523   10.917   29.498   10.355 9.025007 15.04713 
1 1 1   14   10  -25 o   29.541   6.1544  282.844  119.236   99.203  210.435  369.684  144.708   24.431   9.7965   34.650   7.4524 -10.21865 12.30887 
1 1 1   14   11  -25 o   53.378   4.2238  839.047  130.140  877.683  185.348  801.479  182.770   54.607   5.8770   52.150   6.0683 2.457020 8.447698 
1 1 1   14   12  -25 o   64.747   4.4648  1301.88  148.434  1093.96  270.305  1391.64  177.610   60.481   7.7384   69.014   4.4560 -8.532745 8.929649 
1 1 1   14   13  -25 o   52.954   6.8856  923.664  178.029  982.480  208.333  764.449  342.768   57.613   6.2611   48.295   12.266 9.318680 13.77125 
1 1 1   14   14  -25 o   45.339   5.5579  589.466  134.478  749.180  241.119  517.356  162.016   48.993   8.8469   41.684   6.7299 7.309940 11.11571 
1 1 1   14   15  -25 o   66.459   6.0925  1418.59  160.274  1268.46  396.793  1447.86  175.203   62.595   11.396   70.323   4.3138 -7.727955 12.18490 
1 1 1   14   16  -25 o   16.415   5.4372 -178.6104  131.360 -271.1476  192.793 -98.4250  179.465   15.311   7.3723   17.519   7.9938 -2.208200 10.87432 
1 1 1   14   17  -25 f   89.940   3.6244  2356.75  181.489  2518.27  303.696  2267.02  226.354   92.054   5.7123   87.826   4.4625 4.227371 7.248752 
1 1 1   14   18  -25 o   23.904   6.7502  122.571  131.497 -32.0458  282.412  165.372  148.587   23.617   10.458   24.192   8.5377 -0.5751743 13.50049 
1 1 1   14   19  -25 o   71.474   3.5886  1483.37  142.701  1398.16  177.153  1640.85  240.820   68.840   4.4558   74.109   5.6265 -5.269241 7.177142 
1 1 1   14   20  -25 o   67.705   3.4192  1363.10  133.479  1325.92  192.657  1397.41  185.106   66.753   4.9972   68.658   4.6681 -1.905289 6.838413 
1 1 1   14   21  -25 o   37.199   6.8048  472.830  141.481  427.515  254.395  493.123  170.237   35.218   11.154   39.180   7.7975 -3.962166 13.60952 
1 1 1   14   22  -25 o   65.792   5.2995  1455.37  150.370  1522.06  167.825  1183.88  338.615   71.722   4.0515   59.863   9.7941 11.85894 10.59902 
1 1 1   14   23  -25 o   44.818   5.5907  674.774  133.969  763.770  171.970  537.388  213.668   49.988   5.9566   39.647   9.4627 10.34107 11.18142 
1 1 1   14   24  -25 o   13.691   4.7249 -307.9285  125.678 -173.0228  166.028 -488.9659  192.331   14.851   7.0666   12.530   6.2739 2.321079 9.449783 
1 1 1   14   25  -25 o   15.299   5.1957 -228.7374  133.475 -289.6836  184.969 -162.5227  192.798   14.172   6.9155   16.426   7.7562 -2.254095 10.39149 
1 1 1   14   26  -25 o   32.308   6.9280  389.511  147.160  239.000  250.153  469.165  181.981   27.637   10.807   36.979   8.6713 -9.341387 13.85598 
1 1 1   14   27  -25 o   10.709   3.8300 -458.5262  108.012 -478.0468  140.001 -429.8214  169.771   9.6567   4.8974   11.762   5.8898 -2.104888 7.659924 
1 1 1   14   28  -25 o   22.062   6.0909  133.468  112.040  156.753  143.163   96.668  179.978   22.642   8.3288   21.481   8.8898 1.160833 12.18189 
1 1 1   14   29  -25 o   25.452   7.2391  171.207  141.016  135.606  160.199  293.730  297.190   22.048   8.6411   28.857   11.617 -6.809130 14.47829 
1 1 1   14   30  -25 o   51.067   4.2812  824.806  125.947  788.286  170.917  868.198  186.308   49.930   5.9270   52.203   6.1794 -2.273201 8.562423 
1 1 1   14   31  -25 o   30.795   6.9093  340.028  115.307  329.923  125.032  397.504  298.206   31.041   7.1251   30.549   11.840 0.4915924 13.81861 
1 1 1   14    0  -26 o   34.398   10.855  441.827  201.228  368.317  229.504  686.222  418.469   29.314   12.920   39.482   17.447 -0.000000 0.000000 
1 1 1   14    1  -26 o   94.301   3.1940  2565.27  172.792  2349.03  228.759  2852.55  263.673   89.748   4.4134   98.854   4.6184 -9.105896 6.388038 
1 1 1   14    2  -26 o   58.009   7.1833  1149.22  147.501  1185.10  157.582  895.383  419.123   63.763   4.2791   52.256   13.714 11.50700 14.36656 
1 1 1   14    3  -26 o   73.853   3.1193  1587.40  130.569  1609.76  206.045  1572.40  168.784   74.217   4.8070   73.489   3.9767 0.7281876 6.238700 
1 1 1   14    4  -26 o   71.390   3.7476  1488.07  153.813  1550.39  230.567  1438.10  206.471   72.693   5.4918   70.087   5.1008 2.606178 7.495206 
1 1 1   14    5  -26 o   34.003   7.1413  353.636  139.207  356.826  161.742  344.521  273.409   33.870   8.3270   34.136   11.604 -0.2667694 14.28270 
1 1 1   14    6  -26 o   13.398   4.7229 -451.4460  131.535 -359.3025  216.066 -505.7018  165.797   15.588   7.5768   11.207   5.6405 4.381325 9.445825 
1 1 1   14    7  -26 o   30.385   7.4629  264.050  160.613  223.251  242.522  295.924  214.360   29.368   10.834   31.401   10.266 -2.033344 14.92583 
1 1 1   14    8  -26 o  125.688   3.3405  4542.19  204.922  4777.89  429.016  4472.52  233.252  127.324   5.8342  124.053   3.2556 3.270027 6.681050 
1 1 1   14    9  -26 o   62.027   4.7560  1181.31  147.680  1225.08  172.667  1062.05  285.013   64.697   4.6211   59.357   8.3140 5.339741 9.511922 
1 1 1   14   10  -26 o   34.614   7.4369  287.997  165.378  650.595  292.997  118.467  200.343   44.753   11.326   24.474   9.6409 20.27878 14.87374 
1 1 1   14   11  -26 o   49.739   6.9824  701.254  142.768  896.783  380.796  669.275  154.001   51.863   12.793   47.615   5.6000 4.247589 13.96471 
1 1 1   14   12  -26 o   69.096   5.3023  1442.88  186.247  1449.95  217.764  1423.64  359.423   70.096   5.3790   68.095   9.1391 2.001488 10.60461 
1 1 1   14   13  -26 o   84.046   2.9233  2079.17  127.068  2042.46  239.599  2093.53  149.883   83.267   4.9823   84.824   3.0595 -1.557312 5.846639 
1 1 1   14   14  -26 o   89.308   2.3818  2342.23  120.751  2232.34  186.440  2421.63  158.482   87.403   3.6934   91.214   3.0084 -3.811440 4.763582 
1 1 1   14   15  -26 o  ?   ?  -1035.5160  174.555 -1274.2889  298.262 -911.1316  215.272  ?   ?   ?   ?       ?      ? 
1 1 1   14   16  -26 o   18.857   6.3556 -162.7789  147.402 -134.0442  163.006 -291.6803  345.246   15.697   7.3219   22.016   10.391 -6.318460 12.71119 
1 1 1   14   17  -26 o   92.179   3.7245  2449.94  163.826  2680.09  356.096  2388.15  184.512   94.060   6.5551   90.297   3.5380 3.762978 7.448931 
1 1 1   14   18  -26 o   15.046   5.3406 -549.1091  171.151 -475.4530  200.414 -747.5378  328.947   13.233   6.5911   16.860   8.4051 -3.626977 10.68121 
1 1 1   14   19  -26 o   36.200   7.3862  395.862  158.618  657.202  279.346  271.506  192.697   43.372   11.104   29.028   9.7425 14.34371 14.77231 
1 1 1   14   20  -26 o   21.814   6.5462   54.495  143.480   41.787  207.375   66.164  198.724   21.660   9.2810   21.968   9.2345 -0.3078804 13.09245 
1 1 1   14   21  -26 o   15.824   5.4375 -304.0487  153.562 -410.9977  252.754 -241.4737  193.335   16.267   7.9689   15.381   7.4001 0.8862095 10.87496 
1 1 1   14   22  -26 o   31.379   7.7170  306.119  155.171  456.766  303.783  252.938  180.494   35.076   12.220   27.683   9.4284 7.393141 15.43406 
1 1 1   14   23  -26 o   16.016   5.4095 -218.1216  141.505 -296.6752  202.628 -143.3437  197.699   15.022   7.3099   17.010   7.9760 -1.987522 10.81905 
1 1 1   14   24  -26 o   21.250   6.1823 -75.7998  148.258  276.282  215.245 -393.6231  204.505   28.519   10.253   13.982   6.9105 14.53710 12.36452 
1 1 1   14   25  -26 o   44.154   4.7922  613.786  121.826  665.882  181.171  570.786  164.596   45.814   6.8470   42.494   6.7066 3.319874 9.584390 
1 1 1   14   26  -26 o   53.978   4.9019  886.472  152.817  886.472  152.817   0.0000   0.0000   53.978   4.9019  ?   ?       ?      ? 
1 1 1   14   27  -26 o   19.126   5.5275   63.433  100.905 -16.5222  148.897  131.338  137.219   16.894   7.5309   21.358   8.0931 -4.463619 11.05500 
1 1 1   14   28  -26 o   39.140   5.2200  520.539  113.693  633.301  157.550  398.010  164.230   44.731   6.0985   33.549   8.4737 11.18212 10.44007 
1 1 1   14   29  -26 o   30.257   5.1436  309.777  100.212  130.289  139.759  499.708  143.768   21.077   8.1232   39.437   6.3120 -18.36075 10.28725 
1 1 1   14   30  -26 o   14.171   5.0220 -416.7903  152.416 -372.6665  180.179 -527.7980  285.787   12.607   6.2747   15.735   7.8429 -3.127670 10.04403 
1 1 1   14    0  -27 o   89.471   4.1051  2338.76  211.108  2338.76  211.108   0.0000   0.0000   89.471   4.1051   89.471   4.1051 -0.000000 0.000000 
1 1 1   14    1  -27 o   55.204   4.7290  929.620  146.446  759.180  220.659  1063.79  195.779   50.335   7.5904   60.073   5.6429 -9.737778 9.458097 
1 1 1   14    2  -27 o   44.808   7.0045  681.064  151.135  724.855  170.153  517.360  328.986   49.528   5.9485   40.088   12.683 9.439354 14.00892 
1 1 1   14    3  -27 o   49.898   4.8360  740.008  139.233  704.947  192.085  778.824  202.108   48.656   6.8356   51.140   6.8428 -2.484344 9.672095 
1 1 1   14    4  -27 o   63.096   4.7140  1181.41  171.540  1269.01  249.297  1102.64  236.404   65.328   6.6074   60.864   6.7253 4.464432 9.428052 
1 1 1   14    5  -27 o   34.430   7.5646  346.920  160.380  277.826  197.488  480.753  274.853   30.260   9.8520   38.600   11.482 -8.339804 15.12911 
1 1 1   14    6  -27 o   53.575   4.6665  847.344  143.520  989.141  213.329  730.099  193.984   57.682   6.4036   49.469   6.7897 8.213223 9.333094 
1 1 1   14    7  -27 o   71.802   4.7252  1579.50  187.730  1370.00  300.036  1714.28  240.658   67.400   7.7077   76.203   5.4682 -8.802475 9.450381 
1 1 1   14    8  -27 o   15.810   5.3966 -313.0793  132.439 -123.0479  230.277 -407.0050  161.894   19.781   9.0369   11.839   5.9013 7.941400 10.79312 
1 1 1   14    9  -27 o   76.323   3.6073  1720.54  158.743  1801.46  222.138  1636.09  226.931   78.216   4.9175   74.430   5.2791 3.786026 7.214618 
1 1 1   14   10  -27 o   19.222   6.0991 -65.1266  139.314 -73.2229  212.823 -59.0561  184.284   19.815   8.9057   18.629   8.3358 1.186321 12.19830 
1 1 1   14   11  -27 o   20.411   6.0473 -35.3820  116.644  175.086  211.890 -126.8961  139.721   26.434   10.047   14.387   6.7330 12.04763 12.09461 
1 1 1   14   12  -27 o   84.174   3.5526  2091.55  172.507  1989.68  237.237  2205.85  251.294   82.010   5.0087   86.338   5.0396 -4.327507 7.105285 
1 1 1   14   13  -27 o   42.911   6.0060  581.294  142.129  633.901  220.307  543.790  186.017   44.407   8.8999   41.414   8.0672 2.993340 12.01197 
1 1 1   14   14  -27 o   78.078   4.5271  1807.03  178.345  1770.27  206.392  1915.40  354.348   77.369   4.6189   78.787   7.7874 -1.417892 9.054128 
1 1 1   14   15  -27 o   19.278   5.9763 -140.9597  136.148 -328.4204  175.307  143.952  216.122   13.391   6.5754   25.164   9.9813 -11.77340 11.95253 
1 1 1   14   16  -27 o   32.195   7.2374  203.744  121.771  656.052  311.460  122.130  132.302   42.858   12.069   21.531   7.9905 21.32786 14.47477 
1 1 1   14   17  -27 o   20.515   6.1665   9.1245  122.425  137.134  212.445 -54.5202  149.798   24.581   9.8479   16.448   7.4245 8.133074 12.33300 
1 1 1   14   18  -27 o   20.032   5.9528   24.939  118.369  128.627  181.858 -51.2786  155.919   23.239   9.1754   16.825   7.5864 6.413849 11.90557 
1 1 1   14   19  -27 o   40.519   6.3430  560.934  147.337  657.437  197.775  440.583  220.864   45.611   7.5079   35.428   10.226 10.18318 12.68592 
1 1 1   14   20  -27 o   25.857   7.5633  139.245  152.814  115.971  170.398  234.877  345.406   22.223   8.8476   29.492   12.269 -7.268354 15.12652 
1 1 1   14   21  -27 o   13.345   4.6957 -443.6878  142.004 -493.4442  212.388 -403.4631  190.964   13.468   6.7206   13.221   6.5600 0.2468357 9.391443 
1 1 1   14   22  -27 o   51.488   5.2000  868.746  131.960  889.268  155.887  816.857  247.875   54.164   4.9832   48.811   9.1285 5.353470 10.40007 
1 1 1   14   23  -27 o   66.909   5.1059  1524.51  164.562  1230.01  318.355  1631.89  192.237   60.201   9.1563   73.617   4.5214 -13.41582 10.21180 
1 1 1   14   24  -27 o   34.025   5.6977  467.145  120.872  602.899  143.232  131.296  225.287   44.184   5.6130   23.866   9.9171 20.31736 11.39537 
1 1 1   14   25  -27 o   20.844   5.8400   88.973  111.331  191.948  155.815 -18.4282  159.129   24.302   8.7250   17.386   7.7652 6.916193 11.68005 
1 1 1   14   26  -27 o   46.014   7.3643  732.415  168.623  678.331  191.693  917.419  354.538   45.519   7.2917   46.509   12.797 -0.9901390 14.72867 
1 1 1   14   27  -27 o   57.093   4.0013  1035.63  129.851  1137.38  175.780  913.412  192.651   60.712   5.0131   53.475   6.2379 7.237267 8.002656 
1 1 1   14   28  -27 o   44.136   4.3595  629.434  110.056  543.196  156.513  713.782  154.787   40.763   6.6481   47.510   5.6412 -6.746601 8.718977 
1 1 1   14    0  -28 o   19.885   8.8118   96.922  163.507   89.558  179.304  133.277  398.393   16.791   10.130   22.980   14.421 -0.000000 0.000000 
1 1 1   14    1  -28 o   14.908   5.1283 -403.0157  134.089 -112.1072  210.975 -600.1644  173.680   18.948   8.6539   10.868   5.5054 8.080314 10.25669 
1 1 1   14    2  -28 o   32.838   6.4237  345.937  127.416  403.057  175.488  282.250  185.301   35.580   8.6287   30.096   9.5185 5.484770 12.84741 
1 1 1   14    3  -28 o   20.086   6.3821 -138.2161  128.148 -209.8667  144.761  121.311  275.508   13.229   6.3743   26.944   11.059 -13.71495 12.76428 
1 1 1   14    4  -28 o   19.762   6.0781 -10.5768  129.111   9.5679  190.919 -27.5535  175.265   20.647   8.8775   18.878   8.3046 1.768637 12.15630 
1 1 1   14    5  -28 o   18.729   5.8992 -60.4796  130.233   7.2911  188.353 -122.5563  180.267   20.442   8.8038   17.016   7.8548 3.425709 11.79848 
1 1 1   14    6  -28 o   39.980   6.6369  515.274  150.666  566.943  218.873  468.741  207.712   41.944   9.2808   38.015   9.4900 3.929173 13.27383 
1 1 1   14    7  -28 o   71.107   4.8840  1493.88  200.574   0.0000   0.0000  1493.88  200.574  ?   ?    71.107   4.8840      ?      ? 
1 1 1   14    8  -28 o   37.060   6.9934  453.761  152.565  415.803  228.607  484.242  204.859   35.527   10.447   38.593   9.3005 -3.066338 13.98681 
1 1 1   14    9  -28 o   54.457   4.1423  866.643  128.318  689.660  168.662  1109.87  197.721   47.933   6.0925   60.982   5.6140 -13.04882 8.284666 
1 1 1   14   10  -28 o   40.905   6.3833  553.595  156.478  273.163  222.523  827.912  220.084   29.809   10.454   52.001   7.3280 -22.19270 12.76668 
1 1 1   14   11  -28 o   16.220   5.3379 -145.0090  122.746 -67.0446  175.921 -218.9718  171.347   17.778   8.0334   14.662   7.0313 3.115900 10.67590 
1 1 1   14   12  -28 o   63.359   3.6355  1210.39  118.926  1226.92  140.564  1168.76  223.093   64.604   3.7673   62.115   6.2188 2.489380 7.270908 
1 1 1   14   13  -28 o   29.402   6.4150  268.302  127.260  139.321  175.519  411.261  184.785   23.608   9.1021   35.196   9.0423 -11.58731 12.83010 
1 1 1   14   14  -28 o   40.650   5.1755  553.194  111.142  412.923  181.006  638.086  140.812   35.214   8.8969   46.086   5.2903 -10.87273 10.35093 
1 1 1   14   15  -28 o   18.176   5.9742 -134.3597  151.015 -492.7153  299.428 -12.1104  174.887   17.543   8.6098   18.810   8.2846 -1.267614 11.94835 
1 1 1   14   16  -28 o   54.719   5.3362  870.930  149.971  1120.30  301.215  788.739  172.929   58.600   8.9000   50.838   5.8897 7.762329 10.67233 
1 1 1   14   17  -28 o   43.884   7.3145  675.075  159.018  680.000  178.818  656.455  347.673   46.777   6.6190   40.990   13.046 5.787018 14.62900 
1 1 1   14   18  -28 o   92.794   2.9449  2558.14  157.518  2446.74  214.768  2687.82  231.727   90.657   4.1019   94.931   4.2265 -4.273506 5.889718 
1 1 1   14   19  -28 o   14.055   4.9343 -413.0433  139.788 -502.0183  177.996 -269.8493  225.808   11.630   5.8522   16.480   7.9461 -4.850107 9.868546 
1 1 1   14   20  -28 o   80.508   3.2168  1962.87  147.963  1842.07  221.650  2059.97  198.724   77.983   4.9213   83.032   4.1440 -5.048927 6.433663 
1 1 1   14   21  -28 o   43.681   5.5737  625.174  135.227  654.335  212.117  605.208  175.520   43.754   8.7004   43.608   6.9691 0.1457710 11.14742 
1 1 1   14   22  -28 o   61.151   3.7236  1145.42  131.107  1138.92  178.492  1153.05  193.207   61.099   5.0582   61.203   5.4659 -0.1042404 7.447278 
1 1 1   14   23  -28 o   30.083   7.0107  317.058  139.196  405.033  222.020  260.082  178.673   32.848   10.422   27.318   9.3796 5.529678 14.02132 
1 1 1   14   24  -28 o   46.275   7.1906  755.741  149.785  736.883  164.832  845.109  358.834   48.465   5.8888   44.084   13.120 4.381130 14.38130 
1 1 1   14   25  -28 o   46.572   4.6691  694.008  124.327  739.680  191.774  660.896  163.290   47.600   6.9759   45.544   6.2079 2.055946 9.338162 
1 1 1   14   26  -28 o   36.548   6.4188  504.037  133.819  443.390  217.725  540.856  169.645   33.505   10.275   39.590   7.6966 -6.085049 12.83768 
1 1 1   14    0  -29 o   20.866   8.9827   18.585  235.136 -342.2303  339.489  351.268  325.986   14.544   10.246   27.189   14.758 -0.000000 0.000000 
1 1 1   14    1  -29 o   29.924   6.8867  285.722  138.926  215.602  208.928  341.299  186.006   27.497   10.070   32.352   9.3975 -4.855082 13.77350 
1 1 1   14    2  -29 o   29.459   7.4003  201.878  158.049  449.092  272.784   76.952  193.914   36.463   11.551   22.456   9.2542 14.00766 14.80056 
1 1 1   14    3  -29 o   41.558   8.3564  591.882  191.614  574.465  399.349  597.091  218.396   40.289   14.012   42.827   9.1096 -2.538357 16.71272 
1 1 1   14    4  -29 o   48.947   5.5359  706.614  150.072  626.379  183.790  867.133  259.959   45.291   7.0262   52.604   8.5567 -7.312279 11.07179 
1 1 1   14    5  -29 o   47.153   5.7613  676.168  145.850  787.760  253.718  621.092  178.245   49.171   9.2743   45.135   6.8378 4.035667 11.52251 
1 1 1   14    6  -29 o   41.258   8.4350  544.302  194.221  744.865  375.737  471.173  226.882   45.128   13.425   37.388   10.216 7.740463 16.86999 
1 1 1   14    7  -29 o   50.380   6.9805  858.437  195.400  684.393  294.669  995.034  261.051   44.320   11.436   56.440   8.0085 -12.11993 13.96098 
1 1 1   14    8  -29 o   25.417   6.3477  185.901  120.016  107.187  171.891  260.775  167.645   22.381   8.8938   28.453   9.0595 -6.072784 12.69545 
1 1 1   14    9  -29 o   30.251   6.6503  304.548  129.700  344.266  170.390  249.831  199.992   32.252   8.8705   28.250   9.9105 4.002007 13.30056 
1 1 1   14   10  -29 o   60.919   3.4181  1109.58  120.050  1163.69  168.068  1053.22  171.538   62.510   4.6553   59.328   5.0063 3.181580 6.836296 
1 1 1   14   11  -29 o   58.769   4.1656  1074.32  135.853  942.112  215.920  1160.95  174.785   55.235   6.7685   62.303   4.8575 -7.067917 8.331121 
1 1 1   14   12  -29 o   61.724   4.1950  1166.20  148.726  1103.60  217.874  1220.82  203.520   59.963   6.2912   63.485   5.5508 -3.521538 8.389932 
1 1 1   14   13  -29 o   48.631   6.5432  875.809  128.307  656.085  317.994  918.537  140.229   41.743   12.334   55.520   4.3732 -13.77740 13.08638 
1 1 1   14   14  -29 o   27.613   5.8515  252.815  100.507  249.273  148.858  255.782  136.255   27.428   8.5098   27.799   8.0340 -0.3707180 11.70306 
1 1 1   14   15  -29 o   53.182   6.0379  916.618  156.936  966.844  307.995  899.005  182.389   52.229   10.573   54.134   5.8337 -1.904816 12.07577 
1 1 1   14   16  -29 o   61.051   4.4610  1157.94  157.265  1128.12  220.589  1188.77  224.270   60.229   6.3415   61.873   6.2760 -1.643192 8.922048 
1 1 1   14   17  -29 f   42.030   5.5150  574.205  130.053  457.362  176.623  712.578  192.209   36.654   8.5073   47.406   7.0204 -10.75183 11.02997 
1 1 1   14   18  -29 o   48.334   4.6862  736.419  130.551  719.894  189.082  751.473  180.474   47.667   6.8683   49.001   6.3771 -1.334473 9.372302 
1 1 1   14   19  -29 o   96.002   3.4047  2726.46  177.863  2597.96  215.837  2998.37  313.965   93.260   4.0072   98.744   5.5054 -5.483177 6.809336 
1 1 1   14   20  -29 o   10.638   3.8109 -520.0110  114.992 -507.3881  152.459 -536.6682  175.136   10.135   5.1367   11.142   5.6308 -1.006975 7.621819 
1 1 1   14   21  -29 o   16.411   5.5459 -217.5553  139.454 -62.2191  229.719 -308.2091  175.491   19.541   8.9638   13.280   6.5327 6.260085 11.09171 
1 1 1   14   22  -29 o   52.015   3.9036  840.112  117.203  869.080  169.251  813.423  162.457   52.860   5.5439   51.170   5.4971 1.689823 7.807281 
1 1 1   14   23  -29 o   29.236   6.8111  318.509  143.499  171.048  215.740  435.513  192.174   24.199   9.8421   34.273   9.4180 -10.07405 13.62224 
1 1 1   14   24  -29 o   34.771   7.2439  476.085  155.546  456.744  225.787  493.555  214.590   33.845   10.477   35.697   10.006 -1.852428 14.48772 
1 1 1   14   25  -29 o   48.385   5.4965  841.341  141.052  588.571  210.429  1047.58  190.076   39.448   9.3745   57.322   5.7415 -17.87368 10.99295 
1 1 1   14    0  -30 o   27.030   9.6568  355.268  187.120  388.533  213.342  244.350  389.573   29.754   12.415   24.307   14.795 -0.000000 0.000000 
1 1 1   14    1  -30 o   10.571   5.3228 -441.5700  148.551   0.0000   0.0000 -441.5700  148.551  ?   ?    10.571   5.3228      ?      ? 
1 1 1   14    2  -30 o   23.166   7.2765  -1.9815  174.508   57.110  334.761 -24.0316  204.491   26.336   11.534   19.996   8.8747 6.340254 14.55298 
1 1 1   14    3  -30 f   31.087   7.0708  311.613  140.611  387.712  230.670  266.616  177.376   33.579   10.620   28.595   9.3382 4.983912 14.14163 
1 1 1   14    4  -30 o   39.636   6.3893  526.672  132.512  539.538  154.992  491.716  255.471   41.958   6.3960   37.314   11.063 4.644733 12.77851 
1 1 1   14    5  -30 o   21.609   6.6420  -8.8963  156.145  126.507  238.604 -110.3164  206.503   24.952   10.272   18.266   8.4231 6.685244 13.28394 
1 1 1   14    6  -30 o   55.038   6.4995  968.407  181.627  926.336  214.288  1075.73  342.264   54.705   6.7825   55.372   11.089 -0.6675415 12.99890 
1 1 1   14    7  -30 o   15.438   5.3161 -348.0402  153.830 -221.9774  215.157 -479.8695  220.023   16.808   8.0105   14.069   6.9910 2.738615 10.63214 
1 1 1   14    8  -30 o   67.910   5.2036  1407.24  188.880  1571.58  344.673  1336.71  225.804   69.667   8.5663   66.153   5.9101 3.513908 10.40729 
1 1 1   14    9  -30 o   30.167   7.1591  284.558  139.366  230.065  168.442  402.819  248.142   26.690   9.1081   33.643   11.048 -6.953371 14.31820 
1 1 1   14   10  -30 o   57.574   5.0984  1001.06  169.530   0.0000   0.0000  1001.06  169.530  ?   ?    57.574   5.0984      ?      ? 
1 1 1   14   11  -30 o   27.756   6.8352  230.905  151.815  405.908  205.491   20.599  225.266   33.968   9.8805   21.543   9.4475 12.42423 13.67039 
1 1 1   14   12  -30 o   58.379   4.4278  1039.49  147.125  1159.33  232.722  959.707  189.884   60.902   6.6164   55.857   5.8861 5.045731 8.855664 
1 1 1   14   13  -30 o   23.716   7.0438  117.317  152.578 -16.6070  318.951  157.058  173.748   23.797   10.779   23.635   9.0705 0.1618767 14.08769 
1 1 1   14   14  -30 o   25.500   7.1914  170.931  134.307  199.693  311.709  164.374  148.831   27.693   11.599   23.307   8.5043 4.385960 14.38289 
1 1 1   14   15  -30 o   51.231   4.8714  822.449  141.437  782.844  181.707  883.334  225.294   50.068   6.2839   52.394   7.4454 -2.325798 9.742706 
1 1 1   14   16  -30 o   16.357   5.4878 -178.3490  139.579 -131.1536  201.766 -221.6645  193.295   17.278   8.0876   15.436   7.4198 1.841399 10.97555 
1 1 1   14   17  -30 o   31.948   5.8974  352.549  109.172  344.612  169.230  358.207  142.879   31.308   8.9247   32.589   7.7115 -1.280909 11.79482 
1 1 1   14   18  -30 o   27.914   7.7133  259.684  164.721  280.251  183.405  173.886  374.594   28.186   9.5045   27.642   12.151 0.5441151 15.42663 
1 1 1   14   19  -30 o   28.005   7.8234  255.416  165.578  248.900  185.946  280.369  363.867   26.782   9.5402   29.228   12.402 -2.445820 15.64681 
1 1 1   14   20  -30 o   19.143   5.5755   32.251  104.520  173.429  161.044 -70.4943  137.386   23.421   8.7913   14.864   6.8598 8.557304 11.15099 
1 1 1   14   21  -30 o   20.640   6.3091   60.441  130.540  101.322  227.091   40.266  159.533   22.541   9.6866   18.739   8.0863 3.801090 12.61817 
1 1 1   14   22  -30 o   19.497   6.1160   14.711  130.632   94.228  221.864 -27.4831  161.616   22.025   9.5199   16.969   7.6808 5.056337 12.23208 
1 1 1   14   23  -30 o   28.707   6.4023  327.976  125.541  195.952  219.848  391.857  152.926   24.395   9.9301   33.019   8.0841 -8.623917 12.80468 
1 1 1   14    0  -31 o   10.964   7.7962 -262.6258  212.763 -262.6258  212.763   0.0000   0.0000   10.964   7.7962   10.964   7.7962 -0.000000 0.000000 
1 1 1   14    1  -31 o   27.731   7.2237  223.010  166.683   30.737  248.351  380.614  224.849   22.652   9.9271   32.810   10.497 -10.15720 14.44739 
1 1 1   14    2  -31 o   33.216   6.3884  376.221  126.351  430.909  182.637  326.020  174.983   35.554   8.9116   30.877   9.1559 4.677250 12.77681 
1 1 1   14    3  -31 o   14.829   5.1378 -317.6335  138.141 -260.9721  228.596 -350.2280  173.379   16.804   8.0749   12.854   6.3549 3.949789 10.27567 
1 1 1   14    4  -31 o   33.071   6.0130  364.148  111.331  352.935  137.002  385.951  191.035   32.815   7.4048   33.327   9.4759 -0.5126648 12.02599 
1 1 1   14    5  -31 o   59.262   5.2812  1148.10  161.603  1035.36  293.484  1197.16  193.596   55.765   9.1125   62.759   5.3411 -6.994297 10.56247 
1 1 1   14    6  -31 o   39.972   9.4616  643.733  255.970  621.545  343.116  671.580  384.382   39.546   12.991   40.398   13.759 -0.8520927 18.92313 
1 1 1   14    7  -31 o   43.054   6.0384  619.252  143.590  654.883  220.319  592.941  189.322   43.814   9.0076   42.294   8.0445 1.519848 12.07688 
1 1 1   14    8  -31 o   15.674   5.5659 -599.3298  190.948 -578.7377  335.643 -609.1836  232.182   17.889   8.8439   13.459   6.7605 4.430132 11.13188 
1 1 1   14    9  -31 o   55.382   6.2185  1088.48  151.478  905.939  319.974  1141.20  171.969   49.311   11.454   61.453   4.8453 -12.14180 12.43692 
1 1 1   14   10  -31 o   49.779   4.3968  767.891  126.110  833.431  185.810  711.917  171.716   51.739   6.2183   47.819   6.2177 3.919903 8.793524 
1 1 1   14   11  -31 f   23.281   6.4952  143.693  129.393  170.946  174.475  110.383  192.887   24.050   9.1229   22.512   9.2480 1.538153 12.99048 
1 1 1   14   12  -31 o   62.667   5.2538  1273.15  153.305  1241.23  328.072  1282.07  173.401   60.146   9.4445   65.188   4.6057 -5.042778 10.50767 
1 1 1   14   13  -31 o   29.996   5.9864  324.873  118.430  441.121  153.427  153.500  186.286   36.400   7.5460   23.592   9.2955 12.80751 11.97284 
1 1 1   14   14  -31 o   46.561   5.5976  722.735  142.169  706.560  227.915  733.038  181.894   44.995   9.0835   48.128   6.5440 -3.132942 11.19526 
1 1 1   14   15  -31 o   21.526   6.1840 -23.0085  119.191  318.720  228.219 -151.1802  139.768   29.586   10.566   13.466   6.4286 16.11968 12.36796 
1 1 1   14   16  -31 o   42.608   5.8001  599.901  133.930  677.691  227.877  558.849  165.539   43.547   9.3406   41.668   6.8788 1.879715 11.60019 
1 1 1   14   17  -31 o   21.863   6.3006  104.625  136.512  206.481  160.300 -164.2112  260.426   24.784   8.8548   18.942   8.9656 5.841928 12.60112 
1 1 1   14   18  -31 o   44.640   5.9957  698.330  146.224  719.286  186.639  665.023  235.296   47.021   6.8727   42.260   9.8265 4.760906 11.99143 
1 1 1   14   19  -31 o   14.469   4.9779 -248.6817  132.384 -249.6483  181.502 -247.5830  193.512   14.157   6.8954   14.782   7.1815 -0.6248446 9.955889 
1 1 1   14   20  -31 o   31.032   6.5611  368.250  132.866  477.807  184.098  249.149  191.950   35.976   8.9074   26.088   9.6360 9.888514 13.12229 
1 1 1   14    0  -32 o   54.735   7.8021  944.285  191.700  842.842  219.434  1271.22  393.937   50.823   8.0899   58.648   13.343 -0.000000 0.000000 
1 1 1   14    1  -32 o   15.659   5.2936 -201.0061  134.774 -191.2644  195.678 -209.7980  185.895   16.053   7.6475   15.266   7.3216 0.7865496 10.58727 
1 1 1   14    2  -32 o   14.487   5.0017 -312.0773  138.989 -217.0316  185.619 -433.3788  209.695   15.141   7.2760   13.833   6.8651 1.308510 10.00349 
1 1 1   14    3  -32 o   34.678   6.2981  418.666  126.215  427.736  167.144  406.633  192.523   35.473   8.3049   33.884   9.4706 1.589703 12.59618 
1 1 1   14    4  -32 o   28.358   7.7473  264.607  170.747  158.600  358.833  295.635  194.134   27.605   12.019   29.111   9.7788 -1.506802 15.49461 
1 1 1   14    5  -32 o   34.336   8.7484  461.610  222.431  417.627  344.550  493.039  291.254   33.094   12.755   35.577   11.977 -2.482780 17.49682 
1 1 1   14    6  -32 o   58.994   4.7594  1109.06  148.857  1125.31  179.903  1073.78  265.073   60.765   5.1262   57.223   8.0206 3.541908 9.518853 
1 1 1   14    7  -32 o   16.803   5.7410 -270.4966  153.449 -345.5701  188.987 -125.2414  262.878   13.649   6.7263   19.958   9.3056 -6.309308 11.48203 
1 1 1   14    8  -32 o   50.727   7.1416  832.365  156.848  786.288  171.753  1063.82  384.940   50.304   5.9118   51.150   13.002 -0.8462410 14.28326 
1 1 1   14    9  -32 o   21.558   8.2110  130.467  141.705  130.467  141.705   0.0000   0.0000   21.558   8.2110  ?   ?       ?      ? 
1 1 1   14   10  -32 o   36.698   5.8941  411.704  117.761  293.111  142.259  669.892  209.902   29.204   8.1333   44.192   8.5331 -14.98792 11.78828 
1 1 1   14   11  -32 o   25.902   6.8136  221.319  135.999  214.855  202.234  226.656  183.755   25.792   9.8126   26.011   9.4559 -0.2196751 13.62723 
1 1 1   14   12  -32 o   47.063   5.4995  722.513  141.423  674.380  177.470  806.262  234.095   45.914   6.6926   48.212   8.7285 -2.298195 10.99897 
1 1 1   14   13  -32 o   21.558   6.4298   80.437  141.127 -16.2907  211.130  158.563  189.745   19.605   8.8351   23.511   9.3440 -3.906208 12.85959 
1 1 1   14   14  -32 o   21.236   6.8427 -11.6613  181.939   89.758  207.670 -346.5389  377.361   21.865   9.3260   20.608   10.016 1.257488 13.68533 
1 1 1   14   15  -32 o   28.749   7.7739  268.240  156.399  450.567  329.981  215.415  177.616   32.385   12.482   25.112   9.2705 7.272411 15.54787 
1 1 1   14   16  -32 o   29.851   6.4142  314.339  123.049  453.913  189.563  212.703  161.761   34.943   9.2486   24.759   8.8898 10.18372 12.82830 
1 1 1   14   17  -32 o   29.337   6.5753  333.106  149.236  508.586  190.867   57.086  239.379   37.096   9.0004   21.577   9.5880 15.51926 13.15055 
1 1 1   14    0  -33 o   12.759   6.4078 -226.3675  171.533 -227.6994  203.189 -223.0637  320.012   10.885   7.7178   14.633   10.231 -0.000000 0.000000 
1 1 1   14    1  -33 o   18.846   6.3450 -207.7837  189.681 -228.5435  278.505 -189.8230  259.049   18.963   9.0587   18.728   8.8867 0.2349052 12.68992 
1 1 1   14    2  -33 o   20.524   6.3595   31.121  143.936   22.909  210.194   38.372  197.510   20.575   9.0712   20.473   8.9155 0.1020107 12.71897 
1 1 1   14    3  -33 o   25.770   6.7594  211.747  136.098  143.048  188.601  286.389  196.590   23.146   9.2767   28.395   9.8335 -5.248240 13.51870 
1 1 1   14    4  -33 o   41.472   7.5129  651.985  181.464  705.759  250.471  592.577  263.265   43.866   10.096   39.078   11.129 4.788670 15.02570 
1 1 1   14    5  -33 o   32.515   7.0826  330.988  149.751  169.450  184.568  642.210  256.185   23.886   9.2989   41.143   10.686 -17.25677 14.16524 
1 1 1   14    6  -33 o   21.443   6.1492   59.452  122.262 -52.5631  155.635  239.990  197.585   16.356   7.4556   26.531   9.7808 -10.17449 12.29838 
1 1 1   14    7  -33 o   55.490   4.0277  1001.37  118.819  1094.15  147.404  829.242  200.771   60.240   4.2368   50.739   6.8513 9.500240 8.055470 
1 1 1   14    8  -33 o   37.477   5.9405  497.625  125.310  553.165  168.260  428.458  187.771   40.622   7.4464   34.333   9.2580 6.288513 11.88106 
1 1 1   14    9  -33 o   46.946   4.9065  710.131  132.009  673.963  174.635  758.352  201.642   45.808   6.6009   48.084   7.2609 -2.276501 9.812939 
1 1 1   14   10  -33 o   20.518   6.2193   65.182  131.990   43.185  185.769   87.607  187.569   19.889   8.6539   21.147   8.9348 -1.257652 12.43866 
1 1 1   14   11  -33 o   44.913   4.7652  638.759  118.761  597.263  147.124  716.364  201.201   43.479   5.8590   46.347   7.5167 -2.868130 9.530389 
1 1 1   14   12  -33 o   52.259   4.6421  892.366  138.380  773.483  199.938  1001.67  191.718   48.347   7.1604   56.171   5.9097 -7.823380 9.284230 
1 1 1   14   13  -33 o   27.571   8.0143  242.816  175.393  194.790  197.670  420.589  380.309   24.325   9.5781   30.818   12.852 -6.493834 16.02858 
1 1 1   14   14  -33 o   30.448   7.6544  390.588  177.443  261.072  283.958  473.563  227.283   26.805   11.136   34.090   10.505 -7.284836 15.30882 
1 1 1   14    0  -34 o   38.563   10.858  571.083  209.360  571.083  209.360   0.0000   0.0000   38.563   10.858   38.563   10.858 -0.000000 0.000000 
1 1 1   14    1  -34 o   14.804   5.1652 -335.3576  148.832 -366.7831  252.197 -318.5647  184.358   16.092   7.8988   13.516   6.6577 2.576148 10.33031 
1 1 1   14    2  -34 o   24.654   7.5207  151.290  180.400  174.560  206.260   75.550  372.118   24.086   9.6844   25.221   11.509 -1.134525 15.04136 
1 1 1   14    3  -34 o   32.018   7.4340  381.942  173.669  614.647  252.991  174.555  238.832   39.402   10.797   24.634   10.221 14.76830 14.86794 
1 1 1   14    4  -34 o   35.788   8.7261  540.867  213.341  689.063  349.752  453.056  269.227   38.578   13.125   32.998   11.503 5.579754 17.45213 
1 1 1   14    5  -34 o   59.314   7.0953  1374.16  171.910  1427.78  190.960  1144.89  394.835   68.087   4.8561   50.540   13.334 17.54712 14.19056 
1 1 1   14    6  -34 o   38.895   7.6605  609.326  178.758  633.709  245.748  581.929  260.500   40.183   10.480   37.606   11.176 2.576935 15.32105 
1 1 1   14    7  -34 o   32.928   8.0899  388.706  152.098  348.616  165.187  612.026  389.873   30.762   8.8331   35.095   13.556 -4.333166 16.17971 
1 1 1   14    8  -34 o   50.312   7.5226  939.700  178.550  901.381  200.712  1085.04  390.895   52.512   6.6181   48.112   13.512 4.399746 15.04528 
1 1 1   14    9  -34 o   37.391   8.3242  570.356  194.660  818.049  330.649  438.969  240.816   42.360   12.592   32.422   10.891 9.938583 16.64834 
1 1 1   15    0    0 -   9.6746   7.0901 -673.1403  256.097   0.0000   0.0000 -673.1403  256.097   9.6746   7.0901   9.6746   7.0901 -0.000000 0.000000 
1 1 1   15    1    0 o  303.607   1.6376 26625.35  287.019 26736.67  411.620 26520.01  400.423  304.223   2.3430  302.990   2.2886 -0.000000 0.000000 
1 1 1   15    2    0 o   39.666   9.6203  528.227  191.006  528.227  191.006   0.0000   0.0000   39.666   9.6203   39.666   9.6203 -0.000000 0.000000 
1 1 1   15    3    0 o  128.439   1.9974  4772.12  148.003  4777.88  209.322  4766.36  209.296  128.516   2.8232  128.361   2.8263 -0.000000 0.000000 
1 1 1   15    4    0 o  197.557   2.0977 11173.29  213.254 11521.68  410.787 11044.76  249.510  199.601   3.5660  195.513   2.2103 -0.000000 0.000000 
1 1 1   15    5    0 o   38.610   8.5669  531.736  157.868  518.801  187.992  562.679  290.758   39.291   9.5608   37.929   14.218 -0.000000 0.000000 
1 1 1   15    6    0 f   11.013   5.5005 -265.8195  144.896 -137.8681  182.763 -482.3281  237.740   11.767   8.1082   10.259   7.4350 -0.000000 0.000000 
1 1 1   15    7    0 o   19.816   8.6024   78.409  189.435   14.620  251.698  161.752  287.701   17.438   11.153   22.194   13.101 -0.000000 0.000000 
1 1 1   15    8    0 o   90.056   3.6392  2354.88  188.576  2354.88  188.576   0.0000   0.0000   90.056   3.6392   90.056   3.6392 -0.000000 0.000000 
1 1 1   15    9    0 o   35.517   6.7130  488.707  172.076 -29.8699  257.539  906.920  231.279   16.686   10.897   54.348   7.8430 -0.000000 0.000000 
1 1 1   15   10    0 o  123.302   2.7610  4398.65  196.393  4398.65  196.393   0.0000   0.0000  123.302   2.7610  123.302   2.7610 -0.000000 0.000000 
1 1 1   15   11    0 o   57.618   6.3202  1042.47  189.229  1111.80  250.344  950.057  289.024   60.632   7.4506   54.604   10.211 -0.000000 0.000000 
1 1 1   15   12    0 o  175.115   2.2314  8856.81  225.267  9119.21  327.923  8622.33  309.985  177.566   3.2000  172.663   3.1108 -0.000000 0.000000 
1 1 1   15   13    0 o  234.279   2.1435 15846.76  288.838 15641.56  390.801 16093.79  428.795  232.619   2.9099  235.939   3.1480 -0.000000 0.000000 
1 1 1   15   14    0 o  167.218   2.3624  8097.46  227.010  8172.33  308.203  8008.69  335.630  168.080   3.1775  166.355   3.4968 -0.000000 0.000000 
1 1 1   15   15    0 o   9.6986   7.1397 -1008.6420  167.432 -1103.8730  207.769 -832.2505  282.769   9.6986   7.1397   9.6986   7.1397 -0.000000 0.000000 
1 1 1   15   16    0 o  180.677   2.1537  9434.18  224.661  9434.18  224.661   0.0000   0.0000  180.677   2.1537  180.677   2.1537 -0.000000 0.000000 
1 1 1   15   17    0 o  112.397   2.8032  3657.28  181.711   0.0000   0.0000  3657.28  181.711  112.397   2.8032  112.397   2.8032 -0.000000 0.000000 
1 1 1   15   18    0 o  153.034   2.4849  6769.17  218.868  6158.08  303.241  7433.69  316.220  145.815   3.6058  160.253   3.4201 -0.000000 0.000000 
1 1 1   15   19    0 o  ?   ?  -742.0052  183.196   0.0000   0.0000 -742.0052  183.196  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   15   20    0 o   69.623   4.7461  1422.11  188.805   0.0000   0.0000  1422.11  188.805   69.623   4.7461   69.623   4.7461 -0.000000 0.000000 
1 1 1   15   21    0 o  116.504   4.0100  3939.58  269.093   0.0000   0.0000  3939.58  269.093  116.504   4.0100  116.504   4.0100 -0.000000 0.000000 
1 1 1   15   22    0 o   22.932   8.9501  203.551  179.481  105.913  261.753  290.195  246.575   19.915   12.124   25.949   13.169 -0.000000 0.000000 
1 1 1   15   23    0 o   73.949   5.7508  1843.12  179.525  2938.76  253.698  744.232  254.074  100.496   4.3901   47.401   10.631 -0.000000 0.000000 
1 1 1   15   24    0 o  126.036   3.7650  4606.23  273.504   0.0000   0.0000  4606.23  273.504  126.036   3.7650  126.036   3.7650 -0.000000 0.000000 
1 1 1   15   25    0 o   67.941   6.5102  1375.33  250.067   0.0000   0.0000  1375.33  250.067   67.941   6.5102   67.941   6.5102 -0.000000 0.000000 
1 1 1   15   26    0 o   76.643   3.9737  1724.54  171.857  1425.68  235.647  2064.09  251.180   69.359   5.9852   83.927   5.2285 -0.000000 0.000000 
1 1 1   15   27    0 o   56.798   7.8646  990.401  243.869   0.0000   0.0000  990.401  243.869   56.798   7.8646   56.798   7.8646 -0.000000 0.000000 
1 1 1   15   28    0 o   39.666   5.0499  331.328  191.889 -695.7095  265.922  1447.10  277.172   9.8346   7.2092   69.498   7.0734 -0.000000 0.000000 
1 1 1   15   29    0 o   53.415   5.9922  882.688  187.569  2429.87  308.454 -25.1099  236.273   90.906   5.9331   15.924   10.413 -0.000000 0.000000 
1 1 1   15   30    0 o   25.831   9.8306  261.250  189.991  374.231  342.328  210.958  228.396   29.196   15.339   22.466   12.300 -0.000000 0.000000 
1 1 1   15   31    0 o   64.710   6.1937  1251.43  226.604   0.0000   0.0000  1251.43  226.604   64.710   6.1937   64.710   6.1937 -0.000000 0.000000 
1 1 1   15   32    0 o   62.599   7.1919  1189.24  251.115   0.0000   0.0000  1189.24  251.115   62.599   7.1919   62.599   7.1919 -0.000000 0.000000 
1 1 1   15   33    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   34    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   35    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   36    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   37    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   38    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   39    0 o   33.126   6.4853  360.389  110.479  360.389  110.479   0.0000   0.0000   33.126   6.4853   33.126   6.4853 -0.000000 0.000000 
1 1 1   15   40    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   41    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   42    0 o   16.429   8.3696  124.452   99.825   0.0000   0.0000  124.452   99.825   16.429   8.3696   16.429   8.3696 -0.000000 0.000000 
1 1 1   15   43    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   44    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0   -1 o  359.771   2.1493 37522.36  425.221 37808.61  527.424 36990.75  718.750  361.770   2.5246  357.772   3.4792 -0.000000 0.000000 
1 1 1   15    1   -1 o   85.386   3.8641  2153.01  176.929  1992.39  309.039  2231.32  215.795   82.931   6.4523   87.842   4.2536 -4.911285 7.728197 
1 1 1   15    2   -1 o   26.941   5.7322  188.878  108.746  348.757  154.374   31.396  153.212   33.991   7.9972   19.891   8.2146 14.10002 11.46447 
1 1 1   15    3   -1 o  283.522   1.8411 22999.77  255.292 23649.96  531.294 22804.58  291.101  286.062   3.2158  280.982   1.7938 5.080353 3.682279 
1 1 1   15    4   -1 o   99.204   2.0466  2843.99  117.086  2641.75  164.168  3053.35  167.038   95.612   2.9730  102.795   2.8136 -7.182732 4.093252 
1 1 1   15    5   -1 o   72.901   3.2877  1548.27  136.575  1465.05  207.801  1611.56  181.209   71.152   5.0568   74.649   4.2031 -3.497391 6.575492 
1 1 1   15    6   -1 o  236.638   1.2691 16172.41  173.434 16387.21  247.235 15964.30  243.358  238.185   1.7973  235.092   1.7923 3.093369 2.538237 
1 1 1   15    7   -1 o   84.529   3.3727  1975.27  139.514  1899.30  158.067  2243.08  296.787   81.058   3.3764   88.000   5.8395 -6.941559 6.745406 
1 1 1   15    8   -1 o   17.483   8.5483 -656.0058  155.808 -547.1429  286.823 -701.5774  185.576   17.483   8.5483  ?   ?       ?      ? 
1 1 1   15    9   -1 o   82.846   2.5418  2020.55  119.212  1751.21  179.697  2232.26  159.320   77.813   3.9986   87.879   3.1391 -10.06630 5.083531 
1 1 1   15   10   -1 o  190.589   1.8785 10563.15  196.880 10717.68  244.605 10278.87  331.767  192.603   2.1990  188.575   3.0462 4.027756 3.756987 
1 1 1   15   11   -1 o  104.015   2.6134  3126.61  156.993  3126.61  156.993   0.0000   0.0000  104.015   2.6134  ?   ?       ?      ? 
1 1 1   15   12   -1 o  168.427   2.0165  8304.83  157.540  8023.40  347.299  8377.74  176.773  166.559   3.6104  170.295   1.7973 -3.736649 4.033003 
1 1 1   15   13   -1 o   64.117   4.1062  1162.76  141.122  1116.09  168.840  1270.94  257.058   62.082   4.7090   66.153   6.7282 -4.070660 8.212385 
1 1 1   15   14   -1 o  113.329   3.0713  3713.57  201.024  3713.57  201.024   0.0000   0.0000  113.329   3.0713  ?   ?       ?      ? 
1 1 1   15   15   -1 o  147.036   2.5532  6254.63  215.894  6259.04  320.481  6250.96  292.126  147.071   3.7730  147.002   3.4408 0.6935120E-01 5.106367 
1 1 1   15   16   -1 o   41.954   5.3770  510.218  117.974  490.677  141.321  555.145  214.283   41.108   5.9524   42.800   8.9563 -1.692318 10.75394 
1 1 1   15   17   -1 o  ?   ?  -724.0880  160.359 -724.0880  160.359   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   15   18   -1 o  130.690   2.6229  4938.11  197.975   0.0000   0.0000  4938.11  197.975  ?   ?   130.690   2.6229      ?      ? 
1 1 1   15   19   -1 f   70.122   4.0040  1462.14  153.542  1543.78  191.924  1316.99  255.914   72.978   4.5536   67.266   6.5874 5.712204 8.008078 
1 1 1   15   20   -1 o  128.945   2.1931  4864.39  142.421  4922.54  165.557  4698.86  279.325  130.502   2.1966  127.387   3.7966 3.115372 4.386276 
1 1 1   15   21   -1 o   25.246   7.0833  105.669  150.992  128.635  189.722   65.989  249.375   24.930   9.4995   25.562   10.510 -0.6320915 14.16669 
1 1 1   15   22   -1 o   27.480   7.1993  152.442  146.829  262.832  250.518   94.679  181.216   31.583   11.091   23.376   9.1816 8.207325 14.39859 
1 1 1   15   23   -1 f   73.259   4.0705  1543.02  170.523  1266.42  229.442  1884.33  254.870   65.982   6.0209   80.535   5.4796 -14.55355 8.141060 
1 1 1   15   24   -1 o   23.025   10.006 -34.4083  247.732   0.0000   0.0000 -34.4083  247.732  ?   ?    23.025   10.006      ?      ? 
1 1 1   15   25   -1 o  130.004   3.7080  4895.47  278.410   0.0000   0.0000  4895.47  278.410  ?   ?   130.004   3.7080      ?      ? 
1 1 1   15   26   -1 o  188.895   2.1331 10321.40  232.451  9662.66  324.972 11011.56  332.634  182.718   3.0795  195.073   2.9525 -12.35492 4.266179 
1 1 1   15   27   -1 o   33.213   9.5777  333.588  193.840   0.0000   0.0000  333.588  193.840  ?   ?    33.213   9.5777      ?      ? 
1 1 1   15   28   -1 o   37.923   9.0108  441.452  194.439   0.0000   0.0000  441.452  194.439  ?   ?    37.923   9.0108      ?      ? 
1 1 1   15   29   -1 o  117.507   3.3661  4105.91  222.925  4591.04  296.892  3478.89  337.531  125.753   4.0878  109.261   5.3489 16.49274 6.732107 
1 1 1   15   30   -1 o   35.779   6.9118  321.782  206.060  779.645  266.982 -352.8300  324.071   50.376   9.5253   21.181   10.018 29.19523 13.82365 
1 1 1   15   31   -1 o   63.085   6.2336  1152.99  216.902  1078.02  265.981  1301.80  374.751   60.363   7.6294   65.807   9.8602 -5.443905 12.46719 
1 1 1   15   32   -1 o   99.987   4.0275  2906.63  219.594  2852.87  268.363  3015.58  382.017   98.853   4.7005  101.120   6.5412 -2.266823 8.054967 
1 1 1   15   33   -1 o   25.654   6.8339 -56.5384  193.880  375.446  243.383 -806.6959  320.725   34.777   10.896   16.532   8.2511 18.24414 13.66785 
1 1 1   15   34   -1 o   65.200   5.4942  1256.87  204.891  1104.77  268.292  1469.72  317.374   60.591   7.6668   69.809   7.8718 -9.218575 10.98839 
1 1 1   15   35   -1 o   96.789   4.8423  2760.40  270.683  2760.40  270.683   0.0000   0.0000   96.789   4.8423  ?   ?       ?      ? 
1 1 1   15   36   -1 o   87.324   6.4064  2298.13  323.097  2298.13  323.097   0.0000   0.0000   87.324   6.4064  ?   ?       ?      ? 
1 1 1   15   37   -1 o   48.179   10.431  785.885  281.839  785.885  281.839   0.0000   0.0000   48.179   10.431  ?   ?       ?      ? 
1 1 1   15   38   -1 o   26.027   7.7567  218.772  125.353  218.772  125.353   0.0000   0.0000   26.027   7.7567  ?   ?       ?      ? 
1 1 1   15   39   -1 o   8.7226   4.3847 -286.3217   98.588   0.0000   0.0000 -286.3217   98.588  ?   ?    8.7226   4.3847      ?      ? 
1 1 1   15   40   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   41   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   42   -1 o   18.109   6.7928   88.557   96.114   0.0000   0.0000   88.557   96.114  ?   ?    18.109   6.7928      ?      ? 
1 1 1   15   43   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   44   -1 o   18.870   8.4649   7.3772  191.316   0.0000   0.0000   7.3772  191.316  ?   ?    18.870   8.4649      ?      ? 
1 1 1   15    0   -2 o  105.372   2.4647  3219.85  149.539  3161.51  213.856  3275.67  209.181  104.426   3.5552  106.317   3.4147 -0.000000 0.000000 
1 1 1   15    1   -2 o   80.142   3.4739  1960.62  136.992  2066.27  159.327  1661.02  268.293   84.554   3.2626   75.731   6.1341 8.823517 6.947817 
1 1 1   15    2   -2 f  265.441   1.8741 20464.66  271.276 20031.57  465.895 20686.82  333.675  263.281   3.0640  267.602   2.1590 -4.321289 3.748211 
1 1 1   15    3   -2 o  100.365   2.4315  2912.34  140.883  2941.13  196.936  2882.17  201.624  100.874   3.3803   99.855   3.4961 1.019539 4.863080 
1 1 1   15    4   -2 o   77.345   3.3574  1736.76  137.085  1745.71  163.750  1715.77  250.629   77.709   3.6486   76.982   5.6372 0.7274704 6.714888 
1 1 1   15    5   -2 o  208.624   1.9299 12559.01  217.603 12527.08  264.452 12625.97  382.925  208.237   2.1989  209.012   3.1722 -0.7742767 3.859775 
1 1 1   15    6   -2 o   83.801   3.4196  2139.50  141.007  1825.28  276.702  2249.73  163.883   79.377   6.0357   88.225   3.2163 -8.847458 6.839198 
1 1 1   15    7   -2 o   87.958   2.2338  2215.14  111.046  2138.77  141.919  2335.73  178.330   86.029   2.8564   89.888   3.4351 -3.859215 4.467520 
1 1 1   15    8   -2 o  188.042   1.8357 10219.04  172.010 10220.61  198.271 10214.24  345.857  188.101   1.8251  187.982   3.1856 0.1196136 3.671395 
1 1 1   15    9   -2 o  182.546   1.8720  9646.93  169.508  9595.40  342.713  9663.62  195.035  182.189   3.2570  182.902   1.8463 -0.7123718 3.743957 
1 1 1   15   10   -2 o  109.458   2.9367  3463.87  184.975  3491.67  273.982  3440.58  250.749  109.853   4.3184  109.062   3.9809 0.7904663 5.873342 
1 1 1   15   11   -2 o  205.844   1.7806 12205.95  183.953 12166.84  212.620 12322.34  366.829  205.226   1.7938  206.461   3.0764 -1.234772 3.561183 
1 1 1   15   12   -2 o  114.915   1.9461  3782.35  125.069  3952.75  206.312  3683.35  157.260  116.931   3.0550  112.900   2.4118 4.031158 3.892257 
1 1 1   15   13   -2 o  121.911   1.9574  4294.03  137.091  4315.62  204.931  4276.55  184.437  122.183   2.9041  121.640   2.6253 0.5423050 3.914874 
1 1 1   15   14   -2 o  120.588   2.3734  4222.92  153.006  4251.73  184.643  4159.78  273.344  121.283   2.6360  119.893   3.9476 1.389511 4.746781 
1 1 1   15   15   -2 o   71.353   3.2812  1491.09  125.587  1519.86  152.499  1430.45  221.385   72.477   3.6432   70.228   5.4582 2.249237 6.562398 
1 1 1   15   16   -2 o   21.513   6.3066 -22.5019  142.744  145.046  189.170 -244.0515  217.529   25.539   9.5395   17.487   8.2516 8.051306 12.61314 
1 1 1   15   17   -2 o   53.258   5.8368  832.872  173.445  674.225  234.722  1023.69  257.423   47.256   8.9274   59.260   7.5214 -12.00414 11.67351 
1 1 1   15   18   -2 o   60.180   4.0736  1072.81  137.905  944.144  213.178  1165.39  180.842   56.969   6.4791   63.391   4.9395 -6.421684 8.147291 
1 1 1   15   19   -2 o   85.917   3.2958  2135.91  163.538  2135.91  163.538   0.0000   0.0000   85.917   3.2958  ?   ?       ?      ? 
1 1 1   15   20   -2 o   29.377   7.6550  194.948  168.737  151.942  217.551  259.884  267.327   26.813   10.183   31.940   11.432 -5.126497 15.30999 
1 1 1   15   21   -2 f   38.058   8.0651  427.848  189.438  482.697  292.708  388.317  248.499   40.005   11.837   36.112   10.957 3.893341 16.13011 
1 1 1   15   22   -2 o   66.662   4.1929  1217.55  152.729  1524.35  274.150  1079.48  183.912   72.348   6.5611   60.976   5.2223 11.37129 8.385775 
1 1 1   15   23   -2 o   82.457   3.2437  1967.62  154.473  1967.62  154.473   0.0000   0.0000   82.457   3.2437  ?   ?       ?      ? 
1 1 1   15   24   -2 o   52.498   6.6973  788.887  193.465  1238.54  305.749  488.645  249.841   65.037   8.1399   39.959   10.637 25.07748 13.39457 
1 1 1   15   25   -2 o  150.746   3.3535  6578.62  291.966   0.0000   0.0000  6578.62  291.966  ?   ?   150.746   3.3535      ?      ? 
1 1 1   15   26   -2 o   74.363   4.3224  1599.29  184.881  1809.07  274.325  1424.71  250.252   78.807   6.0272   69.919   6.1972 8.888367 8.644786 
1 1 1   15   27   -2 o   88.074   4.2605  2209.26  213.212  1989.86  273.324  2550.26  340.761   82.658   5.7254   93.491   6.3110 -10.83301 8.521074 
1 1 1   15   28   -2 o   57.275   6.5648  941.149  208.112  757.899  264.489  1239.03  337.216   49.802   9.5428   64.748   9.0177 -14.94607 13.12951 
1 1 1   15   29   -2 o   32.663   8.3111  160.029  229.083 -164.0881  311.789  540.270  337.707   23.400   10.622   41.926   12.785 -18.52570 16.62221 
1 1 1   15   30   -2 o   41.009   8.9376  521.115  233.445  573.652  311.337  453.645  352.822   42.800   12.072   39.219   13.183 3.580189 17.87520 
1 1 1   15   31   -2 o  173.763   2.8727  8944.30  274.604  9363.56  344.599  8214.84  454.541  179.648   3.3213  167.878   4.6881 11.77017 5.745341 
1 1 1   15   32   -2 o  103.385   3.9799  3279.96  224.609  3715.02  287.838  2602.55  359.167  112.870   4.4155   93.901   6.6228 18.96900 7.959800 
1 1 1   15   33   -2 o   66.595   4.9627  1299.70  190.874  1299.70  190.874   0.0000   0.0000   66.595   4.9627  ?   ?       ?      ? 
1 1 1   15   34   -2 o   37.377   8.2186  429.875  195.596  332.367  254.299  571.122  306.066   33.062   11.192   41.692   12.039 -8.629967 16.43713 
1 1 1   15   35   -2 o   23.818   7.4021 -80.7595  201.945 -248.1686  270.243  130.941  303.896   19.593   9.2306   28.043   11.574 -8.450180 14.80427 
1 1 1   15   36   -2 o   27.485   6.3057  247.038  104.497   76.925  265.890  278.112  113.641   25.208   10.643   29.762   6.7647 -4.553871 12.61131 
1 1 1   15   37   -2 o   55.831   6.6606  1083.92  196.177  663.169  293.788  1422.50  263.541   43.459   11.519   68.203   6.6905 -24.74460 13.32111 
1 1 1   15   38   -2 o   29.786   6.4280  152.085  104.316   61.838  114.219  605.878  256.124   18.051   7.2247   41.521   10.634 -23.47005 12.85601 
1 1 1   15   39   -2 o   12.136   4.0616 -113.3141   75.112 -84.0177  111.702 -137.4945  101.481   13.107   6.0961   11.165   5.3690 1.942048 8.123289 
1 1 1   15   40   -2 o   14.066   6.3511 -39.9324  109.704 -39.9324  109.704   0.0000   0.0000   14.066   6.3511  ?   ?       ?      ? 
1 1 1   15   41   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   42   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   43   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   44   -2 o   22.745   10.395   44.595  305.099   0.0000   0.0000   44.595  305.099  ?   ?    22.745   10.395      ?      ? 
1 1 1   15    0   -3 f  379.840   2.5291 41694.78  554.696 42177.29  786.542 41217.35  782.391  382.027   3.5656  377.652   3.5879 -0.000000 0.000000 
1 1 1   15    1   -3 f   13.761   6.9281 -994.8491  163.197 -1146.4310  214.652 -787.2021  251.231  ?   ?    13.761   6.9281      ?      ? 
1 1 1   15    2   -3 o   36.013   7.4757  370.653  163.546  464.422  260.288  309.484  210.228   39.359   11.016   32.667   10.109 6.692089 14.95146 
1 1 1   15    3   -3 o   19.283   6.3087 -185.8141  163.338 -621.3433  329.290 -43.6837  188.111   18.794   9.1831   19.772   8.6529 -0.9777718 12.61747 
1 1 1   15    4   -3 o  205.585   1.9568 12216.78  218.448 12201.35  380.306 12224.37  266.864  205.465   3.2049  205.704   2.2463 -0.2389526 3.913671 
1 1 1   15    5   -3 o   98.278   1.8988  2788.35  106.459  2807.01  164.127  2774.80  139.877   98.557   2.8834   97.999   2.4714 0.5577774 3.797588 
1 1 1   15    6   -3 o  187.039   1.8907 10112.77  196.465 10123.35  246.299 10094.26  325.761  187.190   2.2782  186.888   3.0181 0.3020782 3.781418 
1 1 1   15    7   -3 o   73.749   2.5941  1595.04  108.701  1737.26  145.623  1416.07  163.353   77.525   3.2524   69.974   4.0421 7.551193 5.188128 
1 1 1   15    8   -3 o   37.560   6.5634  433.536  129.977  386.530  254.411  450.139  151.199   36.319   11.101   38.801   7.0049 -2.482311 13.12671 
1 1 1   15    9   -3 o   42.249   6.5344  540.028  149.973  532.253  250.964  544.347  187.045   41.884   10.418   42.613   7.8906 -0.7293892 13.06882 
1 1 1   15   10   -3 o  119.733   1.8738  4149.35  127.487  4179.03  166.370  4107.13  198.425  120.261   2.3953  119.205   2.8821 1.055557 3.747571 
1 1 1   15   11   -3 o   14.648   5.1649 -646.4114  174.585 -708.6111  241.084 -577.8248  253.159   13.804   6.9277   15.491   7.6625 -1.686757 10.32989 
1 1 1   15   12   -3 o   97.594   2.2577  2759.17  127.004  2875.60  176.714  2634.78  182.656   99.732   3.0680   95.456   3.3132 4.276581 4.515471 
1 1 1   15   13   -3 f  148.171   2.4334  6344.85  208.239  6344.85  208.239   0.0000   0.0000  148.171   2.4334  ?   ?       ?      ? 
1 1 1   15   14   -3 o   51.089   3.6837  748.615  107.811  817.643  165.685  697.926  141.980   53.103   5.4023   49.076   5.0093 4.027370 7.367363 
1 1 1   15   15   -3 o  137.944   2.3333  5503.88  185.890  5505.55  263.063  5502.22  262.714  137.965   3.3015  137.923   3.2981 0.4144287E-01 4.666586 
1 1 1   15   16   -3 o  117.371   3.0506  4006.98  205.385  3825.12  304.798  4158.23  277.968  114.898   4.5932  119.844   4.0160 -4.945976 6.101266 
1 1 1   15   17   -3 o   23.290   7.2596 -71.0752  189.195 -86.2745  285.906 -59.2344  252.349   23.820   10.537   22.759   9.9894 1.061474 14.51921 
1 1 1   15   18   -3 o  111.651   2.8029  3617.12  165.007  3592.11  302.663  3627.70  196.831  111.312   4.7080  111.990   3.0432 -0.6784897 5.605888 
1 1 1   15   19   -3 o  151.828   2.2852  6667.34  200.350  6543.92  280.190  6796.47  286.595  150.391   3.2259  153.265   3.2377 -2.873489 4.570461 
1 1 1   15   20   -3 o   74.592   3.8920  1611.38  167.670  1611.38  167.670   0.0000   0.0000   74.592   3.8920  ?   ?       ?      ? 
1 1 1   15   21   -3 o  107.008   3.2922  3321.25  200.716  3317.07  310.236  3324.25  263.232  106.913   5.0243  107.103   4.2555 -0.1901703 6.584307 
1 1 1   15   22   -3 o  137.894   2.5853  5498.21  205.890   0.0000   0.0000  5498.21  205.890  ?   ?   137.894   2.5853      ?      ? 
1 1 1   15   23   -3 f   52.242   6.2946  794.503  189.921  794.503  189.921   0.0000   0.0000   52.242   6.2946  ?   ?       ?      ? 
1 1 1   15   24   -3 o  187.071   2.5860 10178.08  277.748 10616.95  378.033  9663.27  409.434  191.506   3.4179  182.637   3.8816 8.869095 5.171941 
1 1 1   15   25   -3 o  205.992   2.1582 12120.68  230.127 11927.08  269.866 12636.70  440.580  203.109   2.3006  208.875   3.6522 -5.765411 4.316373 
1 1 1   15   26   -3 o   27.284   11.401   53.591  300.092   0.0000   0.0000   53.591  300.092  ?   ?    27.284   11.401      ?      ? 
1 1 1   15   27   -3 o   77.331   4.9366  1738.01  220.478   0.0000   0.0000  1738.01  220.478  ?   ?    77.331   4.9366      ?      ? 
1 1 1   15   28   -3 o   55.862   7.6296  1065.67  230.645  1423.12  298.403  535.215  363.511   69.641   7.4191   42.084   13.334 27.55760 15.25910 
1 1 1   15   29   -3 o   77.685   5.4503  1849.75  232.318  2083.56  298.819  1492.48  369.377   84.422   6.1287   70.948   9.0145 13.47392 10.90059 
1 1 1   15   30   -3 o   36.137   7.8101  426.857  190.014  557.773  221.632   63.681  369.142   42.489   9.2907   29.786   12.557 12.70287 15.62013 
1 1 1   15   31   -3 o  247.492   2.5279 17820.73  356.980 18014.03  471.205 17560.35  546.901  249.181   3.2742  245.803   3.8524 3.377533 5.055878 
1 1 1   15   32   -3 o   69.594   5.1230  1403.59  181.695  1367.29  210.910  1508.06  357.811   68.308   5.3462   70.880   8.7407 -2.572342 10.24602 
1 1 1   15   33   -3 o   70.876   5.3354  1516.08  213.971  1585.69  280.355  1418.98  331.149   73.115   6.6393   68.637   8.3538 4.477997 10.67077 
1 1 1   15   34   -3 o  ?   ?  -810.0280  199.496 -810.0280  199.496   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   15   35   -3 o   36.354   6.4287  474.673  103.700  263.082  303.223  502.698  110.354   31.383   11.997   41.326   4.6236 -9.943039 12.85736 
1 1 1   15   36   -3 o   28.892   7.3638  247.836  157.175  276.593  204.894  206.719  245.003   29.733   10.046   28.050   10.770 1.683189 14.72766 
1 1 1   15   37   -3 o   47.386   3.8494  661.349  105.349   0.0000   0.0000  661.349  105.349  ?   ?    47.386   3.8494      ?      ? 
1 1 1   15   38   -3 o   17.452   5.2545   24.771   91.761 -647.8707  293.824   97.464   96.592   15.977   7.9616   18.928   6.8596 -2.950890 10.50909 
1 1 1   15   39   -3 o   19.960   5.8597   66.911  106.714   77.013  130.092   46.130  186.582   19.264   7.7103   20.656   8.8258 -1.392540 11.71937 
1 1 1   15   40   -3 o   44.915   4.0805  640.046   96.395  672.755  116.892  570.520  170.421   47.403   4.2696   42.427   6.9550 4.976688 8.161018 
1 1 1   15   41   -3 o   22.187   6.2746  102.909  106.362   70.996  121.754  205.727  218.543   18.468   7.4353   25.906   10.109 -7.437771 12.54919 
1 1 1   15   42   -3 o   18.868   8.3421   7.0456  179.012   0.0000   0.0000   7.0456  179.012  ?   ?    18.868   8.3421      ?      ? 
1 1 1   15   43   -3 o   18.873   6.2464 -39.3856  105.972 -55.9133  112.711   86.550  311.125   13.611   6.2566   24.135   10.813 -10.52454 12.49271 
1 1 1   15    0   -4 o  198.446   1.9680 11495.57  205.747 11104.37  375.000 11664.05  246.095  195.967   3.3155  200.925   2.1213 -0.000000 0.000000 
1 1 1   15    1   -4 o  216.927   1.9459 13682.87  223.895 13815.94  268.693 13380.58  404.973  218.691   2.1274  215.163   3.2589 3.527878 3.891814 
1 1 1   15    2   -4 o  108.695   2.8004  3498.67  140.782  3278.91  309.089  3556.19  158.137  106.445   5.0277  110.944   2.4680 -4.499016 5.600831 
1 1 1   15    3   -4 o  133.458   2.1676  5138.89  145.271  5130.16  168.023  5164.73  289.110  133.260   2.1831  133.655   3.7453 -0.3952484 4.335176 
1 1 1   15    4   -4 o   38.105   7.0947  420.039  153.049  370.864  189.779  511.517  258.841   35.078   9.2393   41.132   10.769 -6.054302 14.18945 
1 1 1   15    5   -4 o   63.663   3.6474  1176.02  133.695  1130.15  194.545  1217.06  184.040   62.477   5.3915   64.850   4.9138 -2.372238 7.294814 
1 1 1   15    6   -4 o  181.760   1.4630  9520.45  150.732  9423.80  194.794  9664.67  237.962  180.620   1.8674  182.900   2.2527 -2.280243 2.926055 
1 1 1   15    7   -4 o   60.865   4.3286  1068.70  145.721  1056.62  181.127  1090.85  245.355   60.411   5.1914   61.320   6.9280 -0.9084511 8.657240 
1 1 1   15    8   -4 o   19.004   5.4575  -1.9907  100.831 -109.8296  137.400  123.859  148.431   14.887   6.8669   23.120   8.4843 -8.232939 10.91500 
1 1 1   15    9   -4 o  104.058   2.1052  3127.89  126.402  3171.34  183.291  3088.49  174.549  104.745   3.0299  103.371   2.9237 1.373863 4.210476 
1 1 1   15   10   -4 o   45.369   4.3744  589.922  113.885  661.997  173.405  535.255  151.020   47.774   6.2847   42.964   6.0862 4.810089 8.748725 
1 1 1   15   11   -4 o   73.640   3.2391  1567.92  137.759  1567.92  137.759   0.0000   0.0000   73.640   3.2391  ?   ?       ?      ? 
1 1 1   15   12   -4 o   61.931   4.4721  1140.77  144.679  1180.92  172.989  1047.30  263.918   63.860   4.6903   60.003   7.6157 3.857315 8.944194 
1 1 1   15   13   -4 o   37.598   8.2001  427.704  173.048  427.704  173.048   0.0000   0.0000   37.598   8.2001  ?   ?       ?      ? 
1 1 1   15   14   -4 o  125.789   2.7867  4574.35  202.449   0.0000   0.0000  4574.35  202.449  ?   ?   125.789   2.7867      ?      ? 
1 1 1   15   15   -4 o  130.038   2.7911  4863.88  208.906  5287.16  311.424  4517.58  281.685  135.146   3.9899  124.930   3.9040 10.21577 5.582192 
1 1 1   15   16   -4 o  107.571   3.0222  3346.54  187.760   0.0000   0.0000  3346.54  187.760  ?   ?   107.571   3.0222      ?      ? 
1 1 1   15   17   -4 o   94.040   2.9374  2513.28  151.831  2411.38  186.121  2715.99  262.510   91.283   3.5304   96.797   4.6957 -5.514099 5.874794 
1 1 1   15   18   -4 o  118.954   2.7215  4096.87  186.927  4087.00  261.404  4107.20  267.408  118.811   3.8095  119.097   3.8876 -0.2867508 5.443003 
1 1 1   15   19   -4 o  147.821   2.5789  6349.26  217.553  6165.81  331.776  6487.64  288.150  145.910   3.9371  149.732   3.3321 -3.821213 5.157853 
1 1 1   15   20   -4 o   42.311   6.4560  569.230  169.839  942.771  233.037  146.033  248.042   56.863   7.0960   27.760   10.787 29.10236 12.91206 
1 1 1   15   21   -4 o   96.192   4.6214  2683.18  256.743   0.0000   0.0000  2683.18  256.743  ?   ?    96.192   4.6214      ?      ? 
1 1 1   15   22   -4 o  104.350   2.7690  3132.14  160.162  3231.56  269.053  3077.58  199.327  105.581   4.4123  103.120   3.3469 2.461243 5.538052 
1 1 1   15   23   -4 o  136.317   2.5434  5496.88  175.991  5631.74  206.150  5134.45  337.951  139.557   2.5577  133.078   4.3971 6.478958 5.086837 
1 1 1   15   24   -4 o  117.416   3.2707  3990.38  221.796   0.0000   0.0000  3990.38  221.796  ?   ?   117.416   3.2707      ?      ? 
1 1 1   15   25   -4 o   99.881   3.0287  2886.93  174.715  2886.93  174.715   0.0000   0.0000   99.881   3.0287  ?   ?       ?      ? 
1 1 1   15   26   -4 o  118.180   3.8671  4181.14  255.792  4745.30  338.705  3432.28  390.231  127.858   4.5868  108.503   6.2272 19.35497 7.734139 
1 1 1   15   27   -4 o  197.135   2.7657 11279.10  314.470 11508.23  436.451 11031.73  453.495  199.243   3.7929  195.027   4.0262 4.216354 5.531361 
1 1 1   15   28   -4 o  116.396   3.5492  3927.08  238.588  3927.08  238.588   0.0000   0.0000  116.396   3.5492  ?   ?       ?      ? 
1 1 1   15   29   -4 o   34.184   8.6428  275.691  194.340  223.236  225.272  428.327  384.273   29.296   10.494   39.072   13.736 -9.775707 17.28567 
1 1 1   15   30   -4 o  153.801   3.0274  6831.30  263.351  6650.32  337.654  7112.35  420.787  151.320   3.8636  156.283   4.6619 -4.963974 6.054821 
1 1 1   15   31   -4 o   89.664   4.3123  2403.31  192.295  2447.50  222.732  2273.98  381.071   91.699   4.2057   87.629   7.5296 4.069710 8.624558 
1 1 1   15   32   -4 o  121.299   2.3071  4274.85  161.530  4342.77  225.799  4203.66  231.171  122.300   3.1968  120.298   3.3273 2.001923 4.614122 
1 1 1   15   33   -4 o   32.659   8.4570  257.078  227.120  471.016  306.011  -5.3069  338.893   38.510   12.238   26.807   11.676 11.70347 16.91397 
1 1 1   15   34   -4 o   35.962   6.3710  406.878  134.010  524.919  195.935  303.125  183.695   40.818   8.5836   31.107   9.4169 9.711264 12.74192 
1 1 1   15   35   -4 o   15.432   5.3723 -359.4998  132.815 -419.5191  155.609 -198.4645  254.889   11.298   5.6549   19.565   9.1360 -8.267304 10.74452 
1 1 1   15   36   -4 o   52.074   6.9047  904.710  199.037  1174.50  277.651  619.503  285.474   61.669   7.7956   42.480   11.399 19.18910 13.80943 
1 1 1   15   37   -4 o   19.922   5.9224   21.382  109.081 -26.6169  131.727  126.110  194.577   16.107   7.1371   23.736   9.4531 -7.628817 11.84476 
1 1 1   15   38   -4 o   12.312   4.3385 -328.9697  111.498 -206.8743  125.415 -789.3400  243.531   11.760   5.7286   12.865   6.5173 -1.105208 8.677088 
1 1 1   15   39   -4 o   31.564   4.7447  404.988  122.627  668.388  142.126 -362.2513  242.566   46.926   5.2441   16.202   7.9088 30.72457 9.489480 
1 1 1   15   40   -4 o   24.339   5.7411  204.977  114.755  302.736  123.910 -384.2095  304.196   30.286   7.1913   18.393   8.9514 11.89311 11.48223 
1 1 1   15   41   -4 o   46.703   6.5054  779.068  127.519  791.997  139.793  714.986  311.219   51.109   4.7359   42.297   12.118 8.812580 13.01075 
1 1 1   15   42   -4 o   26.241   7.0758  218.712  126.005  219.915  137.533  212.429  314.417   25.358   8.2196   27.124   11.520 -1.766180 14.15155 
1 1 1   15   43   -4 o   34.697   5.9015  479.095  114.483  544.144  132.509  287.604  227.352   41.655   5.5080   27.740   10.439 13.91461 11.80309 
1 1 1   15    0   -5 o  ?   ?  -1401.1610  197.389   0.0000   0.0000 -1401.1610  197.389  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   15    1   -5 o  305.189   1.9535 27049.12  325.183 26501.23  558.348 27330.35  400.028  302.804   3.1927  307.573   2.2519 -4.769135 3.906988 
1 1 1   15    2   -5 o  135.896   2.2810  5354.50  171.987  5277.57  285.096  5398.51  215.645  135.109   3.6536  136.684   2.7317 -1.574768 4.561934 
1 1 1   15    3   -5 o  144.170   2.3854  5993.17  187.039  5963.60  228.541  6053.15  325.486  143.658   2.7545  144.683   3.8952 -1.025314 4.770759 
1 1 1   15    4   -5 o  113.442   1.8965  3735.17  119.153  3777.74  149.168  3660.11  198.054  114.350   2.2587  112.534   3.0473 1.815994 3.793098 
1 1 1   15    5   -5 o  233.574   1.8583 15680.39  232.876 15538.97  280.741 15992.34  416.963  231.923   2.0959  235.226   3.0692 -3.303345 3.716583 
1 1 1   15    6   -5 o   88.958   3.4092  2233.01  160.443  2152.22  190.110  2432.97  299.096   86.270   3.8156   91.647   5.6508 -5.376976 6.818362 
1 1 1   15    7   -5 o   16.519   7.3986 -66.1422  145.532   0.0000   0.0000 -66.1422  145.532  ?   ?    16.519   7.3986      ?      ? 
1 1 1   15    8   -5 o   78.009   3.4055  1763.34  144.970  1766.90  178.055  1756.35  249.688   78.158   3.9446   77.861   5.5525 0.2964172 6.811030 
1 1 1   15    9   -5 o  114.988   2.3442  3809.32  153.316  3899.35  239.824  3747.10  199.379  116.121   3.5760  113.854   3.0321 2.266769 4.688438 
1 1 1   15   10   -5 o   41.184   4.9389  477.065  112.358  404.548  140.695  604.735  186.681   36.739   6.8837   45.628   7.0841 -8.889126 9.877731 
1 1 1   15   11   -5 o   69.976   4.0837  1446.06  152.367  1491.05  184.715  1350.29  269.528   71.769   4.4564   68.183   6.8445 3.585182 8.167377 
1 1 1   15   12   -5 o   25.858   6.8324  125.747  126.290   87.086  148.786  225.394  238.866   21.621   8.3678   30.096   10.803 -8.474716 13.66480 
1 1 1   15   13   -5 o   67.588   3.5860  1301.12  122.010  1278.12  140.777  1370.54  244.582   66.466   3.6673   68.710   6.1634 -2.243462 7.171962 
1 1 1   15   14   -5 o  161.467   1.6977  7431.32  140.746  7762.19  273.201  7311.78  164.214  163.849   2.8870  159.085   1.7873 4.763901 3.395498 
1 1 1   15   15   -5 o  199.958   1.6821 11608.09  171.029 11447.42  332.332 11665.97  199.471  198.970   2.8920  200.947   1.7188 -1.976563 3.364198 
1 1 1   15   16   -5 o   65.443   4.7365  1241.41  179.023  1241.41  179.023   0.0000   0.0000   65.443   4.7365  ?   ?       ?      ? 
1 1 1   15   17   -5 o   45.901   6.6451  613.145  176.158   0.0000   0.0000  613.145  176.158  ?   ?    45.901   6.6451      ?      ? 
1 1 1   15   18   -5 f   64.130   3.9421  1167.06  141.990  1309.22  234.674  1084.96  178.339   67.107   6.0550   61.152   5.0495 5.954815 7.884159 
1 1 1   15   19   -5 o   35.033   8.1149  335.022  188.390  447.438  294.634  257.277  245.021   38.802   11.961   31.263   10.970 7.538696 16.22971 
1 1 1   15   20   -5 o   52.567   4.7673  799.744  130.054  793.043  153.097  817.116  246.501   52.274   5.0710   52.861   8.0742 -0.5861855 9.534572 
1 1 1   15   21   -5 o   49.967   6.4834  751.898  179.846  803.734  264.999  707.637  244.872   51.582   9.2345   48.352   9.1028 3.229580 12.96676 
1 1 1   15   22   -5 o  105.640   2.7702  3255.41  164.688  3127.81  261.661  3339.11  211.929  103.875   4.3616  107.406   3.4165 -3.530647 5.540359 
1 1 1   15   23   -5 o  221.962   2.2293 14241.75  285.779   0.0000   0.0000 14241.75  285.779  ?   ?   221.962   2.2293      ?      ? 
1 1 1   15   24   -5 o   64.881   10.130  1243.01  379.594   0.0000   0.0000  1243.01  379.594  ?   ?    64.881   10.130      ?      ? 
1 1 1   15   25   -5 o  134.430   3.4795  5195.90  268.774  4703.74  359.156  5822.35  405.203  127.272   4.8861  141.588   4.9552 -14.31586 6.959047 
1 1 1   15   26   -5 o  199.374   2.5568 11553.52  293.432 12183.93  406.573 10868.16  423.923  205.101   3.4323  193.647   3.7904 11.45427 5.113526 
1 1 1   15   27   -5 o  148.052   3.1178  6346.80  266.592  6346.80  266.592   0.0000   0.0000  148.052   3.1178  ?   ?       ?      ? 
1 1 1   15   28   -5 o   71.298   5.8961  1483.74  242.789  1483.74  242.789   0.0000   0.0000   71.298   5.8961  ?   ?       ?      ? 
1 1 1   15   29   -5 o  129.086   3.7909  4826.43  281.637  4404.24  380.397  5338.61  418.984  122.882   5.3600  135.290   5.3622 -12.40772 7.581746 
1 1 1   15   30   -5 o   67.918   7.1205  1460.10  259.637  1775.02  349.519  1072.37  387.824   77.460   7.8129   58.376   11.907 19.08355 14.24104 
1 1 1   15   31   -5 o   63.060   4.8665  1161.06  177.238   0.0000   0.0000  1161.06  177.238  ?   ?    63.060   4.8665      ?      ? 
1 1 1   15   32   -5 o   27.052   7.3783 -308.5171  229.369 -1073.5740  322.061  478.946  326.743   14.961   7.5695   39.143   12.667 -24.18216 14.75659 
1 1 1   15   33   -5 o   47.857   6.1319  709.948  153.340  693.328  271.788  717.708  185.722   46.556   10.373   49.159   6.5415 -2.602295 12.26379 
1 1 1   15   34   -5 o   56.174   5.9570  937.142  193.263  937.142  193.263   0.0000   0.0000   56.174   5.9570  ?   ?       ?      ? 
1 1 1   15   35   -5 o   18.894   6.0848 -21.1685  106.970 -166.6607  293.405   1.1350  114.877   21.736   10.029   16.052   6.8936 5.684067 12.16965 
1 1 1   15   36   -5 o   38.156   8.1397  499.642  193.867  518.829  285.994  483.329  263.700   38.722   11.756   37.590   11.261 1.131950 16.27947 
1 1 1   15   37   -5 o   15.864   5.1315 -97.0446  110.023   0.4040  136.636 -276.7425  185.545   17.171   7.4462   14.557   7.0629 2.613749 10.26305 
1 1 1   15   38   -5 o   12.095   4.1566 -239.4850   93.480 -368.8869  131.996 -109.2769  132.407   10.183   5.1127   14.008   6.5552 -3.824246 8.313229 
1 1 1   15   39   -5 o   29.604   7.2949  247.984  120.160  217.894  130.542  414.891  307.455   25.724   7.9671   33.485   12.222 -7.761044 14.58981 
1 1 1   15   40   -5 o   22.016   6.7121   73.951  119.192   71.904  129.242   85.602  308.302   18.894   7.6416   25.137   11.037 -6.242243 13.42428 
1 1 1   15   41   -5 o   52.774   6.2254  875.019  189.747   0.0000   0.0000  875.019  189.747  ?   ?    52.774   6.2254      ?      ? 
1 1 1   15   42   -5 o   17.527   8.1218 -86.7809  195.479   0.0000   0.0000 -86.7809  195.479  ?   ?    17.527   8.1218      ?      ? 
1 1 1   15   43   -5 o   61.712   5.3482  1191.22  190.617   0.0000   0.0000  1191.22  190.617  ?   ?    61.712   5.3482      ?      ? 
1 1 1   15    0   -6 o  181.178   2.8286  9489.56  295.821   0.0000   0.0000  9489.56  295.821  181.178   2.8286  181.178   2.8286 -0.000000 0.000000 
1 1 1   15    1   -6 o  184.397   1.5173  9823.92  161.577  9909.52  227.659  9737.03  229.359  185.207   2.1283  183.587   2.1632 1.620239 3.034658 
1 1 1   15    2   -6 o   87.551   3.1948  2299.48  150.427  2468.07  185.982  1980.53  255.809   92.396   3.4852   82.705   5.3555 9.691437 6.389688 
1 1 1   15    3   -6 o   69.630   3.2156  1312.87  115.940  1211.87  134.329  1607.86  229.577   64.742   3.5925   74.518   5.3344 -9.776108 6.431295 
1 1 1   15    4   -6 o  304.278   1.7826 26744.25  313.256   0.0000   0.0000 26744.25  313.256  ?   ?   304.278   1.7826      ?      ? 
1 1 1   15    5   -6 o  116.989   2.6438  3955.02  178.633  3955.02  178.633   0.0000   0.0000  116.989   2.6438  ?   ?       ?      ? 
1 1 1   15    6   -6 o   12.098   4.2864 -514.3936  127.451 -523.0984  175.681 -504.7222  185.179   11.738   5.8940   12.457   6.2253 -0.7191257 8.572834 
1 1 1   15    7   -6 o   43.861   6.6866  558.180  169.381  558.180  169.381   0.0000   0.0000   43.861   6.6866  ?   ?       ?      ? 
1 1 1   15    8   -6 o   58.392   6.0338  989.574  203.060  1083.37  295.635  905.798  279.392   61.012   8.3899   55.773   8.6737 5.238808 12.06752 
1 1 1   15    9   -6 o   14.463   4.9075 -238.2161  116.564 -247.7438  154.163 -225.4986  178.110   13.498   6.5225   15.427   7.3342 -1.928118 9.814987 
1 1 1   15   10   -6 o   82.966   3.0426  2028.73  141.147  1833.53  223.920  2157.43  181.817   79.567   4.8728   86.365   3.6451 -6.797829 6.085299 
1 1 1   15   11   -6 o   79.074   3.1649  1788.84  142.415  1931.88  224.667  1692.75  184.137   81.672   4.7630   76.477   4.1689 5.195145 6.329809 
1 1 1   15   12   -6 o   77.185   3.2804  1676.56  133.929  1608.22  158.527  1846.97  250.325   74.557   3.6815   79.813   5.4306 -5.255432 6.560870 
1 1 1   15   13   -6 o  173.263   1.9576  8722.18  186.060  8820.07  230.324  8538.32  315.659  174.700   2.2828  171.825   3.1809 2.874710 3.915221 
1 1 1   15   14   -6 o  134.562   2.1976  5283.67  162.623  5395.60  202.419  5079.92  273.111  136.622   2.5653  132.502   3.5689 4.120148 4.395224 
1 1 1   15   15   -6 o  160.714   1.9063  7506.44  174.854  7743.48  232.301  7196.59  265.590  163.672   2.4575  157.755   2.9150 5.917343 3.812692 
1 1 1   15   16   -6 o   15.660   5.4260 -461.3805  166.231 -817.0253  290.674 -288.5425  202.637   15.375   7.7004   15.946   7.6466 -0.5706482 10.85206 
1 1 1   15   17   -6 o   71.534   3.9605  1508.80  160.350  1351.41  244.893  1626.92  212.154   68.172   6.2199   74.897   4.9046 -6.725128 7.921023 
1 1 1   15   18   -6 f  172.609   2.1908  8567.47  200.919  8488.62  240.311  8750.58  366.233  171.357   2.4282  173.860   3.6473 -2.503555 4.381667 
1 1 1   15   19   -6 o   72.602   4.1601  1527.19  174.437  1527.19  174.437   0.0000   0.0000   72.602   4.1601  ?   ?       ?      ? 
1 1 1   15   20   -6 f   21.465   8.9286   32.354  182.878   32.354  182.878   0.0000   0.0000   21.465   8.9286  ?   ?       ?      ? 
1 1 1   15   21   -6 o   13.395   6.6183 -417.9577  187.003 -417.9577  187.003   0.0000   0.0000   13.395   6.6183  ?   ?       ?      ? 
1 1 1   15   22   -6 o   52.947   5.0544  814.567  150.635  802.886  191.976  833.282  242.988   52.514   6.3297   53.380   7.8817 -0.8655853 10.10874 
1 1 1   15   23   -6 o  168.931   2.2604  8233.60  200.498  8319.54  372.032  8198.42  238.021  169.475   3.8009  168.388   2.4475 1.087082 4.520751 
1 1 1   15   24   -6 o   19.635   6.7958 -474.3455  186.140 -531.6899  210.554 -269.1918  398.252   13.610   6.7750   25.660   11.783 -12.05016 13.59151 
1 1 1   15   25   -6 o   64.940   5.8615  1227.88  219.841  1227.88  219.841   0.0000   0.0000   64.940   5.8615  ?   ?       ?      ? 
1 1 1   15   26   -6 o  242.589   2.5228 17060.49  353.254 17480.06  495.393 16626.43  503.868  245.642   3.4919  239.535   3.6422 6.106491 5.045678 
1 1 1   15   27   -6 o   66.544   7.7762  1349.73  277.022  727.001  372.034  2124.66  415.017   48.183   13.048   84.905   8.4635 -36.72169 15.55235 
1 1 1   15   28   -6 o   55.500   6.6580  902.176  213.414  902.176  213.414   0.0000   0.0000   55.500   6.6580  ?   ?       ?      ? 
1 1 1   15   29   -6 o   65.628   7.3523  1333.62  265.581  1471.43  354.252  1156.77  401.311   70.415   8.7108   60.841   11.847 9.573849 14.70469 
1 1 1   15   30   -6 o   80.336   5.5000  1905.43  254.578  1834.41  345.992  1989.28  375.923   78.751   7.6072   81.920   7.9455 -3.168831 11.00000 
1 1 1   15   31   -6 o  117.571   3.3391  4013.67  225.279  4221.48  341.683  3853.86  299.629  120.193   4.9222  114.949   4.5133 5.244659 6.678162 
1 1 1   15   32   -6 o   46.924   7.4346  656.410  201.482  656.410  201.482   0.0000   0.0000   46.924   7.4346  ?   ?       ?      ? 
1 1 1   15   33   -6 o   46.491   6.0297  450.762  145.707  1348.01  309.116  194.459  165.212   66.837   8.0079   26.145   9.0169 40.69229 12.05944 
1 1 1   15   34   -6 o   32.775   6.2156 -102.4593  203.365  868.692  297.871 -950.3444  278.326   51.847   10.311   13.703   6.9445 38.14469 12.43115 
1 1 1   15   35   -6 o   19.774   6.2334 -17.5408  130.546 -250.6875  290.306   41.555  146.157   20.318   9.5706   19.230   7.9890 1.087921 12.46679 
1 1 1   15   36   -6 o   24.636   7.1930   29.529  164.921  281.794  283.310 -99.7710  202.830   30.799   11.639   18.473   8.4554 12.32564 14.38605 
1 1 1   15   37   -6 o   45.647   7.9890  738.787  208.827  731.700  281.990  747.395  310.752   45.736   10.841   45.559   11.738 0.1768570 15.97806 
1 1 1   15   38   -6 o   9.9239   5.0146 -441.6317  138.619   0.0000   0.0000 -441.6317  138.619  ?   ?    9.9239   5.0146      ?      ? 
1 1 1   15   39   -6 o   11.485   4.1499 -494.5048  118.062 -407.4540  133.225 -812.9363  254.805   9.8603   4.9744   13.109   6.6439 -3.249061 8.299788 
1 1 1   15   40   -6 o   21.550   5.6477  129.914   95.493   78.728  135.617  180.248  134.484   19.396   7.8337   23.703   8.1375 -4.306402 11.29539 
1 1 1   15   41   -6 o   39.940   8.0274  541.528  178.745   0.0000   0.0000  541.528  178.745  ?   ?    39.940   8.0274      ?      ? 
1 1 1   15   42   -6 o   11.721   4.0277 -177.4372   85.288 -188.1044  129.785 -169.3295  113.149   12.132   5.8912   11.310   5.4939 0.8224430 8.055338 
1 1 1   15   43   -6 o   17.255   5.8917 -122.1504  132.748 -106.1188  145.753 -200.1561  321.508   14.439   6.7951   20.071   9.6267 -5.632488 11.78339 
1 1 1   15    0   -7 o   91.608   3.6475  2449.76  190.446  2797.81  274.087  2124.85  264.814   98.013   4.8694   85.204   5.4320 -0.000000 0.000000 
1 1 1   15    1   -7 o  145.290   1.7016  6100.08  142.767  6197.62  201.486  6001.72  202.322  146.458   2.3820  144.123   2.4307 2.334930 3.403259 
1 1 1   15    2   -7 o   91.663   2.9121  2427.25  153.926  2624.38  221.728  2243.86  213.853   95.254   4.0304   88.072   4.2043 7.182167 5.824140 
1 1 1   15    3   -7 o   16.191   7.8625 -654.4960  138.893 -398.6458  231.248 -798.8798  173.718   16.191   7.8625  ?   ?       ?      ? 
1 1 1   15    4   -7 o  202.355   1.7786 11882.57  198.235 11663.80  333.653 12001.93  246.449  200.889   2.8758  203.821   2.0936 -2.932144 3.557132 
1 1 1   15    5   -7 o  155.535   2.0422  6981.86  170.944  6964.26  206.960  7019.64  303.250  155.252   2.3082  155.818   3.3697 -0.5662231 4.084455 
1 1 1   15    6   -7 o  250.766   1.7253 18013.52  214.184 18476.79  437.638 17867.61  245.609  252.826   2.9971  248.706   1.7099 4.120255 3.450606 
1 1 1   15    7   -7 o  154.113   2.3471  6869.92  208.803  6755.33  298.386  6979.87  292.292  152.849   3.3801  155.376   3.2572 -2.526733 4.694110 
1 1 1   15    8   -7 o  101.535   2.5854  2996.48  145.719  2927.76  240.721  3036.22  183.073  100.589   4.1436  102.481   3.0931 -1.892395 5.170785 
1 1 1   15    9   -7 o   98.078   3.1083  2774.54  175.061  2696.74  233.946  2873.54  263.899   96.531   4.1963   99.624   4.5866 -3.093071 6.216517 
1 1 1   15   10   -7 o   64.366   4.2812  1199.24  159.150  1199.24  159.150   0.0000   0.0000   64.366   4.2812  ?   ?       ?      ? 
1 1 1   15   11   -7 o   18.454   7.9792 -19.3473  155.972 -19.3473  155.972   0.0000   0.0000   18.454   7.9792  ?   ?       ?      ? 
1 1 1   15   12   -7 o   59.889   3.9435  1038.09  136.400  1038.09  136.400   0.0000   0.0000   59.889   3.9435  ?   ?       ?      ? 
1 1 1   15   13   -7 o  106.623   3.4315  3288.84  211.308  3288.84  211.308   0.0000   0.0000  106.623   3.4315  ?   ?       ?      ? 
1 1 1   15   14   -7 o  100.914   2.7741  2980.84  157.476  2794.93  248.721  3105.23  203.447   98.227   4.3843  103.601   3.4002 -5.373543 5.548256 
1 1 1   15   15   -7 o   42.881   5.6944  549.596  135.412  610.361  202.032  500.032  182.462   45.066   8.0579   40.695   8.0484 4.371338 11.38887 
1 1 1   15   16   -7 o   99.429   2.5828  2896.41  137.108  2769.32  243.597  2955.35  165.878   97.766   4.3142  101.091   2.8411 -3.325096 5.165658 
1 1 1   15   17   -7 o  136.723   1.7475  5407.34  137.616  5359.80  201.731  5448.72  188.208  136.155   2.5654  137.291   2.3736 -1.136841 3.495043 
1 1 1   15   18   -7 o  170.169   2.4258  8362.89  238.044  8697.01  348.509  8070.68  325.915  173.343   3.4811  166.996   3.3792 6.347244 4.851534 
1 1 1   15   19   -7 o   29.532   7.7035  207.981  173.981   80.349  298.106  273.911  214.256   27.924   11.487   31.139   10.268 -3.215513 15.40708 
1 1 1   15   20   -7 o  140.110   2.7183  5709.88  206.953  5612.44  358.252  5758.68  253.535  139.139   4.4582  141.081   3.1116 -1.942368 5.436646 
1 1 1   15   21   -7 o   67.332   5.2163  1316.34  202.847  1316.34  202.847   0.0000   0.0000   67.332   5.2163  ?   ?       ?      ? 
1 1 1   15   22   -7 o   61.159   4.0630  1088.27  142.734  1080.46  212.822  1094.65  192.427   60.937   6.0472   61.381   5.4281 -0.4438515 8.126045 
1 1 1   15   23   -7 o  113.451   3.6333  3727.51  238.065  3727.51  238.065   0.0000   0.0000  113.451   3.6333  ?   ?       ?      ? 
1 1 1   15   24   -7 o   65.891   6.3408  1473.13  181.230  1615.44  207.075  1007.41  374.608   74.595   4.8066   57.187   11.735 17.40752 12.68163 
1 1 1   15   25   -7 o  188.046   2.7943 10219.53  289.258 10147.47  357.887 10355.30  491.220  187.201   3.3102  188.890   4.5028 -1.688751 5.588599 
1 1 1   15   26   -7 o  136.871   3.5836  5291.18  276.860  4762.25  349.692  6179.65  453.215  128.030   4.7292  145.713   5.3854 -17.68298 7.167177 
1 1 1   15   27   -7 o   31.279   8.3313  214.995  215.213  351.873  264.927 -50.6020  369.038   34.784   11.415   27.775   12.138 7.008480 16.66262 
1 1 1   15   28   -7 o   86.048   5.5294  2017.02  252.004  1113.78  315.940  3596.70  417.817   61.287   8.9259  110.809   6.5287 -49.52251 11.05875 
1 1 1   15   29   -7 o   94.092   4.6392  2573.55  246.055  2486.76  313.093  2713.73  397.906   92.188   5.8805   95.996   7.1770 -3.807968 9.278410 
1 1 1   15   30   -7 o   46.354   6.0890  630.700  163.013   0.0000   0.0000  630.700  163.013  ?   ?    46.354   6.0890      ?      ? 
1 1 1   15   31   -7 o   55.567   6.9053  985.783  209.362  1246.21  287.058  689.826  306.015   64.701   7.6820   46.433   11.477 18.26826 13.81053 
1 1 1   15   32   -7 o   29.027   7.1977   66.724  189.351  507.225  276.582 -321.8591  259.772   39.749   11.434   18.304   8.7454 21.44485 14.39536 
1 1 1   15   33   -7 o   13.006   6.5290 -611.1664  215.004   0.0000   0.0000 -611.1664  215.004  ?   ?    13.006   6.5290      ?      ? 
1 1 1   15   34   -7 f   58.523   3.4844  999.852  117.771   0.0000   0.0000  999.852  117.771  ?   ?    58.523   3.4844      ?      ? 
1 1 1   15   35   -7 o   75.940   4.8660  1708.45  213.417   0.0000   0.0000  1708.45  213.417  ?   ?    75.940   4.8660      ?      ? 
1 1 1   15   36   -7 o   13.501   4.8073 -352.3164  121.279 -659.0311  285.249 -284.6378  133.993   15.682   7.8193   11.320   5.5946 4.362066 9.614596 
1 1 1   15   37   -7 f   19.492   6.2738 -77.2131  111.276  115.305  279.797 -113.3839  121.279   25.796   10.906   13.189   6.2043 12.60716 12.54762 
1 1 1   15   38   -7 o   32.210   7.3640  331.032  130.676  312.967  143.718  417.225  313.929   30.628   8.0274   33.792   12.348 -3.164211 14.72793 
1 1 1   15   39   -7 o   35.335   7.1768  452.204  138.498  462.153  154.298  410.952  314.192   37.534   7.3810   33.136   12.310 4.398106 14.35362 
1 1 1   15   40   -7 o   26.206   5.8705  228.127  100.184  185.857  136.136  278.064  147.966   23.950   8.1881   28.461   8.4146 -4.511759 11.74094 
1 1 1   15   41   -7 o   26.222   6.6033  224.359  116.341  212.401  135.801  257.344  225.551   25.061   8.1702   27.383   10.376 -2.322502 13.20664 
1 1 1   15   42   -7 o   11.175   4.0106 -494.9842  117.156 -525.5897  147.702 -443.0613  192.383   9.6716   4.9176   12.678   6.3369 -3.006130 8.021151 
1 1 1   15   43   -7 o   11.896   5.8154 -207.7811  132.564   0.0000   0.0000 -207.7811  132.564  ?   ?    11.896   5.8154      ?      ? 
1 1 1   15    0   -8 o  254.163   2.0926 18662.42  307.123 18662.42  307.123   0.0000   0.0000  254.163   2.0926  254.163   2.0926 -0.000000 0.000000 
1 1 1   15    1   -8 o   99.457   3.0531  2859.40  174.971  2823.23  238.787  2901.34  257.122   98.785   4.1854  100.130   4.4462 -1.345253 6.106234 
1 1 1   15    2   -8 o  195.949   2.1828 11090.91  246.864 10883.33  341.884 11317.03  356.833  194.038   3.0508  197.861   3.1226 -3.823654 4.365526 
1 1 1   15    3   -8 o  124.706   2.2426  4458.81  154.803  4369.39  192.188  4624.01  261.217  122.959   2.7063  126.453   3.5767 -3.494164 4.485231 
1 1 1   15    4   -8 o   22.866   8.7517  103.391  161.472   0.0000   0.0000  103.391  161.472  ?   ?    22.866   8.7517      ?      ? 
1 1 1   15    5   -8 o  127.123   2.6132  4670.28  191.860  4670.28  191.860   0.0000   0.0000  127.123   2.6132  ?   ?       ?      ? 
1 1 1   15    6   -8 f   67.137   3.6859  1303.68  142.917   0.0000   0.0000  1303.68  142.917  ?   ?    67.137   3.6859      ?      ? 
1 1 1   15    7   -8 o   49.968   4.8400  723.053  139.674  723.053  139.674   0.0000   0.0000   49.968   4.8400  ?   ?       ?      ? 
1 1 1   15    8   -8 o  119.590   2.5412  4136.55  159.177  4137.19  295.875  4136.29  188.833  119.555   4.2850  119.625   2.7332 -0.6955719E-01 5.082490 
1 1 1   15    9   -8 o   93.824   2.5379  2491.03  120.445  2661.38  240.555  2434.03  139.142   95.881   4.3441   91.767   2.6253 4.113960 5.075754 
1 1 1   15   10   -8 o  218.378   2.1196 13789.60  267.305 13686.79  379.777 13890.54  376.300  217.569   3.0224  219.187   2.9726 -1.618073 4.239203 
1 1 1   15   11   -8 o   24.434   8.2723  161.719  138.938  161.719  138.938   0.0000   0.0000   24.434   8.2723  ?   ?       ?      ? 
1 1 1   15   12   -8 o  126.690   2.8050  4591.71  199.894  4417.29  253.092  4880.93  325.905  123.561   3.5466  129.820   4.3467 -6.259743 5.610029 
1 1 1   15   13   -8 o  145.106   1.7655  6079.27  147.795  5941.68  203.476  6232.94  215.028  143.372   2.4573  146.839   2.5355 -3.467392 3.530912 
1 1 1   15   14   -8 o   20.776   6.2478 -44.8555  123.702 -113.0682  147.660  115.697  226.537   15.511   7.1417   26.040   10.254 -10.52877 12.49567 
1 1 1   15   15   -8 o   58.086   4.4519  975.885  147.614  948.003  193.291  1014.90  228.652   57.123   5.8589   59.049   6.7047 -1.926014 8.903881 
1 1 1   15   16   -8 o   69.942   3.8155  1325.15  139.671  1647.74  272.238  1209.90  162.719   75.267   6.2626   64.616   4.3603 10.65150 7.631019 
1 1 1   15   17   -8 o  123.174   3.1733  4398.70  225.701  4473.47  318.268  4323.05  320.119  124.233   4.4358  122.116   4.5389 2.117119 6.346517 
1 1 1   15   18   -8 o   22.212   6.9319 -69.4150  174.148 -206.9540  285.800   11.810  219.631   21.651   9.9565   22.772   9.6474 -1.120592 13.86379 
1 1 1   15   19   -8 o   65.216   5.9740  1236.80  225.012  1236.80  225.012   0.0000   0.0000   65.216   5.9740  ?   ?       ?      ? 
1 1 1   15   20   -8 o  101.291   3.9122  2971.81  228.863  2971.81  228.863   0.0000   0.0000  101.291   3.9122  ?   ?       ?      ? 
1 1 1   15   21   -8 o  ?   ?  -818.5283  209.940 -818.5283  209.940   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   15   22   -8 o   44.427   7.8116  582.946  187.566  670.810  341.526  544.998  224.444   46.616   12.450   42.238   9.4383 4.378143 15.62327 
1 1 1   15   23   -8 f   88.776   4.5851  2286.65  235.091  2286.65  235.091   0.0000   0.0000   88.776   4.5851  ?   ?       ?      ? 
1 1 1   15   24   -8 o   85.581   4.3343  2124.53  214.230  2124.53  214.230   0.0000   0.0000   85.581   4.3343  ?   ?       ?      ? 
1 1 1   15   25   -8 o   99.230   4.1754  2856.33  239.290  2856.33  239.290   0.0000   0.0000   99.230   4.1754  ?   ?       ?      ? 
1 1 1   15   26   -8 o  105.986   4.5063  3243.92  266.062  3143.85  332.467  3422.14  443.698  103.887   5.5412  108.085   7.1078 -4.198166 9.012535 
1 1 1   15   27   -8 o  134.044   3.7369  5403.59  274.106  5847.50  345.831  4653.51  449.545  141.901   4.2198  126.186   6.1685 15.71516 7.473728 
1 1 1   15   28   -8 o   85.464   5.4445  2243.00  255.620  1520.77  371.777  2890.56  352.033   71.544   8.9976   99.385   6.1331 -27.84071 10.88902 
1 1 1   15   29   -8 o   50.889   8.6194  821.835  250.732  922.721  357.713  724.399  351.544   54.076   11.786   47.702   12.580 6.373379 17.23874 
1 1 1   15   30   -8 o   24.888   7.8695 -128.0777  233.289   4.2368  344.767 -239.8248  316.840   27.524   11.882   22.253   10.322 5.270985 15.73905 
1 1 1   15   31   -8 o   70.683   5.3925  1429.18  213.427  2041.77  337.921  1022.65  275.282   82.937   7.0547   58.429   8.1576 24.50780 10.78497 
1 1 1   15   32   -8 o  131.272   3.1475  5035.31  238.411  5347.71  343.622  4745.34  331.056  135.212   4.4003  127.332   4.5017 7.880623 6.295068 
1 1 1   15   33   -8 o   23.006   6.8327   35.239   90.719  216.804  313.840   18.685   94.764   30.617   12.065   15.395   6.4174 15.22180 13.66530 
1 1 1   15   34   -8 o   42.959   6.1246  707.790  117.098  374.189  265.972  788.000  130.418   34.153   11.446   51.764   4.3624 -17.61049 12.24923 
1 1 1   15   35   -8 o   34.412   6.2288  414.006  110.522  270.388  259.162  445.931  122.191   30.203   11.189   38.621   5.4781 -8.417454 12.45767 
1 1 1   15   36   -8 o   52.159   7.1717  917.074  208.921  956.490  276.837  864.924  318.429   54.657   8.7698   49.661   11.350 4.996849 14.34347 
1 1 1   15   37   -8 o   50.993   7.1736  814.759  211.266   0.0000   0.0000  814.759  211.266  ?   ?    50.993   7.1736      ?      ? 
1 1 1   15   38   -8 o   22.822   6.3458  104.039  117.494   42.507  142.893  232.482  206.449   18.596   7.8244   27.048   9.9928 -8.452255 12.69161 
1 1 1   15   39   -8 o   60.162   5.7214  1260.99  138.123  1305.14  152.738  1062.88  323.568   66.155   3.9976   54.170   10.722 11.98420 11.44286 
1 1 1   15   40   -8 o   19.999   6.1249   21.185  137.705  128.325  159.542 -291.8085  272.690   21.963   8.6187   18.035   8.7049 3.927635 12.24978 
1 1 1   15   41   -8 o   37.997   5.1460  476.999  107.980  444.065  142.512  521.393  165.459   36.629   6.9917   39.364   7.5526 -2.735664 10.29198 
1 1 1   15   42   -8 o   16.893   5.1327  -2.5662   96.507 -112.2944  137.948  102.617  135.060   13.928   6.5719   19.857   7.8860 -5.929023 10.26542 
1 1 1   15    0   -9 o  106.828   2.7675  3340.80  157.553  3390.38  190.635  3233.94  279.852  108.196   3.0563  105.459   4.6148 -0.000000 0.000000 
1 1 1   15    1   -9 o   44.969   7.0565  587.323  183.268   0.0000   0.0000  587.323  183.268  ?   ?    44.969   7.0565      ?      ? 
1 1 1   15    2   -9 o  120.853   2.2053  4259.90  148.319  4368.41  187.585  4078.91  242.260  122.944   2.6418  118.762   3.5320 4.181671 4.410688 
1 1 1   15    3   -9 o   72.612   3.8592  1542.97  148.267  1566.25  177.887  1490.00  268.338   73.570   4.1866   71.653   6.4843 1.916847 7.718341 
1 1 1   15    4   -9 o  169.113   2.0085  8268.42  182.520  8261.80  324.213  8271.49  220.839  169.033   3.3210  169.192   2.2600 -0.1595154 4.017080 
1 1 1   15    5   -9 o  104.880   2.8731  3182.81  164.288  3182.61  201.488  3183.21  283.775  104.910   3.3254  104.849   4.6862 0.6073761E-01 5.746226 
1 1 1   15    6   -9 o   88.310   2.3886  2250.89  121.655  2335.74  177.833  2176.26  166.790   89.869   3.4262   86.750   3.3290 3.118698 4.777165 
1 1 1   15    7   -9 o  109.014   2.9181  3435.65  183.723  3435.65  183.723   0.0000   0.0000  109.014   2.9181  ?   ?       ?      ? 
1 1 1   15    8   -9 o   44.504   6.3223  706.071  138.477  359.769  269.965  829.722  161.316   35.504   11.517   53.503   5.2205 -17.99913 12.64468 
1 1 1   15    9   -9 o   61.207   5.7630  1086.94  203.721   0.0000   0.0000  1086.94  203.721  ?   ?    61.207   5.7630      ?      ? 
1 1 1   15   10   -9 o   83.233   3.3789  2055.43  148.393  2131.52  178.750  1886.73  266.168   85.831   3.6059   80.635   5.7154 5.196541 6.757857 
1 1 1   15   11   -9 o  317.483   2.3137 29151.08  422.946 29098.53  575.823 29212.65  623.263  317.193   3.1433  317.773   3.3960 -0.5805054 4.627408 
1 1 1   15   12   -9 o   82.863   4.2329  1946.81  199.371  1742.06  255.767  2263.88  318.283   77.464   5.7169   88.262   6.2439 -10.79771 8.465749 
1 1 1   15   13   -9 o   12.108   6.0937 -816.4888  134.164 -600.0461  193.478 -1016.9640  186.204   12.108   6.0937  ?   ?       ?      ? 
1 1 1   15   14   -9 o   64.976   4.7291  1227.71  158.410  1226.36  186.030  1231.28  302.129   65.026   4.9535   64.926   8.0573 0.1003571 9.458154 
1 1 1   15   15   -9 o   90.681   3.0629  2383.45  157.864  2386.76  205.844  2378.73  245.988   90.785   3.9259   90.577   4.7023 0.2083588 6.125726 
1 1 1   15   16   -9 o   93.210   2.7783  2448.86  139.202  2339.90  166.786  2699.03  252.712   89.929   3.2113   96.491   4.5348 -6.561844 5.556659 
1 1 1   15   17   -9 o  122.107   2.8803  4312.50  203.123   0.0000   0.0000  4312.50  203.123  ?   ?   122.107   2.8803      ?      ? 
1 1 1   15   18   -9 o   31.647   6.7179  236.657  131.103  126.384  157.702  483.388  235.892   23.531   8.7257   39.764   10.217 -16.23265 13.43585 
1 1 1   15   19   -9 o   81.280   3.5948  1942.79  166.372  2129.51  224.767  1716.50  247.432   85.699   4.5412   76.862   5.5739 8.837341 7.189651 
1 1 1   15   20   -9 o  136.238   2.7044  5390.22  211.882  5197.86  311.155  5556.54  289.326  133.944   4.0223  138.531   3.6162 -4.587784 5.408840 
1 1 1   15   21   -9 o  107.783   2.9517  3360.85  183.743  3360.85  183.743   0.0000   0.0000  107.783   2.9517  ?   ?       ?      ? 
1 1 1   15   22   -9 o  186.242   2.4918 10030.07  268.026 10030.07  268.026   0.0000   0.0000  186.242   2.4918  ?   ?       ?      ? 
1 1 1   15   23   -9 o   16.147   5.5822 -453.4562  171.915 -536.4641  263.060 -391.5757  227.128   16.317   8.0208   15.976   7.7660 0.3408289 11.16445 
1 1 1   15   24   -9 o   77.960   5.9203  1763.36  259.774  1273.38  347.637  2382.91  390.910   65.715   9.1595   90.204   7.5036 -24.48813 11.84062 
1 1 1   15   25   -9 o  163.667   2.9052  7753.17  274.611   0.0000   0.0000  7753.17  274.611  ?   ?   163.667   2.9052      ?      ? 
1 1 1   15   26   -9 o   50.982   7.8231  764.433  230.349  764.433  230.349   0.0000   0.0000   50.982   7.8231  ?   ?       ?      ? 
1 1 1   15   27   -9 o   50.430   7.6659  936.599  195.230  1094.09  224.298  444.368  396.540   61.139   6.3522   39.721   13.954 21.41759 15.33182 
1 1 1   15   28   -9 f   98.739   3.8726  2880.98  193.923  2919.02  226.485  2776.49  375.386  100.248   3.9118   97.230   6.6849 3.018478 7.745301 
1 1 1   15   29   -9 o   97.957   4.1903  2751.84  233.322  3160.90  372.174  2486.97  299.482  103.749   6.2112   92.164   5.6263 11.58436 8.380615 
1 1 1   15   30   -9 o   72.205   5.4642  1549.93  222.262  1559.93  355.858  1543.54  284.601   72.158   8.5390   72.252   6.8203 -0.9397888E-01 10.92844 
1 1 1   15   31   -9 o   29.633   7.5478  218.461  155.787  320.688  278.560  171.937  187.923   33.289   11.695   25.976   9.5443 7.312637 15.09553 
1 1 1   15   32   -9 o   80.547   3.4914  1822.72  152.287  2148.94  275.842  1679.70  182.643   85.303   5.5990   75.791   4.1725 9.511536 6.982775 
1 1 1   15   33   -9 o   60.379   5.7175  1092.79  176.667  1069.91  206.140  1156.07  342.857   59.953   5.9534   60.805   9.7631 -0.8521843 11.43504 
1 1 1   15   34   -9 o   23.527   6.9113   86.388  112.297  110.879  313.437   82.782  120.282   27.559   11.592   19.494   7.5296 8.064865 13.82254 
1 1 1   15   35   -9 o   47.529   5.5743  664.987  126.033  809.264  268.219  624.106  142.777   49.415   9.7445   45.644   5.4161 3.770512 11.14855 
1 1 1   15   36   -9 o   46.479   6.5561  745.899  167.587  571.950  262.688  865.289  217.628   40.214   10.995   52.745   7.1442 -12.53069 13.11213 
1 1 1   15   37   -9 o   23.238   7.4666 -68.9381  218.936 -174.6815  296.048   58.697  325.252   20.870   9.7777   25.607   11.287 -4.737440 14.93317 
1 1 1   15   38   -9 o   40.392   5.1223  512.854  115.688  414.627  151.908  648.490  178.506   35.395   7.6540   45.390   6.8094 -9.995117 10.24457 
1 1 1   15   39   -9 o   30.273   9.8018  325.341  195.618   0.0000   0.0000  325.341  195.618  ?   ?    30.273   9.8018      ?      ? 
1 1 1   15   40   -9 o   16.081   7.2420 -34.2508  141.561   0.0000   0.0000 -34.2508  141.561  ?   ?    16.081   7.2420      ?      ? 
1 1 1   15   41   -9 o   36.270   6.6322  510.489  139.171  559.440  162.643  376.659  268.926   41.618   6.7665   30.922   11.409 10.69605 13.26448 
1 1 1   15   42   -9 o   11.412   5.7303 -426.7748  166.106   0.0000   0.0000 -426.7748  166.106  ?   ?    11.412   5.7303      ?      ? 
1 1 1   15    0  -10 o   70.840   6.6238  1490.67  265.558   0.0000   0.0000  1490.67  265.558   70.840   6.6238   70.840   6.6238 -0.000000 0.000000 
1 1 1   15    1  -10 o   95.200   2.9471  2648.27  148.600  2687.75  178.399  2558.81  268.560   96.413   3.2038   93.988   4.9475 2.425148 5.894250 
1 1 1   15    2  -10 o   55.624   5.0273  1018.33  122.063  1100.59  138.935  739.974  255.564   61.676   3.9004   49.571   9.2673 12.10447 10.05461 
1 1 1   15    3  -10 o   28.409   7.3735  127.343  162.822  348.940  267.687  -2.7850  205.131   35.100   11.472   21.719   9.2663 13.38099 14.74707 
1 1 1   15    4  -10 o   99.291   2.6904  2849.63  154.279  2849.63  154.279   0.0000   0.0000   99.291   2.6904  ?   ?       ?      ? 
1 1 1   15    5  -10 o   90.930   3.0806  2390.74  161.234  2429.05  238.839  2358.65  218.548   91.590   4.5152   90.270   4.1920 1.319931 6.161129 
1 1 1   15    6  -10 o  102.596   3.2867  3054.36  193.956  2980.39  285.560  3117.70  264.266  101.426   4.8749  103.767   4.4096 -2.340874 6.573359 
1 1 1   15    7  -10 o   16.018   5.4342 -290.7172  144.013 -311.9099  217.169 -274.0826  192.403   16.481   7.9068   15.555   7.4570 0.9265223 10.86848 
1 1 1   15    8  -10 o  117.911   2.4146  3962.81  155.481  3846.45  189.702  4200.94  271.380  115.343   2.8477  120.478   3.9002 -5.134834 4.829157 
1 1 1   15    9  -10 o   89.977   3.5625  2328.16  183.523  1931.37  248.672  2802.79  271.971   81.608   5.2761   98.346   4.7883 -16.73817 7.124955 
1 1 1   15   10  -10 o   11.205   5.6371 -507.4027  164.658 -507.4027  164.658   0.0000   0.0000   11.205   5.6371  ?   ?       ?      ? 
1 1 1   15   11  -10 o   38.105   7.5684  425.555  160.081  414.706  187.378  454.870  308.002   36.927   8.8922   39.282   12.250 -2.354897 15.13683 
1 1 1   15   12  -10 o  131.429   2.9430  5006.94  220.658  4977.65  339.137  5028.45  290.575  131.065   4.4803  131.794   3.8175 -0.7292175 5.886092 
1 1 1   15   13  -10 o   49.531   6.4827  846.808  138.643  918.929  154.926  556.787  310.676   56.297   4.7649   42.766   12.058 13.53152 12.96537 
1 1 1   15   14  -10 f   16.438   8.1887 -709.6014  157.671 -681.7862  183.165 -789.1819  309.817  ?   ?    16.438   8.1887      ?      ? 
1 1 1   15   15  -10 o   36.438   6.6828  397.681  142.084  483.379  212.886  328.844  190.799   39.801   9.4096   33.076   9.4919 6.724957 13.36552 
1 1 1   15   16  -10 o   43.400   6.9199  617.547  145.110  661.965  162.871  446.569  319.550   47.718   5.9098   39.082   12.514 8.636395 13.83973 
1 1 1   15   17  -10 o   17.102   5.4429 -112.5515  118.642 -247.7438  175.322   1.6593  161.144   14.863   7.1235   19.342   8.2316 -4.478793 10.88590 
1 1 1   15   18  -10 o   21.034   6.8918 -229.1439  198.254 -122.5936  249.414 -412.0017  326.738   21.302   9.6009   20.766   9.8899 0.5358200 13.78359 
1 1 1   15   19  -10 o  157.312   2.8778  7158.27  261.464   0.0000   0.0000  7158.27  261.464  ?   ?   157.312   2.8778      ?      ? 
1 1 1   15   20  -10 o   42.333   8.1239  548.748  204.336  490.201  287.713  608.333  290.254   40.199   11.691   44.467   11.284 -4.267490 16.24789 
1 1 1   15   21  -10 o   74.094   5.2889  1594.98  226.327  1594.98  226.327   0.0000   0.0000   74.094   5.2889  ?   ?       ?      ? 
1 1 1   15   22  -10 o  109.254   3.8872  3329.67  218.774  3785.46  430.201  3170.68  254.081  113.935   6.5377  104.572   4.2070 9.362968 7.774364 
1 1 1   15   23  -10 o  170.960   2.6202  8426.12  249.320  8626.42  414.072  8312.21  312.271  172.472   4.1569  169.449   3.1909 3.023071 5.240386 
1 1 1   15   24  -10 o   39.579   9.2694  440.436  257.942  632.161  358.139  233.790  371.816   45.206   13.014   33.951   13.203 11.25485 18.53878 
1 1 1   15   25  -10 o  160.725   2.9570  7489.67  274.334  7183.64  381.210  7818.40  395.096  157.321   4.1956  164.130   4.1680 -6.808945 5.913989 
1 1 1   15   26  -10 o  115.422   4.0718  3867.67  271.433   0.0000   0.0000  3867.67  271.433  ?   ?   115.422   4.0718      ?      ? 
1 1 1   15   27  -10 o   72.004   5.7245  1514.92  238.055   0.0000   0.0000  1514.92  238.055  ?   ?    72.004   5.7245      ?      ? 
1 1 1   15   28  -10 o  120.951   2.8178  4166.92  188.869  3964.26  233.477  4550.62  321.268  116.879   3.4588  125.024   4.4493 -8.145271 5.635523 
1 1 1   15   29  -10 o   36.138   8.3799  377.577  197.992  483.124  320.767  312.615  251.650   39.465   12.528   32.812   11.133 6.653156 16.75980 
1 1 1   15   30  -10 o   61.683   5.4044  1079.19  177.430  998.656  209.897  1280.81  332.102   58.174   6.2473   65.191   8.8206 -7.017487 10.80886 
1 1 1   15   31  -10 o  112.400   3.5659  3691.39  230.865  3365.68  314.721  4070.84  339.690  107.041   5.0908  117.759   4.9946 -10.71793 7.131813 
1 1 1   15   32  -10 o   58.645   5.3868  980.621  176.866  1301.37  298.143  806.451  219.698   65.540   7.8765   51.750   7.3507 13.78997 10.77367 
1 1 1   15   33  -10 o   73.557   4.6339  1594.35  196.859  1594.35  196.859   0.0000   0.0000   73.557   4.6339  ?   ?       ?      ? 
1 1 1   15   34  -10 o   69.129   4.4852  1412.64  175.663  1604.57  283.111  1292.50  223.995   72.664   6.7461   65.595   5.9126 7.068382 8.970484 
1 1 1   15   35  -10 o   73.285   5.1598  1668.62  213.765  1685.82  277.057  1643.33  336.023   74.298   6.4567   72.272   8.0503 2.025093 10.31968 
1 1 1   15   36  -10 o   40.171   8.1522  529.666  182.671   0.0000   0.0000  529.666  182.671  ?   ?    40.171   8.1522      ?      ? 
1 1 1   15   37  -10 o   20.103   6.6644 -170.8087  195.785 -297.3986  307.729 -84.7206  253.770   19.649   9.4226   20.557   9.4270 -0.9084072 13.32871 
1 1 1   15   38  -10 o   17.914   6.0718 -233.5838  174.679 -385.7982  303.170 -157.9400  213.720   18.360   8.9359   17.468   8.2230 0.8925838 12.14363 
1 1 1   15   39  -10 o   12.418   6.0698 -237.7425  144.244   0.0000   0.0000 -237.7425  144.244  ?   ?    12.418   6.0698      ?      ? 
1 1 1   15   40  -10 o   45.418   4.7119  668.230  118.990  781.217  168.385  555.532  168.169   50.003   5.8307   40.833   7.4035 9.169685 9.423849 
1 1 1   15   41  -10 f   26.075   5.7171  239.177  107.426   78.009  166.055  355.177  140.877   20.109   8.4465   32.041   7.7070 -11.93242 11.43421 
1 1 1   15   42  -10 o   27.832   5.9259  285.419  104.446  239.665  155.874  322.702  140.706   25.661   8.7617   30.003   7.9811 -4.341232 11.85174 
1 1 1   15    0  -11 o  108.615   3.5625  3620.18  199.937  2988.88  355.405  3912.47  241.833  101.052   6.1416  116.178   3.6121 -0.000000 0.000000 
1 1 1   15    1  -11 o  144.244   2.5857  6013.85  215.411   0.0000   0.0000  6013.85  215.411  ?   ?   144.244   2.5857      ?      ? 
1 1 1   15    2  -11 o   14.268   6.9218 -302.0610  178.020   0.0000   0.0000 -302.0610  178.020  ?   ?    14.268   6.9218      ?      ? 
1 1 1   15    3  -11 o  155.719   2.4560  7002.79  220.249  6871.35  299.125  7158.43  325.501  154.134   3.3602  157.303   3.5829 -3.169678 4.912024 
1 1 1   15    4  -11 o  113.573   2.8708  3562.79  156.694  3434.54  176.283  4045.54  342.026  108.996   2.8003  118.149   5.0124 -9.152252 5.741594 
1 1 1   15    5  -11 o   88.357   3.5650  2347.84  168.323  2027.12  289.831  2511.07  206.767   83.563   6.0054   93.150   3.8434 -9.586418 7.129974 
1 1 1   15    6  -11 o   88.996   3.1629  2339.03  151.317  2423.50  184.942  2167.99  263.182   91.526   3.4987   86.466   5.2702 5.059898 6.325799 
1 1 1   15    7  -11 o   98.720   3.2029  2759.79  158.255  2698.51  181.867  2950.90  321.171   96.589   3.2602  100.851   5.5140 -4.262054 6.405726 
1 1 1   15    8  -11 o   77.725   4.0340  1670.08  163.210  1570.25  190.335  1947.40  317.220   73.623   4.4763   81.827   6.7124 -8.203751 8.068080 
1 1 1   15    9  -11 o   28.808   6.8701  234.122  129.923  270.675  150.787  128.773  255.985   30.014   8.3787   27.602   10.890 2.412128 13.74017 
1 1 1   15   10  -11 o   11.727   5.9398 -713.3834  201.582   0.0000   0.0000 -713.3834  201.582  ?   ?    11.727   5.9398      ?      ? 
1 1 1   15   11  -11 o  191.700   2.4826 10635.68  274.809 10669.86  385.171 10600.25  392.203  192.018   3.4732  191.382   3.5483 0.6361694 4.965228 
1 1 1   15   12  -11 o  149.082   2.1955  6380.68  184.233  6642.40  298.537  6219.71  234.134  151.506   3.4118  146.659   2.7642 4.846909 4.391045 
1 1 1   15   13  -11 o   73.931   3.6543  1544.06  152.063  1412.04  191.309  1770.58  250.599   69.781   4.7469   78.080   5.5572 -8.298561 7.308568 
1 1 1   15   14  -11 o   45.140   5.3005  669.033  123.112  835.931  157.674  408.371  197.048   53.671   5.0866   36.609   9.3010 17.06267 10.60110 
1 1 1   15   15  -11 o   25.311   7.6096   13.193  191.016   3.6040  303.496   19.483  245.807   26.402   11.268   24.219   10.230 2.182871 15.21928 
1 1 1   15   16  -11 o   98.242   3.3383  2751.81  147.377  2724.23  162.981  2875.50  345.162   97.048   2.9078   99.437   6.0102 -2.389420 6.676664 
1 1 1   15   17  -11 o   63.393   3.9102  1172.43  138.144  1148.39  226.144  1186.73  174.483   62.821   6.2330   63.965   4.7231 -1.144058 7.820331 
1 1 1   15   18  -11 o  152.258   3.0384  6706.97  267.184   0.0000   0.0000  6706.97  267.184  ?   ?   152.258   3.0384      ?      ? 
1 1 1   15   19  -11 o  140.214   2.2941  5683.46  185.777   0.0000   0.0000  5683.46  185.777  ?   ?   140.214   2.2941      ?      ? 
1 1 1   15   20  -11 o   40.769   8.1146  480.442  175.955  540.724  370.888  462.934  199.881   42.603   13.465   38.935   9.0592 3.668346 16.22926 
1 1 1   15   21  -11 o   82.946   3.6202  1992.70  173.428   0.0000   0.0000  1992.70  173.428  ?   ?    82.946   3.6202      ?      ? 
1 1 1   15   22  -11 o   81.202   4.5624  1913.67  213.968   0.0000   0.0000  1913.67  213.968  ?   ?    81.202   4.5624      ?      ? 
1 1 1   15   23  -11 o  142.296   3.4606  5892.04  283.943  6216.29  399.152  5559.86  404.003  146.295   4.7241  138.297   5.0581 7.998245 6.921119 
1 1 1   15   24  -11 f   86.601   3.9524  2175.29  197.682   0.0000   0.0000  2175.29  197.682  ?   ?    86.601   3.9524      ?      ? 
1 1 1   15   25  -11 o  146.197   3.2296  6210.73  272.495  6540.89  388.829  5892.08  381.995  150.031   4.4874  142.364   4.6459 7.667175 6.459202 
1 1 1   15   26  -11 o   74.700   4.4721  1622.60  192.939   0.0000   0.0000  1622.60  192.939  ?   ?    74.700   4.4721      ?      ? 
1 1 1   15   27  -11 f   64.978   6.3204  1378.90  205.827  994.052  349.899  1582.53  254.522   56.445   11.129   73.511   5.9950 -17.06603 12.64080 
1 1 1   15   28  -11 o   51.798   7.6137  795.055  227.768   0.0000   0.0000  795.055  227.768  ?   ?    51.798   7.6137      ?      ? 
1 1 1   15   29  -11 o   19.399   9.0675 -222.8826  252.068   0.0000   0.0000 -222.8826  252.068  ?   ?    19.399   9.0675      ?      ? 
1 1 1   15   30  -11 o   51.968   6.9772  803.392  209.415   0.0000   0.0000  803.392  209.415  ?   ?    51.968   6.9772      ?      ? 
1 1 1   15   31  -11 o   66.433   5.5431  1330.27  212.377  1362.52  310.037  1301.75  291.512   67.133   7.9964   65.733   7.6786 1.399216 11.08619 
1 1 1   15   32  -11 o   28.364   7.7365  128.265  185.126  380.773  298.667 -29.2760  235.911   34.885   12.118   21.842   9.6209 13.04259 15.47301 
1 1 1   15   33  -11 o   56.114   6.8456  1003.74  214.775  817.143  292.510  1222.02  316.367   49.652   10.527   62.576   8.7539 -12.92406 13.69123 
1 1 1   15   34  -11 o   20.206   6.5779 -113.0093  170.359 -159.1011  288.164 -88.2445  211.225   21.303   9.8677   19.109   8.7008 2.194378 13.15582 
1 1 1   15   35  -11 o   25.155   7.2476   68.115  164.994  311.893  281.125 -59.9805  203.783   31.161   11.631   19.149   8.6501 12.01245 14.49520 
1 1 1   15   36  -11 o   44.864   7.0368  636.515  158.420  845.759  320.803  569.031  182.184   47.997   11.683   41.730   7.8472 6.266720 14.07366 
1 1 1   15   37  -11 f   13.557   6.7844 -752.5070  182.400 -1163.4780  315.363 -545.9193  223.593  ?   ?    13.557   6.7844      ?      ? 
1 1 1   15   38  -11 o   17.061   8.0077 -140.6614  200.072   0.0000   0.0000 -140.6614  200.072  ?   ?    17.061   8.0077      ?      ? 
1 1 1   15   39  -11 f   31.758   7.0813  389.818  154.955  477.425  188.113  204.903  273.298   36.838   8.9337   26.678   10.989 10.16014 14.16257 
1 1 1   15   40  -11 o   19.030   5.5888   41.888  108.721 -80.2090  160.090  146.402  148.115   15.932   7.3712   22.128   8.4027 -6.195421 11.17759 
1 1 1   15   41  -11 o   20.266   8.1206  106.949  144.486   0.0000   0.0000  106.949  144.486  ?   ?    20.266   8.1206      ?      ? 
1 1 1   15    0  -12 o   73.432   4.4208  1589.78  183.946  1518.86  250.093  1673.35  271.501   71.645   6.1482   75.218   6.3541 -0.000000 0.000000 
1 1 1   15    1  -12 o   19.846   6.4590 -171.6238  167.050 -206.1925  266.614 -149.2820  214.339   20.751   9.5694   18.940   8.6775 1.810253 12.91792 
1 1 1   15    2  -12 o   70.767   4.7089  1531.39  153.006  1331.49  331.909  1585.33  172.419   67.531   8.5100   74.002   4.0342 -6.470894 9.417777 
1 1 1   15    3  -12 o   33.503   6.7681  362.012  129.811  182.886  279.689  411.192  146.553   30.028   11.512   36.979   7.1204 -6.951345 13.53610 
1 1 1   15    4  -12 o  144.857   2.6258  6167.38  207.899  6381.70  258.037  5770.85  350.984  148.554   3.0076  141.161   4.3052 7.393188 5.251644 
1 1 1   15    5  -12 o  122.087   3.1895  4359.12  219.863  4111.24  344.189  4530.00  285.765  119.081   5.0046  125.092   3.9554 -6.011017 6.378963 
1 1 1   15    6  -12 o   79.144   4.3102  1805.21  160.056  1844.84  351.977  1794.88  179.711   79.549   7.6611   78.739   3.9518 0.8106384 8.620319 
1 1 1   15    7  -12 o  112.163   3.4223  3640.00  221.694   0.0000   0.0000  3640.00  221.694  ?   ?   112.163   3.4223      ?      ? 
1 1 1   15    8  -12 o  202.396   1.9534 11826.42  218.468 11907.70  367.466 11781.98  271.701  202.895   3.1359  201.897   2.3301 0.9980621 3.906806 
1 1 1   15    9  -12 o   82.041   3.0955  1932.87  142.042  2018.62  234.174  1882.96  178.662   83.436   4.8596   80.646   3.8359 2.789886 6.191092 
1 1 1   15   10  -12 o   21.461   6.9609 -231.9129  203.720 -50.1250  258.859 -527.7035  330.197   23.259   10.165   19.664   9.5123 3.594805 13.92183 
1 1 1   15   11  -12 o  171.212   2.7874  8476.99  275.628   0.0000   0.0000  8476.99  275.628  ?   ?   171.212   2.7874      ?      ? 
1 1 1   15   12  -12 o  153.705   2.3011  6985.62  169.279  6568.22  354.969  7108.48  192.589  150.580   4.0817  156.829   2.1263 -6.248856 4.602280 
1 1 1   15   13  -12 o   58.832   5.2407  1004.74  178.067   0.0000   0.0000  1004.74  178.067  ?   ?    58.832   5.2407      ?      ? 
1 1 1   15   14  -12 o   94.881   2.9811  2586.21  162.347  2418.90  215.553  2805.54  246.793   91.375   4.0845   98.387   4.3432 -7.011444 5.962102 
1 1 1   15   15  -12 o   43.323   9.9855  574.028  244.722   0.0000   0.0000  574.028  244.722  ?   ?    43.323   9.9855      ?      ? 
1 1 1   15   16  -12 o  135.678   2.9348  5324.92  229.971   0.0000   0.0000  5324.92  229.971  ?   ?   135.678   2.9348      ?      ? 
1 1 1   15   17  -12 o   74.676   3.3513  1555.98  139.255  1845.78  237.822  1404.78  171.784   79.734   5.1645   69.619   4.2724 10.11537 6.702613 
1 1 1   15   18  -12 o   57.765   4.9877  950.130  140.747  1018.06  295.754  930.242  160.031   58.914   8.6922   56.616   4.8942 2.297752 9.975328 
1 1 1   15   19  -12 o   78.009   5.7335  1769.79  258.316   0.0000   0.0000  1769.79  258.316  ?   ?    78.009   5.7335      ?      ? 
1 1 1   15   20  -12 o   83.186   3.7255  2012.18  141.642  2008.65  320.679  2013.03  157.877   82.981   6.6913   83.391   3.2780 -0.4101028 7.451069 
1 1 1   15   21  -12 o   64.675   7.1105  1236.50  265.448  1259.65  383.126  1215.13  368.124   65.240   10.168   64.111   9.9421 1.128983 14.22106 
1 1 1   15   22  -12 o  106.357   4.4400  3283.14  272.731   0.0000   0.0000  3283.14  272.731  ?   ?   106.357   4.4400      ?      ? 
1 1 1   15   23  -12 o  107.762   4.6343  3373.51  288.424   0.0000   0.0000  3373.51  288.424  ?   ?   107.762   4.6343      ?      ? 
1 1 1   15   24  -12 o  167.922   2.6826  8110.00  248.530  7951.50  307.398  8409.16  422.312  165.677   3.2126  170.167   4.2971 -4.490036 5.365201 
1 1 1   15   25  -12 o   17.366   5.9629 -442.7660  188.050 -460.3715  268.624 -425.8463  263.340   17.308   8.4208   17.424   8.4449 -0.1162758 11.92584 
1 1 1   15   26  -12 o  120.340   4.1166  4228.91  284.827  4308.01  425.003  4164.42  383.760  121.294   6.0669  119.386   5.5657 1.907906 8.233108 
1 1 1   15   27  -12 o  113.054   3.4848  3710.30  227.536   0.0000   0.0000  3710.30  227.536  ?   ?   113.054   3.4848      ?      ? 
1 1 1   15   28  -12 o   30.591   10.568  265.269  226.984   0.0000   0.0000  265.269  226.984  ?   ?    30.591   10.568      ?      ? 
1 1 1   15   29  -12 o   50.536   7.8624  830.762  222.743  700.312  334.086  935.154  298.861   46.393   12.277   54.678   9.8251 -8.284348 15.72473 
1 1 1   15   30  -12 o  118.869   3.5974  4116.74  246.971   0.0000   0.0000  4116.74  246.971  ?   ?   118.869   3.5974      ?      ? 
1 1 1   15   31  -12 o   21.526   6.9696 -226.7496  176.456 -350.1038  208.855   80.915  329.843   15.182   7.3951   27.870   11.816 -12.68808 13.93915 
1 1 1   15   32  -12 o  101.052   4.2454  3040.50  245.809  3596.99  359.375  2551.27  336.959  109.898   5.6620   92.207   6.3274 17.69119 8.490895 
1 1 1   15   33  -12 o   31.967   10.296  333.701  216.044   0.0000   0.0000  333.701  216.044  ?   ?    31.967   10.296      ?      ? 
1 1 1   15   34  -12 o   63.056   4.9693  1187.86  180.970   0.0000   0.0000  1187.86  180.970  ?   ?    63.056   4.9693      ?      ? 
1 1 1   15   35  -12 o   15.260   7.3313 -230.9188  188.171   0.0000   0.0000 -230.9188  188.171  ?   ?    15.260   7.3313      ?      ? 
1 1 1   15   36  -12 o   16.328   5.7662 -727.6605  224.607 -997.6487  328.817 -491.4915  307.534   14.998   7.5951   17.658   8.6782 -2.659752 11.53246 
1 1 1   15   37  -12 o   16.543   7.4266 -34.4493  147.540   0.0000   0.0000 -34.4493  147.540  ?   ?    16.543   7.4266      ?      ? 
1 1 1   15   38  -12 o   30.045   7.5059  293.872  150.812  434.775  279.970  236.274  179.001   33.564   11.729   26.527   9.3699 7.036707 15.01184 
1 1 1   15   39  -12 o   44.381   4.5813  621.341  113.488  607.661  142.994  644.624  186.547   44.242   5.5963   44.521   7.2550 -0.2797813 9.162601 
1 1 1   15   40  -12 o   33.598   7.2141  337.810  144.315  197.554  167.835  735.675  282.677   24.347   9.0069   42.848   11.271 -18.50060 14.42810 
1 1 1   15   41  -12 o   24.645   6.6179  211.991  129.993  202.465  189.196  220.510  178.911   24.359   9.4337   24.930   9.2841 -0.5706902 13.23589 
1 1 1   15    0  -13 o  106.892   3.9349  3353.29  239.829  3560.21  328.277  3116.43  351.223  110.554   5.1671  103.229   5.9360 -0.000000 0.000000 
1 1 1   15    1  -13 o  162.881   2.0944  7709.11  189.843  7812.97  239.323  7532.85  311.782  164.400   2.5206  161.362   3.3455 3.038330 4.188765 
1 1 1   15    2  -13 o  109.953   2.3238  3547.67  139.931  3335.10  235.587  3663.54  173.938  107.339   3.8002  112.568   2.6754 -5.229042 4.647546 
1 1 1   15    3  -13 o   21.419   6.3914 -59.6119  149.455 -269.7992  215.809  134.100  207.178   16.990   8.0761   25.849   9.9084 -8.859325 12.78282 
1 1 1   15    4  -13 o   12.776   4.5647 -746.4735  159.503 -759.8931  239.317 -735.7480  213.951   13.332   6.7184   12.220   6.1813 1.112080 9.129330 
1 1 1   15    5  -13 o  187.342   2.1218 10194.82  217.204 10013.31  371.780 10288.88  267.628  186.022   3.4605  188.661   2.4562 -2.638336 4.243561 
1 1 1   15    6  -13 o   94.901   3.6957  2582.41  155.272  2661.34  369.395  2565.47  171.124   95.628   6.6884   94.174   3.1463 1.453773 7.391449 
1 1 1   15    7  -13 o  126.857   2.3608  4651.76  172.967   0.0000   0.0000  4651.76  172.967  ?   ?   126.857   2.3608      ?      ? 
1 1 1   15    8  -13 o   69.360   4.8561  1439.69  167.120  1324.70  330.393  1479.23  193.731   67.292   8.5013   71.429   4.6961 -4.137489 9.712115 
1 1 1   15    9  -13 o   30.155   7.9597  147.389  168.234   72.675  194.302  371.138  336.246   23.279   9.3855   37.031   12.858 -13.75193 15.91933 
1 1 1   15   10  -13 o  166.947   2.2936  8046.36  208.458  8118.05  361.911  8010.77  255.008  167.447   3.7423  166.446   2.6527 1.001556 4.587142 
1 1 1   15   11  -13 o  178.193   2.0476  9161.81  193.432  9128.28  231.274  9239.88  352.878  177.708   2.2534  178.678   3.4195 -0.9703217 4.095237 
1 1 1   15   12  -13 o  110.983   2.5777  3567.25  165.057  3368.24  232.518  3769.40  234.345  107.855   3.7328  114.111   3.5558 -6.256371 5.155339 
1 1 1   15   13  -13 o  139.149   2.9692  5600.96  238.620   0.0000   0.0000  5600.96  238.620  ?   ?   139.149   2.9692      ?      ? 
1 1 1   15   14  -13 o   81.549   5.5710  1942.29  262.222  1987.97  378.980  1900.34  363.199   82.458   7.9579   80.640   7.7985 1.818230 11.14200 
1 1 1   15   15  -13 o  139.692   2.7237  5640.76  213.607  5698.51  346.111  5605.23  271.476  140.221   4.2738  139.163   3.3777 1.057388 5.447435 
1 1 1   15   16  -13 o  142.245   3.3485  5856.32  275.089   0.0000   0.0000  5856.32  275.089  ?   ?   142.245   3.3485      ?      ? 
1 1 1   15   17  -13 o   55.630   6.1739  946.164  187.705  719.642  273.513  1147.83  258.069   48.547   10.085   62.713   7.1251 -14.16652 12.34781 
1 1 1   15   18  -13 o   96.868   3.4842  2797.61  177.989  2915.27  214.660  2538.74  318.406  100.326   3.7047   93.410   5.9021 6.916496 6.968438 
1 1 1   15   19  -13 o   49.432   9.1222  754.997  265.398  905.994  382.273  614.493  368.752   54.034   12.498   44.831   13.291 9.202457 18.24431 
1 1 1   15   20  -13 o   58.127   7.3388  1110.81  209.555  824.044  389.717  1227.45  248.544   51.400   13.092   64.853   6.6357 -13.45315 14.67766 
1 1 1   15   21  -13 f  154.102   2.1657  6868.96  192.371  6794.21  263.272  6954.59  281.778  153.214   2.9752  154.990   3.1479 -1.776642 4.331416 
1 1 1   15   22  -13 o   94.167   4.8876  2577.00  264.907  2842.46  394.101  2358.21  357.796   98.559   6.9235   89.776   6.9007 8.783302 9.775187 
1 1 1   15   23  -13 o   16.104   5.6632 -708.7538  205.448 -653.1754  278.512 -775.0978  304.293   15.986   7.9302   16.222   8.0868 -0.2360497 11.32633 
1 1 1   15   24  -13 o   26.268   7.3190  104.658  172.992 -91.9083  276.855  230.562  221.573   23.071   10.278   29.464   10.423 -6.392345 14.63805 
1 1 1   15   25  -13 o  129.034   3.1776  4958.67  194.133  5048.65  220.068  4643.00  412.195  132.019   2.8863  126.049   5.6621 5.969780 6.355301 
1 1 1   15   26  -13 o   53.076   8.0368  909.952  237.892  1036.97  305.099  712.973  379.943   58.935   8.9637   47.217   13.342 11.71771 16.07367 
1 1 1   15   27  -13 o   38.093   9.2330  417.601  251.274  266.033  353.269  572.803  357.479   33.642   12.928   42.544   13.185 -8.901962 18.46610 
1 1 1   15   28  -13 o   80.308   5.4745  1893.79  253.916   0.0000   0.0000  1893.79  253.916  ?   ?    80.308   5.4745      ?      ? 
1 1 1   15   29  -13 o   37.127   7.7733  346.396  161.232  685.702  330.921  240.779  184.628   45.687   12.278   28.566   9.5367 17.12109 15.54665 
1 1 1   15   30  -13 o   24.334   7.4283   23.655  178.541   18.248  320.968   26.078  214.848   26.368   11.424   22.300   9.4981 4.067831 14.85650 
1 1 1   15   31  -13 o   63.130   6.5817  1248.85  231.869  1025.61  317.633  1503.54  339.258   56.345   10.133   69.915   8.4019 -13.56960 13.16342 
1 1 1   15   32  -13 o   45.644   7.0090  634.224  184.766  634.224  184.766   0.0000   0.0000   45.644   7.0090  ?   ?       ?      ? 
1 1 1   15   33  -13 o   36.823   5.8227  440.588  128.099  237.587  179.472  651.409  182.896   27.564   9.4016   46.083   6.8720 -18.51850 11.64531 
1 1 1   15   34  -13 o   48.173   7.5583  804.906  204.485  875.288  300.945  744.541  278.706   50.157   10.714   46.188   10.664 3.969593 15.11665 
1 1 1   15   35  -13 o   39.254   6.0957  524.095  120.076  538.302  138.119  480.126  242.982   41.996   5.6946   36.513   10.780 5.483078 12.19131 
1 1 1   15   36  -13 f   36.163   7.3306  485.677  156.432  411.380  294.780  514.802  184.564   33.276   11.995   39.050   8.4304 -5.773609 14.66123 
1 1 1   15   37  -13 o   34.967   7.4496  443.302  153.987  461.792  290.513  436.078  181.597   34.530   11.954   35.404   8.8929 -0.8741989 14.89917 
1 1 1   15   38  -13 o   39.401   8.6226  626.383  214.292  666.405  332.158  597.849  280.467   39.884   12.758   38.917   11.603 0.9672241 17.24517 
1 1 1   15   39  -13 o   22.217   6.2472  132.871  123.070   47.064  198.611  186.355  156.802   20.531   8.9406   23.902   8.7279 -3.370350 12.49440 
1 1 1   15   40  -13 o   20.822   6.1612   35.667  134.747  230.924  198.678 -130.6486  183.364   25.648   9.7336   15.996   7.5565 9.651743 12.32245 
1 1 1   15    0  -14 f  143.304   2.9558  6008.74  237.006  6194.05  303.624  5719.73  379.182  146.241   3.5998  140.368   4.6892 -0.000000 0.000000 
1 1 1   15    1  -14 o   29.378   6.1374  247.887  111.381  320.291  171.286  194.842  146.609   32.552   8.8694   26.205   8.4856 6.346313 12.27488 
1 1 1   15    2  -14 f   80.378   3.3079  1869.26  153.560   0.0000   0.0000  1869.26  153.560  ?   ?    80.378   3.3079      ?      ? 
1 1 1   15    3  -14 o   79.922   3.5139  1841.88  160.178  1787.16  209.203  1919.41  249.014   78.520   4.6132   81.324   5.3018 -2.804077 7.027848 
1 1 1   15    4  -14 o  158.896   1.9242  7300.93  176.564  7274.01  251.079  7327.27  248.342  158.604   2.7410  159.187   2.7012 -0.5826721 3.848329 
1 1 1   15    5  -14 o  152.489   2.5622  6711.58  212.740  6673.28  260.211  6788.78  369.448  151.895   2.9662  153.083   4.1787 -1.188202 5.124418 
1 1 1   15    6  -14 o   98.213   3.3509  2813.20  180.243  2745.30  306.460  2849.11  222.865   97.236   5.4571   99.191   3.8903 -1.954605 6.701814 
1 1 1   15    7  -14 o  179.938   1.9821  9371.76  182.990  9381.54  214.312  9345.45  351.549  180.172   2.0596  179.704   3.3872 0.4680786 3.964220 
1 1 1   15    8  -14 o  152.225   2.2158  6752.77  176.664  6821.30  210.128  6587.54  326.287  153.612   2.3685  150.837   3.7455 2.774979 4.431522 
1 1 1   15    9  -14 o   83.917   3.4453  2045.43  165.694  2064.80  221.618  2020.89  249.508   84.392   4.5469   83.441   5.1775 0.9508896 6.890614 
1 1 1   15   10  -14 o  107.167   2.4793  3431.61  133.285  3549.56  155.578  3106.25  258.400  110.805   2.4311  103.528   4.3216 7.277657 4.958512 
1 1 1   15   11  -14 o   77.552   3.8622  1757.99  171.617  1858.09  232.883  1639.02  253.878   80.017   5.0393   75.087   5.8543 4.929886 7.724494 
1 1 1   15   12  -14 o   52.100   4.9827  781.849  148.998  699.918  198.048  888.699  226.171   48.996   6.9988   55.203   7.0940 -6.206417 9.965327 
1 1 1   15   13  -14 o   21.327   6.5755 -48.1231  136.615   49.024  261.944 -84.4212  160.116   25.665   10.681   16.990   7.6718 8.675486 13.15106 
1 1 1   15   14  -14 o   68.004   5.7443  1400.47  206.215  1480.36  250.153  1231.05  364.293   71.334   6.0719   64.674   9.7529 6.659691 11.48860 
1 1 1   15   15  -14 o   18.514   5.7901 -150.7552  137.737   63.514  184.517 -420.4130  206.996   22.496   9.1194   14.531   7.1371 7.965540 11.58022 
1 1 1   15   16  -14 o  130.595   3.1782  4994.98  223.835  5086.23  273.016  4807.88  390.934  132.536   3.5667  128.655   5.2613 3.881363 6.356307 
1 1 1   15   17  -14 o   42.470   9.3101  541.076  251.410  534.682  341.995  548.593  370.851   42.113   12.871   42.828   13.455 -0.7151794 18.62030 
1 1 1   15   18  -14 o   43.321   7.7689  582.323  189.814  543.050  317.755  604.113  236.683   42.178   12.292   44.465   9.5046 -2.287365 15.53778 
1 1 1   15   19  -14 o   55.834   7.3947  916.415  196.872  895.344  223.570  989.172  415.440   55.353   6.9933   56.315   13.032 -0.9612923 14.78943 
1 1 1   15   20  -14 o   91.408   3.9951  2470.21  206.290  2225.34  317.531  2649.03  271.357   87.337   6.2951   95.478   4.9210 -8.141533 7.990270 
1 1 1   15   21  -14 o   98.292   3.0887  2878.90  166.284  2555.18  275.010  3065.46  208.769   93.729   5.0803  102.854   3.5145 -9.125534 6.177463 
1 1 1   15   22  -14 o  121.532   3.3030  4303.84  210.604  4318.58  250.430  4268.25  389.228  122.057   3.5525  121.008   5.5694 1.049347 6.605935 
1 1 1   15   23  -14 f   55.694   4.8747  922.989  149.664  957.138  187.822  863.592  247.710   57.265   5.6790   54.123   7.9247 3.142239 9.749433 
1 1 1   15   24  -14 o   76.461   3.4483  1692.68  151.544  1806.21  228.206  1603.12  202.686   78.721   5.0194   74.202   4.7296 4.519218 6.896637 
1 1 1   15   25  -14 o   71.535   3.3914  1485.94  139.703  1656.23  204.179  1336.04  191.563   75.388   4.6894   67.682   4.9007 7.706467 6.782870 
1 1 1   15   26  -14 o   17.296   8.6385 -1264.0439  176.926 -1381.6550  204.211 -910.0228  354.299  ?   ?    17.296   8.6385      ?      ? 
1 1 1   15   27  -14 o   51.203   5.8791  785.474  173.635  792.668  252.423  779.013  239.222   51.382   8.5062   51.024   8.1178 0.3574448 11.75814 
1 1 1   15   28  -14 o  150.789   2.9397  6631.22  255.704  6778.99  372.389  6499.38  351.734  152.346   4.2323  149.231   4.0810 3.115646 5.879408 
1 1 1   15   29  -14 o   37.059   9.1516  436.997  194.712   0.0000   0.0000  436.997  194.712  ?   ?    37.059   9.1516      ?      ? 
1 1 1   15   30  -14 o   60.299   6.8255  1093.22  237.698   0.0000   0.0000  1093.22  237.698  ?   ?    60.299   6.8255      ?      ? 
1 1 1   15   31  -14 o   19.557   8.5055  -4.9022  179.294   0.0000   0.0000  -4.9022  179.294  ?   ?    19.557   8.5055      ?      ? 
1 1 1   15   32  -14 o   37.942   8.7900  471.207  188.840  471.207  188.840   0.0000   0.0000   37.942   8.7900  ?   ?       ?      ? 
1 1 1   15   33  -14 o   31.029   7.0880  278.878  150.105  135.492  191.293  508.636  242.148   23.848   9.4122   38.210   10.601 -14.36206 14.17606 
1 1 1   15   34  -14 o   37.593   8.1151  538.797  220.030  179.765  354.919  762.922  280.419   28.740   12.223   46.446   10.677 -17.70589 16.23011 
1 1 1   15   35  -14 o   18.569   6.4049 -358.1447  192.369 -207.4934  350.939 -422.8555  230.003   22.162   10.464   14.977   7.3884 7.184939 12.80989 
1 1 1   15   36  -14 o   19.419   6.3701 -44.0606  140.154 -264.8921  345.508  -0.5657  153.337   21.111   10.086   17.726   7.7835 3.385044 12.74029 
1 1 1   15   37  -14 o   27.646   9.4985  264.307  183.249   0.0000   0.0000  264.307  183.249  ?   ?    27.646   9.4985      ?      ? 
1 1 1   15   38  -14 o   19.523   8.7212  -3.5149  200.823   0.0000   0.0000  -3.5149  200.823  ?   ?    19.523   8.7212      ?      ? 
1 1 1   15   39  -14 o   33.682   8.3295  402.094  161.128   0.0000   0.0000  402.094  161.128  ?   ?    33.682   8.3295      ?      ? 
1 1 1   15   40  -14 o   27.544   6.6423  282.913  128.526  216.909  177.157  356.257  186.747   24.743   9.2337   30.344   9.5507 -5.600904 13.28454 
1 1 1   15    0  -15 o   23.318   12.210  231.200  216.355  231.200  216.355   0.0000   0.0000   23.318   12.210   23.318   12.210 -0.000000 0.000000 
1 1 1   15    1  -15 f  224.177   1.9523 14632.22  243.021 14904.59  305.877 14165.98  400.197  227.071   2.3324  221.283   3.1314 5.788040 3.904578 
1 1 1   15    2  -15 o   67.180   5.1900  1286.54  171.914  1259.81  196.284  1374.57  356.223   65.886   5.1583   68.475   9.0076 -2.588234 10.37998 
1 1 1   15    3  -15 o  143.744   1.8145  5964.48  149.408  6048.17  226.923  5900.44  198.505  144.621   2.7168  142.866   2.4058 1.755753 3.628912 
1 1 1   15    4  -15 o  197.759   1.7407 11304.78  198.749 11246.66  277.133 11366.32  285.186  197.238   2.4328  198.279   2.4904 -1.041214 3.481475 
1 1 1   15    5  -15 o   18.740   6.4635 -477.0346  181.757 -251.8521  351.684 -559.1015  212.310   24.006   11.041   13.473   6.7225 10.53312 12.92690 
1 1 1   15    6  -15 o  164.412   2.2795  7836.27  187.160  7851.06  216.075  7791.83  374.521  164.806   2.2701  164.018   3.9537 0.7874146 4.559039 
1 1 1   15    7  -15 o  164.463   2.6928  7846.18  252.650  7922.07  333.222  7743.57  387.490  165.437   3.4875  163.488   4.1038 1.948212 5.385543 
1 1 1   15    8  -15 o  207.055   2.3094 12435.12  254.068 12480.94  304.864 12330.95  459.687  207.766   2.5407  206.344   3.8573 1.420990 4.618852 
1 1 1   15    9  -15 o  114.220   3.0703  3694.06  163.143  3635.87  182.165  3929.85  366.687  112.122   2.8131  116.318   5.4584 -4.196190 6.140648 
1 1 1   15   10  -15 o   39.199   8.4842  434.047  199.098  384.506  240.668  541.471  354.394   35.873   10.761   42.526   13.120 -6.652927 16.96831 
1 1 1   15   11  -15 o   94.318   4.0689  2570.46  208.342  2541.30  253.798  2630.71  364.823   93.605   4.6946   95.030   6.6472 -1.424477 8.137839 
1 1 1   15   12  -15 o   27.000   6.7260  166.972  134.309  287.462  202.878   72.963  179.201   31.451   9.9610   22.548   9.0407 8.902905 13.45197 
1 1 1   15   13  -15 o   28.940   7.9990  155.023  181.483  163.020  331.116  151.589  216.976   31.119   12.351   26.761   10.168 4.358349 15.99802 
1 1 1   15   14  -15 o   40.859   6.7019  437.921  139.730  355.426  160.717  693.362  282.809   34.168   8.2400   47.550   10.572 -13.38206 13.40383 
1 1 1   15   15  -15 o   79.843   3.1790  1848.33  146.029  1856.15  216.421  1841.79  197.858   79.983   4.6851   79.703   4.2983 0.2800980 6.358055 
1 1 1   15   16  -15 o   77.506   5.1803  1835.61  189.622  1615.06  396.758  1900.91  215.873   74.071   9.2745   80.940   4.6180 -6.868484 10.36058 
1 1 1   15   17  -15 o   52.570   5.7344  875.677  139.572  729.463  282.664  922.820  160.503   48.771   10.355   56.369   4.9301 -7.598110 11.46890 
1 1 1   15   18  -15 o   98.132   2.8446  2791.64  161.005  2785.07  221.934  2798.94  233.929   98.020   3.9204   98.244   4.1228 -0.2239761 5.689200 
1 1 1   15   19  -15 o   53.079   5.7369  735.987  158.144  1048.49  318.742  633.940  182.143   59.585   9.2623   46.573   6.7717 13.01222 11.47371 
1 1 1   15   20  -15 o   37.194   7.6495  438.119  173.164  504.307  209.303  294.530  308.281   40.538   9.1561   33.851   12.257 6.686787 15.29903 
1 1 1   15   21  -15 f  146.826   2.5537  6246.73  212.019  6232.91  273.213  6267.66  336.161  146.681   3.2251  146.971   3.9603 -0.2894440 5.107385 
1 1 1   15   22  -15 f  134.730   2.7375  5232.01  179.226  5201.40  203.985  5335.64  375.331  134.053   2.6347  135.406   4.7994 -1.353683 5.475067 
1 1 1   15   23  -15 o   95.112   3.3705  2623.39  185.148  2623.39  185.148   0.0000   0.0000   95.112   3.3705  ?   ?       ?      ? 
1 1 1   15   24  -15 o   83.031   2.8444  2002.13  135.134  1988.76  179.048  2019.82  205.987   82.746   3.7466   83.316   4.2808 -0.5695648 5.688794 
1 1 1   15   25  -15 o   64.654   6.0843  1441.82  165.692  1569.87  187.567  986.892  353.536   73.393   4.4250   55.915   11.336 17.47748 12.16866 
1 1 1   15   26  -15 o   20.304   6.2951 -65.7904  133.486 -130.0447  161.748   71.423  236.367   15.923   7.3818   24.684   10.199 -8.760587 12.59029 
1 1 1   15   27  -15 o   83.749   2.9072  2044.30  139.182  2065.36  212.997  2028.60  183.865   84.064   4.3871   83.434   3.8157 0.6300812 5.814302 
1 1 1   15   28  -15 o   18.152   5.6433 -29.0023  114.022  -3.9481  150.628 -62.6247  174.494   18.226   7.8610   18.078   8.0988 0.1476765 11.28658 
1 1 1   15   29  -15 o   70.155   3.6920  1454.45  142.549  1454.72  240.967  1454.31  176.804   69.914   5.9677   70.396   4.3487 -0.4820633 7.384073 
1 1 1   15   30  -15 o   93.135   3.7769  2599.76  185.488  2519.76  336.698  2634.62  222.257   91.545   6.3683   94.726   4.0626 -3.181496 7.553769 
1 1 1   15   31  -15 o   52.972   4.5320  829.501  130.904  915.568  230.336  788.441  159.095   54.576   7.3076   51.369   5.3626 3.207691 9.064086 
1 1 1   15   32  -15 o   23.270   6.6581   64.925  152.924 -135.4906  226.379  233.145  207.400   18.852   8.7372   27.689   10.049 -8.836941 13.31611 
1 1 1   15   33  -15 o   34.988   9.1625  416.032  187.340   0.0000   0.0000  416.032  187.340  ?   ?    34.988   9.1625      ?      ? 
1 1 1   15   34  -15 o   23.361   7.0083   99.557  148.244   6.2381  316.192  125.849  167.833   24.270   10.885   22.451   8.8304 1.818977 14.01666 
1 1 1   15   35  -15 o   15.875   7.3665 -99.0479  161.623   0.0000   0.0000 -99.0479  161.623  ?   ?    15.875   7.3665      ?      ? 
1 1 1   15   36  -15 f   12.552   6.2094 -332.9271  166.372   0.0000   0.0000 -332.9271  166.372  ?   ?    12.552   6.2094      ?      ? 
1 1 1   15   37  -15 o   22.109   7.0069   23.788  178.516 -35.9761  311.527   53.008  217.827   22.712   10.426   21.505   9.3639 1.206800 14.01374 
1 1 1   15   38  -15 o   18.709   6.4551 -347.5804  221.976 -393.7132  356.404 -318.3442  283.725   19.547   9.5515   17.872   8.6857 1.675142 12.91013 
1 1 1   15   39  -15 o   54.544   4.7638  942.083  136.172  1056.14  255.849  897.003  160.846   55.457   7.9882   53.631   5.1929 1.825729 9.527697 
1 1 1   15    0  -16 o   44.393   7.7371  754.115  158.260  882.205  192.996  491.184  276.511   54.061   6.4199   34.725   14.080 -0.000000 0.000000 
1 1 1   15    1  -16 f   20.896   6.8777 -279.1421  192.531 -373.6505  241.228 -113.2917  319.559   16.983   8.1947   24.809   11.048 -7.825972 13.75536 
1 1 1   15    2  -16 o   16.617   5.6285 -272.3354  147.446 -201.7544  179.553 -418.4924  258.379   15.881   7.4945   17.354   8.3995 -1.472739 11.25694 
1 1 1   15    3  -16 o   17.183   5.9961 -542.0728  176.674 -322.4437  319.371 -638.9226  212.080   21.559   10.118   12.807   6.4369 8.752151 11.99222 
1 1 1   15    4  -16 o   87.268   3.3928  2263.09  163.033  2409.37  205.891  2017.20  266.947   91.207   3.9086   83.329   5.5468 7.877808 6.785625 
1 1 1   15    5  -16 f  148.929   2.2199  6417.53  190.920  6310.86  269.758  6524.58  270.247  147.687   3.1626  150.171   3.1159 -2.484238 4.439738 
1 1 1   15    6  -16 o  195.881   1.9695 11082.94  217.474 11033.06  278.427 11160.97  348.276  195.349   2.4678  196.414   3.0702 -1.064804 3.939078 
1 1 1   15    7  -16 o  148.613   2.4890  6384.88  209.736  6349.07  271.531  6437.84  330.236  148.131   3.1739  149.095   3.8351 -0.9639893 4.978079 
1 1 1   15    8  -16 o   20.436   6.4679 -110.0826  160.288 -221.1283  236.473 -15.6976  218.013   18.880   8.8106   21.992   9.4714 -3.112183 12.93579 
1 1 1   15    9  -16 o  212.967   1.7267 13119.03  211.729 13194.14  288.811 13031.75  311.314  213.636   2.3407  212.297   2.5390 1.339325 3.453370 
1 1 1   15   10  -16 o  211.449   2.1118 13004.41  220.563 13070.25  253.504 12799.30  447.429  212.656   2.0641  210.242   3.6849 2.414063 4.223567 
1 1 1   15   11  -16 o  107.786   2.6462  3342.25  164.182  3066.16  221.801  3676.88  244.186  102.896   3.7323  112.676   3.7523 -9.780731 5.292483 
1 1 1   15   12  -16 o  147.499   2.6727  6191.63  195.918  6517.88  400.371  6088.91  224.652  149.900   4.6246  145.099   2.6808 4.800812 5.345441 
1 1 1   15   13  -16 o   38.139   6.4464  484.158  154.111  141.953  252.930  686.213  194.353   27.783   10.866   48.496   6.9390 -20.71333 12.89286 
1 1 1   15   14  -16 o   49.687   6.0907  734.239  158.972  745.539  280.908  728.915  192.820   49.381   10.188   49.993   6.6781 -0.6121902 12.18138 
1 1 1   15   15  -16 o   29.919   6.9707  213.475  150.559  412.989  225.601   53.259  202.166   36.821   10.238   23.017   9.4630 13.80389 13.94144 
1 1 1   15   16  -16 o   58.354   4.8585  949.494  159.901  1281.97  258.545  743.551  203.485   66.263   6.7558   50.446   6.9843 15.81719 9.717087 
1 1 1   15   17  -16 o   97.406   3.5148  2793.13  169.868  2686.21  339.978  2828.71  196.100   95.987   6.1327   98.824   3.4358 -2.836548 7.029562 
1 1 1   15   18  -16 o   70.840   3.9586  1488.43  156.457  1347.71  249.542  1579.58  200.833   67.943   6.3593   73.737   4.7159 -5.793488 7.917136 
1 1 1   15   19  -16 o   81.787   3.1932  1908.42  148.382  1763.67  190.565  2131.31  236.475   77.947   4.2331   85.626   4.7818 -7.678467 6.386322 
1 1 1   15   20  -16 o  150.000   2.5375  6549.55  205.537  6450.33  360.266  6597.42  250.262  149.046   4.1852  150.955   2.8705 -1.909058 5.075032 
1 1 1   15   21  -16 o  127.770   2.2950  4739.32  167.856  4793.54  223.739  4669.52  253.876  128.640   3.0115  126.901   3.4639 1.738586 4.589987 
1 1 1   15   22  -16 o  136.571   2.5894  5399.77  204.244  5399.77  204.244   0.0000   0.0000  136.571   2.5894  ?   ?       ?      ? 
1 1 1   15   23  -16 o   20.621   6.7077 -189.8533  182.482 -258.3727  243.031 -101.2931  276.296   18.482   8.7213   22.759   10.194 -4.276537 13.41542 
1 1 1   15   24  -16 o   90.380   3.2334  2375.77  155.234  2365.59  185.949  2399.18  281.972   90.236   3.5681   90.524   5.3933 -0.2879868 6.466774 
1 1 1   15   25  -16 o   27.754   7.6827  148.240  178.655  227.760  271.958   87.872  236.956   30.356   11.419   25.152   10.282 5.204077 15.36538 
1 1 1   15   26  -16 o   88.324   3.5329  2213.78  138.869  2172.63  152.925  2407.22  331.594   86.485   3.0616   90.162   6.3679 -3.676620 7.065700 
1 1 1   15   27  -16 o   18.137   5.8429 -138.7579  140.155 -276.6860  201.279  -8.9351  195.275   15.756   7.5730   20.518   8.8998 -4.761637 11.68572 
1 1 1   15   28  -16 o   90.857   2.7355  2418.94  139.700  2392.29  224.275  2435.83  178.576   90.313   4.2998   91.401   3.3829 -1.087326 5.471006 
1 1 1   15   29  -16 o   38.895   6.6819  518.731  142.655  376.723  272.745  572.209  167.374   34.228   11.590   43.563   6.6525 -9.335442 13.36380 
1 1 1   15   30  -16 f   27.477   8.1587  240.312  138.872   0.0000   0.0000  240.312  138.872  ?   ?    27.477   8.1587      ?      ? 
1 1 1   15   31  -16 o   66.110   4.7447  1240.64  138.868  1507.21  339.216  1186.97  152.207   68.862   8.5292   63.358   4.1595 5.504051 9.489409 
1 1 1   15   32  -16 o   25.862   7.6331  109.104  176.418  247.393  320.930   49.221  211.189   29.803   12.046   21.920   9.3785 7.882591 15.26625 
1 1 1   15   33  -16 o   27.872   7.7314  180.492  181.738   49.753  229.159  402.105  298.355   22.393   9.6770   33.352   12.061 -10.95898 15.46286 
1 1 1   15   34  -16 o   23.277   6.1005  152.627  112.706   78.074  161.254  223.832  157.591   20.489   8.4408   26.066   8.8102 -5.577744 12.20107 
1 1 1   15   35  -16 o   38.171   6.2533  494.694  128.975  533.592  225.569  475.801  157.208   38.376   10.056   37.965   7.4358 0.4112740 12.50656 
1 1 1   15   36  -16 o   19.708   6.4089 -21.2143  129.787 -37.5733  314.173 -17.8481  142.516   22.846   10.481   16.570   7.3784 6.276079 12.81774 
1 1 1   15   37  -16 o   51.187   5.5493  882.609  159.219  790.475  226.926  971.945  223.454   47.720   8.5477   54.653   7.0792 -6.933163 11.09855 
1 1 1   15   38  -16 o   41.894   6.7889  763.686  152.615  432.223  322.546  859.298  173.233   31.639   12.299   52.150   5.7516 -20.51126 13.57783 
1 1 1   15    0  -17 o   18.598   8.4544   18.947  198.874   37.505  243.815 -17.9446  343.768   17.645   11.160   19.551   12.703 -0.000000 0.000000 
1 1 1   15    1  -17 o  116.215   2.3155  3894.87  146.636  3949.15  254.420  3867.86  179.437  116.779   3.7723  115.651   2.6865 1.128136 4.631089 
1 1 1   15    2  -17 o   70.237   3.3870  1425.87  136.906  1266.22  188.051  1605.91  199.701   66.059   4.9290   74.414   4.6466 -8.355110 6.773918 
1 1 1   15    3  -17 o  101.703   3.0835  2991.86  179.435  3043.80  274.070  2952.89  237.384  102.449   4.6320  100.956   4.0713 1.492767 6.166910 
1 1 1   15    4  -17 o   59.448   4.8310  1049.02  162.722  1215.34  223.025  859.698  237.946   64.645   5.9736   54.252   7.5941 10.39301 9.662009 
1 1 1   15    5  -17 o  144.816   1.9557  6129.13  157.547  5820.61  256.966  6314.95  199.426  141.834   3.1370  147.799   2.3363 -5.964813 3.911372 
1 1 1   15    6  -17 o  137.503   2.0362  5502.33  158.663  5288.61  247.103  5652.26  206.963  135.193   3.1647  139.812   2.5631 -4.619293 4.072451 
1 1 1   15    7  -17 o  200.898   2.6901 11672.00  312.125   0.0000   0.0000 11672.00  312.125  ?   ?   200.898   2.6901      ?      ? 
1 1 1   15    8  -17 o   73.773   4.0637  1579.49  172.781  1541.23  235.691  1623.95  254.037   72.821   5.6040   74.725   5.8863 -1.903893 8.127389 
1 1 1   15    9  -17 o  204.729   2.0641 12114.32  244.060   0.0000   0.0000 12114.32  244.060  ?   ?   204.729   2.0641      ?      ? 
1 1 1   15   10  -17 o  123.269   3.2576  4497.05  203.434  4598.93  237.951  4220.33  392.180  126.054   3.2685  120.485   5.6360 5.569588 6.515147 
1 1 1   15   11  -17 o  125.337   3.2608  4424.61  220.732  4929.89  397.943  4200.06  265.283  130.263   5.2895  120.410   3.8147 9.852982 6.521561 
1 1 1   15   12  -17 o  108.027   3.8225  3483.40  217.467  3163.32  389.932  3627.90  261.997  104.174   6.4810  111.880   4.0547 -7.705894 7.644902 
1 1 1   15   13  -17 o  113.592   2.3063  3714.91  150.285  3903.98  228.311  3570.35  199.634  116.117   3.4045  111.068   3.1121 5.047951 4.612560 
1 1 1   15   14  -17 o   28.802   6.7516  195.168  131.714   99.219  164.499  366.578  219.867   22.737   8.7989   34.867   10.243 -12.13032 13.50315 
1 1 1   15   15  -17 o   18.869   6.5693 -569.1902  174.597 -166.8500  371.634 -683.1472  197.783   26.026   11.726   11.712   5.9265 14.31404 13.13853 
1 1 1   15   16  -17 o  110.680   2.4303  3519.74  143.068  3475.40  171.136  3622.67  260.721  109.598   2.7037  111.762   4.0392 -2.164482 4.860547 
1 1 1   15   17  -17 o  125.897   2.5457  4512.52  167.053  4782.67  317.373  4408.98  196.473  128.362   4.2810  123.432   2.7561 4.930489 5.091480 
1 1 1   15   18  -17 o   33.737   7.5903  324.594  153.316  347.808  297.202  316.176  178.967   35.216   12.097   32.259   9.1716 2.956940 15.18053 
1 1 1   15   19  -17 o   47.790   6.8739  700.503  181.523  715.110  279.073  689.791  238.987   48.069   10.358   47.511   9.0399 0.5581589 13.74789 
1 1 1   15   20  -17 o   97.055   3.7697  2742.34  194.661  2734.08  233.546  2761.14  352.317   97.005   4.1686   97.106   6.2821 -0.1011505 7.539376 
1 1 1   15   21  -17 o   31.748   7.5106  161.581  142.757  563.479  322.358   63.531  159.221   42.411   12.386   21.085   8.4978 21.32638 15.02110 
1 1 1   15   22  -17 o   59.002   4.8217  945.299  139.518  1183.39  301.252  880.287  157.418   63.086   8.2683   54.919   4.9630 8.166645 9.643424 
1 1 1   15   23  -17 o  116.821   2.5941  3923.74  160.007  3861.84  190.230  4073.48  295.847  115.413   2.8539  118.228   4.3327 -2.814781 5.188176 
1 1 1   15   24  -17 o   19.863   6.4279 -110.7813  156.799  -6.3219  178.100 -470.8008  330.638   19.821   8.5484   19.905   9.6019 -0.8405304E-01 12.85586 
1 1 1   15   25  -17 o   37.031   6.4332  432.974  136.583  448.312  189.134  416.258  197.449   37.768   8.8291   36.294   9.3592 1.474266 12.86648 
1 1 1   15   26  -17 o   29.196   7.5481  239.822  160.880   36.153  339.219  298.928  182.740   27.435   11.815   30.958   9.3970 -3.523409 15.09622 
1 1 1   15   27  -17 o   35.308   5.7367  386.600  126.130  630.695  181.303  157.658  175.585   45.828   6.8499   24.789   9.2041 21.03937 11.47335 
1 1 1   15   28  -17 o   25.085   7.3294  116.247  134.183   45.927  358.945  127.671  144.672   27.734   12.048   22.436   8.3499 5.298071 14.65875 
1 1 1   15   29  -17 o   34.955   6.2006  403.603  118.107  417.948  140.427  368.927  218.331   36.521   6.9107   33.389   10.297 3.132767 12.40128 
1 1 1   15   30  -17 o   12.815   4.5134 -337.7686  113.710 -363.6107  206.946 -326.5920  136.096   14.681   7.1956   10.950   5.4504 3.730680 9.026855 
1 1 1   15   31  -17 o   48.983   4.7600  697.675  123.221  858.028  234.469  636.489  144.834   52.082   7.7949   45.884   5.4654 6.197456 9.520058 
1 1 1   15   32  -17 o   23.449   7.3279   25.185  191.180   12.587  245.805   44.474  304.161   22.186   9.7939   24.713   10.903 -2.526775 14.65576 
1 1 1   15   33  -17 f   49.250   7.0391  884.788  190.201  1021.37  244.633  676.037  302.438   56.475   7.5002   42.024   11.914 14.45109 14.07822 
1 1 1   15   34  -17 o   15.537   5.3852 -372.4414  158.005 -221.1968  242.505 -484.0134  208.285   17.785   8.4841   13.289   6.6351 4.496015 10.77050 
1 1 1   15   35  -17 o   21.455   6.2329  100.885  117.723  104.885  141.683   91.965  211.568   20.525   8.1004   22.385   9.4752 -1.860271 12.46576 
1 1 1   15   36  -17 o   27.311   6.7363  229.253  121.200  379.684  226.696  169.045  143.418   31.582   10.567   23.041   8.3573 8.540195 13.47263 
1 1 1   15   37  -17 o   50.357   5.8399  768.390  119.907  1049.08  312.403  719.896  129.852   52.201   10.721   48.513   4.6346 3.688335 11.67987 
1 1 1   15   38  -17 o   23.305   7.1012   50.045  150.492  383.503  310.391 -52.4335  172.070   29.809   11.917   16.801   7.7259 13.00806 14.20243 
1 1 1   15    0  -18 o   10.691   5.6155 -543.5959  167.678 -533.3066  191.329 -577.6664  348.160   8.1547   5.9911   13.228   9.4995 -0.000000 0.000000 
1 1 1   15    1  -18 o   56.309   3.8941  918.568  126.450  865.865  173.354  978.497  184.854   54.589   5.4985   58.030   5.5156 -3.440838 7.788166 
1 1 1   15    2  -18 o   62.611   4.0878  1142.34  143.437  1129.10  232.113  1150.52  182.442   62.264   6.4547   62.958   5.0176 -0.6937675 8.175550 
1 1 1   15    3  -18 o   50.647   5.9716  785.037  146.368  806.200  169.967  724.304  287.933   52.668   5.5877   48.627   10.555 4.041271 11.94310 
1 1 1   15    4  -18 o   29.611   6.9500  249.273  137.219  282.320  169.792  187.048  232.987   30.726   8.9940   28.495   10.598 2.230343 13.90002 
1 1 1   15    5  -18 o   15.116   5.3523 -504.1529  158.484 -413.5994  180.882 -803.3828  328.811   13.072   6.4678   17.159   8.5298 -4.087590 10.70465 
1 1 1   15    6  -18 o   69.239   5.1618  1435.13  194.765  1287.19  326.279  1517.03  242.760   66.256   8.5267   72.221   5.8200 -5.965622 10.32361 
1 1 1   15    7  -18 o  170.283   2.2500  8308.25  189.838  8230.67  217.732  8554.16  387.657  168.736   2.2342  171.831   3.9063 -3.094864 4.500081 
1 1 1   15    8  -18 o  199.507   2.3297 11522.44  268.404 11430.56  381.570 11612.43  377.622  198.716   3.3247  200.299   3.2643 -1.583328 4.659361 
1 1 1   15    9  -18 o  114.264   2.7237  3825.99  169.460  3917.06  208.887  3650.66  289.826  116.341   3.1088  112.187   4.4731 4.154999 5.447342 
1 1 1   15   10  -18 o  190.545   2.3289 10468.25  240.907 10634.56  421.277 10387.44  293.660  191.586   3.8073  189.504   2.6831 2.081406 4.657769 
1 1 1   15   11  -18 o   26.905   7.5184   82.698  193.169 -390.7343  363.285  269.319  228.086   22.607   10.666   31.203   10.599 -8.595909 15.03683 
1 1 1   15   12  -18 o  155.479   2.3062  6998.88  207.074  7012.15  291.593  6985.38  294.116  155.629   3.2441  155.328   3.2786 0.3015747 4.612326 
1 1 1   15   13  -18 o  108.608   3.5678  3471.12  204.209  3322.11  371.094  3535.84  244.569  106.768   6.0181  110.449   3.8340 -3.680107 7.135600 
1 1 1   15   14  -18 o  172.566   2.0930  8496.47  189.774  8328.85  224.570  8915.18  354.930  169.712   2.2912  175.421   3.5033 -5.708710 4.185982 
1 1 1   15   15  -18 o   51.676   4.4708  786.831  131.396  733.925  200.196  826.869  174.158   50.079   6.9217   53.272   5.6605 -3.193390 8.941589 
1 1 1   15   16  -18 o  144.677   2.0600  6062.72  172.019  6166.74  240.337  5953.46  246.316  145.958   2.8511  143.396   2.9742 2.561508 4.120018 
1 1 1   15   17  -18 o   71.810   3.6718  1509.87  150.337  1556.85  199.250  1447.78  229.074   73.167   4.7152   70.453   5.6298 2.714546 7.343515 
1 1 1   15   18  -18 o  140.860   2.5577  5655.90  185.337  5540.34  216.318  5974.86  359.396  138.339   2.7075  143.381   4.3401 -5.041107 5.115327 
1 1 1   15   19  -18 o   46.821   5.9270  670.777  151.143  703.998  193.097  618.232  242.852   48.952   6.8300   44.690   9.6884 4.261951 11.85391 
1 1 1   15   20  -18 o   87.686   3.7660  2281.86  157.367  2181.75  332.685  2310.72  178.613   86.138   6.6874   89.235   3.4657 -3.096977 7.532071 
1 1 1   15   21  -18 o   24.166   7.3892  -3.8944  186.423 -135.2695  318.442   64.607  229.945   23.987   10.826   24.345   10.059 -0.3576412 14.77849 
1 1 1   15   22  -18 o   15.260   5.3887 -673.1224  188.960 -735.8071  297.616 -630.7874  244.583   16.095   8.0195   14.424   7.2001 1.670992 10.77741 
1 1 1   15   23  -18 o  104.546   3.4700  3178.10  209.519  3178.10  209.519   0.0000   0.0000  104.546   3.4700  ?   ?       ?      ? 
1 1 1   15   24  -18 o  102.687   3.2253  3021.27  178.125  2912.59  214.006  3266.34  321.369   99.980   3.7062  105.394   5.2796 -5.414192 6.450582 
1 1 1   15   25  -18 o   35.772   6.9363  408.371  133.558  378.623  278.145  417.285  152.259   34.888   11.705   36.656   7.4461 -1.768654 13.87269 
1 1 1   15   26  -18 o   54.395   5.7061  878.568  179.260  878.568  179.260   0.0000   0.0000   54.395   5.7061  ?   ?       ?      ? 
1 1 1   15   27  -18 o   13.312   6.6481 -629.6923  135.066 -530.2401  209.709 -700.1918  176.564   13.312   6.6481  ?   ?       ?      ? 
1 1 1   15   28  -18 o   20.212   6.6007 -108.9723  145.787 -22.0463  313.223 -133.0113  164.716   24.666   10.964   15.758   7.3535 8.908042 13.20141 
1 1 1   15   29  -18 o   33.559   5.9568  360.870  115.682  461.725  175.946  284.073  153.533   37.629   8.3173   29.490   8.5298 8.138918 11.91363 
1 1 1   15   30  -18 o   55.237   4.2606  846.899  119.502  1119.30  246.444  763.160  136.641   59.926   7.1206   50.549   4.6804 9.377262 8.521109 
1 1 1   15   31  -18 o   39.277   5.6536  486.844  115.955  462.555  137.702  546.045  214.982   38.757   6.1519   39.797   9.4873 -1.040359 11.30730 
1 1 1   15   32  -18 o   24.328   6.3108  181.903  113.865  206.557  136.481  125.445  206.534   25.147   8.1903   23.509   9.6033 1.637581 12.62156 
1 1 1   15   33  -18 f   45.087   9.5268  712.533  240.303  712.533  240.303   0.0000   0.0000   45.087   9.5268  ?   ?       ?      ? 
1 1 1   15   34  -18 o   42.455   9.9384  651.807  239.382  651.807  239.382   0.0000   0.0000   42.455   9.9384  ?   ?       ?      ? 
1 1 1   15   35  -18 o   45.905   6.0308  706.238  155.314  855.450  241.650  601.217  202.733   50.370   8.3067   41.441   8.7454 8.929684 12.06159 
1 1 1   15   36  -18 o   37.218   6.4278  507.618  133.264  518.487  165.175  487.348  225.559   39.011   7.6043   35.425   10.365 3.586597 12.85562 
1 1 1   15   37  -18 o   48.802   6.0144  842.671  165.733  910.445  239.295  780.190  229.760   51.277   8.0802   46.328   8.9107 4.949818 12.02875 
1 1 1   15    0  -19 o  163.286   2.9803  7714.42  280.846  7714.42  280.846   0.0000   0.0000  163.286   2.9803  163.286   2.9803 -0.000000 0.000000 
1 1 1   15    1  -19 o   67.814   3.5608  1327.44  138.024  1388.85  212.921  1282.93  181.268   69.136   5.3325   66.492   4.7203 2.644318 7.121527 
1 1 1   15    2  -19 o   49.492   4.6359  689.709  127.915  627.672  158.386  806.063  216.910   46.445   5.9047   52.540   7.1484 -6.095093 9.271708 
1 1 1   15    3  -19 o   23.143   5.9037  117.262  108.197   5.8913  160.900  209.192  146.184   19.436   8.2471   26.850   8.4499 -7.414070 11.80741 
1 1 1   15    4  -19 o   88.500   3.9842  2260.14  201.108  2385.95  313.400  2172.06  262.216   90.537   5.9936   86.463   5.2510 4.073708 7.968479 
1 1 1   15    5  -19 o  150.855   2.1235  6587.08  182.985  6599.18  241.699  6570.84  280.083  151.040   2.7708  150.670   3.2187 0.3701019 4.246980 
1 1 1   15    6  -19 o  121.547   2.5600  4280.37  179.608  4111.35  253.810  4449.90  254.199  119.135   3.6888  123.958   3.5507 -4.822220 5.120016 
1 1 1   15    7  -19 o  167.816   2.1767  8214.76  191.548  7995.99  352.873  8306.16  228.076  166.141   3.6775  169.492   2.3299 -3.350662 4.353485 
1 1 1   15    8  -19 o   17.851   5.9445 -340.5583  145.846 -28.5834  257.961 -487.1363  176.819   23.611   10.235   12.092   6.0487 11.51881 11.88892 
1 1 1   15    9  -19 o  157.714   1.9068  7225.13  171.322  7385.63  225.898  7007.83  262.852  159.808   2.4475  155.619   2.9246 4.189484 3.813602 
1 1 1   15   10  -19 o  106.533   3.7039  3238.97  223.068  3022.23  283.675  3590.12  361.079  102.006   4.8152  111.059   5.6294 -9.053558 7.407826 
1 1 1   15   11  -19 o  162.288   2.1205  7633.87  196.713  7547.48  299.556  7699.37  260.835  161.451   3.2126  163.124   2.7686 -1.672668 4.240970 
1 1 1   15   12  -19 o   97.772   2.7209  2755.46  152.490  2648.17  201.956  2897.75  232.580   95.589   3.6582   99.954   4.0289 -4.364655 5.441888 
1 1 1   15   13  -19 o   73.470   4.8409  1519.42  196.997  1382.37  241.758  1790.24  339.845   68.828   6.0817   78.111   7.5333 -9.282265 9.681845 
1 1 1   15   14  -19 o   45.512   5.9912  620.087  146.022  628.083  250.381  615.967  179.756   45.153   9.8762   45.871   6.7852 -0.7176056 11.98241 
1 1 1   15   15  -19 o  179.854   2.2537  9324.99  205.315  9275.50  238.373  9467.22  404.108  179.071   2.3049  180.636   3.8735 -1.564545 4.507412 
1 1 1   15   16  -19 o   75.024   4.3528  1635.80  188.605  1635.80  188.605   0.0000   0.0000   75.024   4.3528  ?   ?       ?      ? 
1 1 1   15   17  -19 o   90.793   3.4588  2325.60  164.372  2581.05  313.129  2228.44  193.118   93.973   5.7695   87.614   3.8165 6.358994 6.917533 
1 1 1   15   18  -19 o   88.806   3.2752  2305.06  167.355  2148.21  241.484  2450.01  232.145   85.849   4.8705   91.762   4.3804 -5.913651 6.550481 
1 1 1   15   19  -19 o  112.250   2.8750  3647.53  173.970  3712.53  308.352  3617.18  210.708  112.839   4.7315  111.662   3.2673 1.177299 5.750022 
1 1 1   15   20  -19 o   55.004   7.6295  947.797  233.565  846.072  323.901  1057.99  337.117   51.721   11.170   58.288   10.396 -6.566811 15.25902 
1 1 1   15   21  -19 o   43.853   6.2267  566.895  157.703   0.0000   0.0000  566.895  157.703  ?   ?    43.853   6.2267      ?      ? 
1 1 1   15   22  -19 o   78.951   3.5799  1837.06  152.159  1801.90  267.561  1853.86  184.984   78.167   5.9267   79.736   4.0170 -1.568703 7.159750 
1 1 1   15   23  -19 o   83.666   3.3519  2057.75  160.676  2007.92  241.273  2097.46  215.385   82.667   5.0535   84.665   4.4048 -1.998161 6.703755 
1 1 1   15   24  -19 o   18.380   6.0180 -155.8535  151.705 -190.3845  217.588 -123.1901  211.623   17.942   8.3985   18.818   8.6216 -0.8758736 12.03607 
1 1 1   15   25  -19 o   15.772   7.9352 -539.6024  115.797 -932.3395  326.575 -483.1234  123.844   15.772   7.9352  ?   ?       ?      ? 
1 1 1   15   26  -19 o   49.017   4.9666  716.502  138.918  812.842  217.923  650.554  180.301   51.646   7.3061   46.388   6.7299 5.257858 9.933284 
1 1 1   15   27  -19 o   13.503   4.7664 -536.1951  150.575 -671.6208  212.176 -398.7883  213.722   12.289   6.2092   14.717   7.2333 -2.427653 9.532858 
1 1 1   15   28  -19 o   60.793   3.3410  1138.75  110.808  965.395  181.266  1242.18  140.016   56.625   5.5427   64.962   3.7320 -8.336735 6.682016 
1 1 1   15   29  -19 o   78.149   3.3396  1841.16  148.722  1943.50  198.658  1710.67  224.322   80.893   4.2522   75.406   5.1509 5.487030 6.679282 
1 1 1   15   30  -19 o   39.458   5.8668  469.623  123.900  701.618  220.262  362.236  149.857   45.873   8.6305   33.043   7.9493 12.83000 11.73354 
1 1 1   15   31  -19 o   45.798   7.0997  642.116  143.332  899.296  359.894  593.634  156.260   47.837   12.783   43.760   6.1828 4.076622 14.19933 
1 1 1   15   32  -19 o   18.749   6.1874 -73.1493  140.783 -32.6400  157.556 -233.5983  313.565   17.106   7.6773   20.392   9.7053 -3.285360 12.37473 
1 1 1   15   33  -19 o   37.779   5.8541  479.477  116.550  476.244  138.376  487.370  216.215   39.016   6.1408   36.542   9.9685 2.474796 11.70816 
1 1 1   15   34  -19 o   52.224   8.5781  1061.52  247.182  1213.17  407.309  973.110  310.998   53.738   13.216   50.711   10.940 3.026997 17.15629 
1 1 1   15   35  -19 o   40.179   6.9415  606.076  158.737  580.029  245.201  624.868  208.269   38.523   10.660   41.834   8.8939 -3.311474 13.88291 
1 1 1   15   36  -19 o   56.894   6.8964  1054.09  179.567  1499.57  407.277  946.599  200.062   59.765   12.212   54.024   6.4120 5.741638 13.79286 
1 1 1   15    0  -20 o   11.020   5.6549 -463.6164  175.492 -459.9793  217.665 -470.3720  296.651   9.6524   7.0105   12.387   8.8751 -0.000000 0.000000 
1 1 1   15    1  -20 o  126.549   2.2107  4632.31  158.835  4618.67  206.355  4652.14  248.809  126.348   2.8279  126.751   3.3988 -0.4032669 4.421432 
1 1 1   15    2  -20 o   60.225   6.2635  1028.69  204.475  961.494  246.034  1178.74  367.663   57.324   7.4314   63.125   10.085 -5.800400 12.52708 
1 1 1   15    3  -20 o  105.625   2.6331  3287.97  151.015  3403.99  186.238  3065.24  258.045  108.456   2.9732  102.794   4.3466 5.662361 5.266177 
1 1 1   15    4  -20 o  128.914   2.4495  4827.96  180.641  4699.72  273.052  4927.77  240.891  127.359   3.7122  130.469   3.1969 -3.109901 4.899031 
1 1 1   15    5  -20 o   62.815   6.6572  1222.91  162.260  1126.12  419.868  1239.90  175.929   60.278   12.472   65.351   4.6612 -5.072430 13.31439 
1 1 1   15    6  -20 o   35.799   6.8030  392.332  142.737  402.210  187.794  378.818  219.651   36.250   9.0092   35.348   10.196 0.9022179 13.60608 
1 1 1   15    7  -20 o   94.896   2.8375  2609.89  155.357  2640.68  225.396  2582.02  214.429   95.422   4.0899   94.371   3.9342 1.050583 5.674997 
1 1 1   15    8  -20 o  102.572   3.1568  3011.99  184.937  3331.13  288.504  2789.37  240.954  107.096   4.6644   98.048   4.2551 9.047951 6.313651 
1 1 1   15    9  -20 o  129.932   2.9369  4886.61  220.389  4886.61  220.389   0.0000   0.0000  129.932   2.9369  ?   ?       ?      ? 
1 1 1   15   10  -20 o  119.922   3.5595  4185.32  210.061  4177.35  429.516  4187.83  240.827  119.624   6.2169  120.221   3.4685 -0.5973740 7.119031 
1 1 1   15   11  -20 o   53.011   5.1933  795.209  143.758  893.332  275.446  758.476  168.533   55.016   8.6689   51.005   5.7211 4.010571 10.38657 
1 1 1   15   12  -20 o   93.985   3.0438  2517.12  162.508  2826.09  259.328  2317.34  208.530   98.613   4.5533   89.357   4.0407 9.256165 6.087674 
1 1 1   15   13  -20 o   78.203   3.1708  1753.10  139.624  1673.33  176.868  1885.03  227.457   75.923   4.0336   80.483   4.8934 -4.560326 6.341535 
1 1 1   15   14  -20 o   16.676   5.7421 -420.6256  169.331 -327.1423  268.911 -482.0481  217.974   18.911   8.9968   14.442   7.1375 4.468249 11.48415 
1 1 1   15   15  -20 o   81.666   4.6225  1980.77  210.433  2058.90  268.084  1855.36  339.653   83.970   5.5279   79.362   7.4103 4.607956 9.245074 
1 1 1   15   16  -20 o  152.770   2.8789  6773.77  223.629  6804.10  436.157  6762.95  260.472  152.767   4.9434  152.773   2.9521 -0.6393433E-02 5.757810 
1 1 1   15   17  -20 o   46.817   7.4480  656.635  186.794  597.347  226.514  782.644  330.227   43.929   9.2219   49.704   11.698 -5.775078 14.89600 
1 1 1   15   18  -20 o   14.448   4.9838 -350.0592  136.530 -454.6272  205.575 -267.5372  182.623   13.986   6.9158   14.910   7.1780 -0.9234600 9.967523 
1 1 1   15   19  -20 o   42.465   6.6356  577.786  158.417  658.777  202.570  450.264  254.184   47.091   7.4481   37.839   10.984 9.252453 13.27110 
1 1 1   15   20  -20 o   52.370   5.0663  803.685  153.234   0.0000   0.0000  803.685  153.234  ?   ?    52.370   5.0663      ?      ? 
1 1 1   15   21  -20 o   42.957   6.6305  598.257  162.544  421.000  247.372  732.941  215.629   36.436   10.905   49.479   7.5457 -13.04316 13.26108 
1 1 1   15   22  -20 o   31.477   6.9714  307.956  140.408  317.686  186.323  295.170  213.591   31.819   9.4508   31.134   10.251 0.6854057 13.94282 
1 1 1   15   23  -20 o   23.362   7.3065 -37.0361  192.146 -51.2060  297.851 -26.9357  251.469   24.084   10.699   22.640   9.9537 1.444206 14.61305 
1 1 1   15   24  -20 o   14.750   5.0854 -316.7294  134.610 -283.6367  214.605 -338.1946  172.839   16.284   7.8248   13.216   6.4974 3.068056 10.17073 
1 1 1   15   25  -20 o   28.045   6.3335  247.335  117.574  293.507  159.136  191.837  174.468   30.230   8.6667   25.860   9.2380 4.369827 12.66695 
1 1 1   15   26  -20 o   93.551   3.3996  2564.04  159.943  2526.85  184.859  2674.76  318.996   92.858   3.4470   94.244   5.8607 -1.386391 6.799192 
1 1 1   15   27  -20 o   32.448   6.9970  360.052  144.866  410.104  188.578  287.986  226.279   34.985   9.2077   29.912   10.538 5.073696 13.99402 
1 1 1   15   28  -20 o   45.780   7.0696  874.798  140.312  449.258  372.597  945.117  151.463   35.324   13.348   56.235   4.6635 -20.91044 14.13918 
1 1 1   15   29  -20 o   56.999   4.1672  975.165  135.564  1206.83  208.386  805.182  178.499   62.828   5.7428   51.169   6.0401 11.65975 8.334490 
1 1 1   15   30  -20 o   57.499   4.4745  1024.45  132.824  1036.19  250.564  1019.86  156.644   56.780   7.6407   58.218   4.6588 -1.437721 8.949022 
1 1 1   15   31  -20 o   47.358   4.4660  688.815  118.572  752.958  195.414  651.438  149.171   48.693   6.9488   46.023   5.6121 2.669945 8.932028 
1 1 1   15   32  -20 o   39.839   5.9782  533.826  132.427  458.946  174.255  636.196  203.745   36.523   8.4317   43.155   8.4771 -6.631805 11.95634 
1 1 1   15   33  -20 o   19.130   5.8086   50.952  101.959   59.574  115.957   21.569  214.064   17.655   7.2020   20.605   9.1155 -2.949697 11.61728 
1 1 1   15   34  -20 o   56.664   5.1047  1034.18  165.332  1249.70  254.683  877.199  217.357   61.737   7.1428   51.592   7.2947 10.14502 10.20943 
1 1 1   15   35  -20 o   53.341   4.7491  876.700  146.305   0.0000   0.0000  876.700  146.305  ?   ?    53.341   4.7491      ?      ? 
1 1 1   15    0  -21 o   62.033   6.0803  1207.35  197.003  1313.05  258.597  1061.16  304.112   66.161   6.9425   57.905   9.9840 -0.000000 0.000000 
1 1 1   15    1  -21 o  105.878   3.4213  3382.88  186.667  2972.57  343.816  3554.37  222.281  100.990   5.8947  110.765   3.4747 -9.774994 6.842567 
1 1 1   15    2  -21 o   83.721   4.0579  2041.04  196.130  2073.92  282.284  2010.34  272.703   84.366   5.7934   83.077   5.6836 1.289337 8.115856 
1 1 1   15    3  -21 o   21.374   6.7988 -128.0336  179.084 -249.9491  267.339 -28.7944  241.199   19.984   9.3399   22.763   9.8825 -2.779671 13.59770 
1 1 1   15    4  -21 o   35.925   6.8259  395.474  144.842  370.505  206.195  419.796  203.508   34.872   9.8203   36.979   9.4834 -2.107468 13.65185 
1 1 1   15    5  -21 o  137.842   2.5222  5496.54  200.796   0.0000   0.0000  5496.54  200.796  ?   ?   137.842   2.5222      ?      ? 
1 1 1   15    6  -21 o   46.493   6.1715  690.925  151.198  527.495  254.664  779.896  187.900   41.308   10.617   51.677   6.2956 -10.36892 12.34290 
1 1 1   15    7  -21 o   32.233   7.0516  293.879  156.473  461.060  217.331  113.948  225.467   38.686   9.7349   25.780   10.205 12.90617 14.10321 
1 1 1   15    8  -21 o   22.055   7.0018 -130.2808  189.514 -17.9023  255.957 -266.6434  281.951   23.674   10.229   20.435   9.5640 3.238560 14.00367 
1 1 1   15    9  -21 o  143.622   2.5417  5968.58  210.832   0.0000   0.0000  5968.58  210.832  ?   ?   143.622   2.5417      ?      ? 
1 1 1   15   10  -21 o   31.974   7.5260  293.491  163.424  247.456  244.169  330.848  219.956   30.666   10.931   33.282   10.347 -2.615973 15.05196 
1 1 1   15   11  -21 o   47.932   6.5035  692.561  170.322  759.323  272.817  649.919  218.033   49.663   9.8594   46.201   8.4838 3.461777 13.00708 
1 1 1   15   12  -21 o   17.940   6.1613 -401.8173  186.191 -543.1824  332.004 -336.9585  224.883   19.419   9.4278   16.461   7.9349 2.958027 12.32259 
1 1 1   15   13  -21 o  117.971   2.3317  4024.46  153.055  4076.22  253.710  3994.84  191.910  118.502   3.7070  117.440   2.8294 1.062218 4.663430 
1 1 1   15   14  -21 o   12.460   6.2347 -516.2452  188.451   0.0000   0.0000 -516.2452  188.451  ?   ?    12.460   6.2347      ?      ? 
1 1 1   15   15  -21 o   62.591   4.0674  1161.61  137.529  1106.32  238.404  1189.19  168.368   61.296   6.7343   63.885   4.5633 -2.588257 8.134779 
1 1 1   15   16  -21 o   91.685   2.5259  2402.11  128.921  2589.38  216.419  2299.10  160.508   94.345   3.9719   89.024   3.1218 5.320107 5.051854 
1 1 1   15   17  -21 o   92.249   2.9852  2566.14  139.737  2295.56  264.927  2670.43  164.478   88.550   5.1802   95.947   2.9682 -7.396484 5.970345 
1 1 1   15   18  -21 f   39.738   7.2641  427.763  169.131  798.188  293.309  243.241  207.014   50.235   10.450   29.242   10.093 20.99362 14.52813 
1 1 1   15   19  -21 o  114.034   2.4688  3790.40  161.109  3834.61  214.588  3733.27  243.903  114.859   3.2349  113.210   3.7303 1.649300 4.937586 
1 1 1   15   20  -21 f   22.604   7.0211 -33.8939  173.800   4.0004  271.582 -60.1774  226.181   24.310   10.520   20.897   9.3010 3.413605 14.04221 
1 1 1   15   21  -21 o   62.325   4.2496  1198.96  142.985  1008.65  238.377  1305.91  178.702   57.961   7.1210   66.688   4.6397 -8.727104 8.499166 
1 1 1   15   22  -21 o  119.634   4.0183  4250.94  276.406  4252.35  410.461  4249.76  373.889  119.494   5.9476  119.775   5.4050 -0.2803192 8.036611 
1 1 1   15   23  -21 o   16.167   5.6556 -378.7791  160.194 -295.2010  181.292 -676.4647  342.146   14.235   6.9240   18.099   8.9444 -3.864100 11.31123 
1 1 1   15   24  -21 o   14.884   5.3464 -541.8529  151.736 -560.1268  172.706 -480.0138  317.705   11.050   5.5854   18.718   9.1180 -7.667290 10.69279 
1 1 1   15   25  -21 f   47.358   6.9550  771.678  167.645  811.785  197.061  666.609  318.954   51.561   6.6175   43.155   12.235 8.406471 13.91005 
1 1 1   15   26  -21 o   60.263   4.0176  1073.79  139.832   0.0000   0.0000  1073.79  139.832  ?   ?    60.263   4.0176      ?      ? 
1 1 1   15   27  -21 o   23.441   6.4303  144.973  123.400  190.147  145.104   26.931  234.558   24.675   8.4534   22.208   9.6920 2.466707 12.86060 
1 1 1   15   28  -21 o   63.272   4.1152  1322.70  135.369  1532.83  168.990  946.420  226.142   71.782   4.0763   54.763   7.1501 17.01899 8.230425 
1 1 1   15   29  -21 o   44.584   5.0568  640.885  126.264  589.884  183.917  686.353  173.653   42.268   7.8221   46.900   6.4110 -4.631706 10.11370 
1 1 1   15   30  -21 o   41.262   5.3156  591.312  118.266  375.637  178.243  760.937  158.073   32.733   9.0997   49.790   5.4971 -17.05629 10.63118 
1 1 1   15   31  -21 o   51.893   4.7946  858.706  133.204  862.873  161.837  849.955  234.544   53.037   5.2834   50.748   8.0023 2.288303 9.589147 
1 1 1   15   32  -21 o   21.389   5.8200   81.521  122.128  248.325  156.747 -176.1844  194.830   26.730   8.7808   16.048   7.6413 10.68225 11.64008 
1 1 1   15   33  -21 o   22.582   6.4331  111.404  143.493  251.251  185.545 -96.7012  226.341   26.595   9.5239   18.570   8.6505 8.024551 12.86611 
1 1 1   15   34  -21 o   28.457   6.5791  292.999  119.868  264.178  147.732  348.535  205.074   27.026   8.4928   29.887   10.050 -2.861002 13.15823 
1 1 1   15    0  -22 o   27.320   9.3510  314.325  211.315  488.020  258.015 -39.5563  368.281   34.864   13.488   19.776   12.955 -0.000000 0.000000 
1 1 1   15    1  -22 o  111.378   2.5618  3592.97  161.367  3578.35  207.901  3615.11  255.927  111.139   3.2390  111.618   3.9701 -0.4792862 5.123691 
1 1 1   15    2  -22 o   15.777   7.9774 -783.5189  159.334 -681.4321  178.387 -1186.3010  354.334  ?   ?    15.777   7.9774      ?      ? 
1 1 1   15    3  -22 o   70.813   3.9718  1471.65  146.503  1484.31  173.632  1440.35  272.960   71.497   4.2049   70.129   6.7393 1.368065 7.943511 
1 1 1   15    4  -22 o   89.535   2.7847  2335.95  142.946  2416.50  192.891  2237.83  212.897   91.285   3.6587   87.786   4.1991 3.498268 5.569465 
1 1 1   15    5  -22 o   83.748   2.9601  2035.41  142.178  2048.86  214.393  2024.84  189.957   83.968   4.4209   83.528   3.9376 0.4393311 5.920273 
1 1 1   15    6  -22 o   31.647   7.1613  300.000  151.363  176.448  250.231  371.294  190.082   28.534   10.901   34.760   9.2903 -6.225853 14.32269 
1 1 1   15    7  -22 o   66.375   5.2250  1323.54  167.137  1347.71  190.927  1244.25  345.753   68.043   4.8584   64.707   9.2519 3.336792 10.44999 
1 1 1   15    8  -22 o   88.252   3.1171  2207.47  155.836  2553.75  251.851  1992.64  198.371   93.684   4.6547   82.819   4.1473 10.86514 6.234288 
1 1 1   15    9  -22 o   38.002   7.7989  412.454  145.889  460.840  370.467  403.573  158.714   39.687   13.508   36.318   7.7996 3.369068 15.59778 
1 1 1   15   10  -22 o   21.982   6.7976 -40.8806  163.282  -3.3582  243.335 -71.6137  220.223   23.320   10.025   20.643   9.1835 2.677399 13.59515 
1 1 1   15   11  -22 o   71.013   3.9912  1481.28  161.410  1516.44  212.835  1433.69  247.631   72.089   5.1120   69.936   6.1308 2.153412 7.982436 
1 1 1   15   12  -22 o   89.545   4.0074  2238.11  189.155  2093.57  222.388  2616.25  359.696   84.776   4.5421   94.314   6.6035 -9.538498 8.014762 
1 1 1   15   13  -22 o   94.653   2.8744  2615.65  156.570  2425.81  225.112  2793.54  217.910   91.278   4.2702   98.028   3.8490 -6.749748 5.748834 
1 1 1   15   14  -22 o   30.120   6.3423  297.000  121.956  104.470  235.314  367.706  142.602   25.631   10.330   34.609   7.3607 -8.978251 12.68452 
1 1 1   15   15  -22 o   24.052   6.6820   89.562  143.617  201.117  193.995 -45.7220  213.632   27.359   9.7446   20.745   9.1455 6.614315 13.36403 
1 1 1   15   16  -22 o   44.929   7.5777  628.604  154.311  615.326  388.734  631.088  168.125   43.633   13.785   46.226   6.2974 -2.592991 15.15539 
1 1 1   15   17  -22 o   57.565   4.8069  897.103  145.730  1207.19  284.052  786.329  169.776   63.471   7.7489   51.660   5.6903 11.81088 9.613778 
1 1 1   15   18  -22 o  101.456   2.8891  3086.50  152.221  3198.87  181.454  2819.57  279.670  104.924   2.9944   97.988   4.9419 6.936752 5.778244 
1 1 1   15   19  -22 o   38.212   7.5945  451.162  169.562  573.996  283.618  382.836  211.528   41.801   11.423   34.623   10.011 7.178352 15.18893 
1 1 1   15   20  -22 o   25.208   6.9411  141.678  145.510  152.683  204.580  130.410  207.007   25.530   9.8313   24.887   9.8010 0.6436367 13.88213 
1 1 1   15   21  -22 o   41.846   7.9859  566.762  179.626  618.474  359.254  549.525  207.413   42.310   13.235   41.381   8.9398 0.9293709 15.97172 
1 1 1   15   22  -22 o   79.763   3.7084  1833.33  165.439  2127.43  277.759  1671.63  205.959   84.356   5.7012   75.170   4.7440 9.185349 7.416858 
1 1 1   15   23  -22 o   42.743   6.6697  597.121  159.907  523.781  215.172  687.590  238.981   39.736   9.5040   45.749   9.3601 -6.013626 13.33934 
1 1 1   15   24  -22 o   26.355   6.7895  198.077  131.989  163.473  170.041  250.530  209.350   24.316   9.0519   28.394   10.122 -4.077610 13.57903 
1 1 1   15   25  -22 o   46.618   4.8645  673.646  124.927  504.946  168.507  879.535  186.156   39.530   7.6573   53.706   6.0016 -14.17580 9.729032 
1 1 1   15   26  -22 o   45.464   6.3603  697.008  160.610  667.325  235.717  722.730  219.431   44.154   9.5233   46.773   8.4332 -2.618767 12.72055 
1 1 1   15   27  -22 o   13.310   4.6760 -426.9144  139.181 -379.5621  191.802 -479.5804  202.278   13.522   6.6851   13.098   6.5397 0.4239159 9.351947 
1 1 1   15   28  -22 o   25.452   7.1694  175.865  139.032  178.397  156.071  166.131  306.004   24.044   8.7186   26.860   11.384 -2.815113 14.33885 
1 1 1   15   29  -22 o   17.511   5.8334 -156.5407  152.354 -133.5488  206.098 -184.2432  226.227   17.451   8.1704   17.571   8.3282 -0.1200161 11.66680 
1 1 1   15   30  -22 o   31.076   6.1758  328.602  115.004  266.474  150.176  416.701  178.831   27.774   8.5359   34.377   8.9276 -6.603611 12.35165 
1 1 1   15   31  -22 o   23.269   5.2864  168.562   99.385  301.345  125.747 -52.4259  162.222   29.858   7.3431   16.680   7.6067 13.17766 10.57271 
1 1 1   15   32  -22 o   41.673   5.4959  592.946  127.908  738.403  182.948  453.857  178.898   47.815   6.6249   35.531   8.7709 12.28426 10.99176 
1 1 1   15   33  -22 o   34.878   5.9525  447.833  103.828  459.330  116.116  401.977  231.901   38.330   5.2453   31.427   10.687 6.902298 11.90492 
1 1 1   15    0  -23 o  ?   ?  -938.3028  195.150 -938.3028  195.150   0.0000   0.0000  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   15    1  -23 o   89.049   3.7110  2309.70  190.587  2488.35  274.526  2143.49  264.798   92.386   5.1451   85.713   5.3491 6.673500 7.421943 
1 1 1   15    2  -23 o   73.715   3.7730  1601.34  149.591  1630.51  182.098  1540.81  262.336   74.901   4.2095   72.529   6.2627 2.371307 7.545947 
1 1 1   15    3  -23 o   37.602   6.6426  428.629  147.083  291.085  199.671  591.807  217.483   31.305   9.8785   43.898   8.8832 -12.59256 13.28514 
1 1 1   15    4  -23 o   92.216   3.0043  2404.45  154.563  2729.98  260.529  2227.64  192.003   96.837   4.6583   87.594   3.7953 9.243149 6.008678 
1 1 1   15    5  -23 o   91.142   2.6575  2389.14  133.103  2339.81  163.841  2484.88  228.262   89.843   3.1576   92.440   4.2755 -2.596901 5.315090 
1 1 1   15    6  -23 o   13.678   4.7750 -430.5877  137.875 -556.5380  207.950 -331.7907  184.175   13.192   6.5932   14.163   6.9088 -0.9708834 9.549974 
1 1 1   15    7  -23 o  121.669   3.0706  4291.16  215.766  4291.16  215.766   0.0000   0.0000  121.669   3.0706  ?   ?       ?      ? 
1 1 1   15    8  -23 o   30.773   8.2544   99.530  145.299  509.454  414.372   42.062  155.150   41.426   14.280   20.120   8.2831 21.30567 16.50880 
1 1 1   15    9  -23 o   74.924   5.3659  1686.64  172.840  1623.55  416.974  1699.72  189.925   73.439   9.8310   76.410   4.3037 -2.971626 10.73178 
1 1 1   15   10  -23 o   11.843   6.0089 -766.2210  128.690 -770.9135  212.431 -763.5006  161.749   11.843   6.0089  ?   ?       ?      ? 
1 1 1   15   11  -23 o   54.645   5.1912  854.885  160.995  1073.80  257.543  714.466  206.263   60.178   7.4101   49.111   7.2721 11.06741 10.38230 
1 1 1   15   12  -23 o   33.431   7.8220  252.477  158.638  545.159  324.781  160.769  181.800   41.407   12.518   25.454   9.3822 15.95380 15.64404 
1 1 1   15   13  -23 f  152.444   2.4992  6907.32  183.489  7035.33  209.403  6484.04  380.795  155.852   2.3264  149.036   4.4240 6.815460 4.998395 
1 1 1   15   14  -23 o  108.205   3.1848  3401.62  199.030  3401.62  199.030   0.0000   0.0000  108.205   3.1848  ?   ?       ?      ? 
1 1 1   15   15  -23 o   19.384   6.0270 -30.5023  128.465 -17.4053  165.889 -50.1236  203.046   18.776   8.1735   19.992   8.8596 -1.216871 12.05398 
1 1 1   15   16  -23 o   56.280   5.2145  950.677  169.122  876.552  238.204  1026.02  240.157   53.989   7.6393   58.570   7.0996 -4.580887 10.42896 
1 1 1   15   17  -23 o  144.956   2.3704  6195.85  171.403  5969.68  340.337  6272.72  198.402  142.838   4.1255  147.073   2.3358 -4.234146 4.740852 
1 1 1   15   18  -23 o   29.452   8.3996  148.006  229.553  315.599  319.595 -30.5959  329.925   33.279   12.406   25.625   11.328 7.654160 16.79921 
1 1 1   15   19  -23 o   22.834   6.2796  114.858  118.619  110.268  176.148  118.667  160.452   22.982   9.0442   22.687   8.7142 0.2958088 12.55926 
1 1 1   15   20  -23 o   13.954   4.9148 -476.4679  146.760 -505.8593  187.310 -429.7367  236.186   12.311   6.1683   15.597   7.6534 -3.286088 9.829669 
1 1 1   15   21  -23 o   51.702   5.2702  829.289  155.010  867.610  205.857  779.109  235.568   53.411   6.6735   49.993   8.1587 3.418015 10.54039 
1 1 1   15   22  -23 o   38.317   6.5717  487.245  140.445  484.627  176.643  491.743  231.563   38.679   8.1639   37.956   10.300 0.7224922 13.14339 
1 1 1   15   23  -23 o   64.317   3.5896  1291.04  125.623  1058.71  203.922  1433.13  159.477   58.996   5.9849   69.637   3.9653 -10.64045 7.179276 
1 1 1   15   24  -23 o   16.608   5.4937 -94.6229  114.654 -66.5665  131.362 -184.3513  234.919   14.927   6.8217   18.289   8.6131 -3.362550 10.98732 
1 1 1   15   25  -23 o   22.795   6.2826  116.230  124.337   20.792  173.812  216.253  177.938   19.448   8.4161   26.142   9.3304 -6.693783 12.56527 
1 1 1   15   26  -23 o   58.132   3.4980  1025.40  114.786  1040.36  148.370  1003.08  181.160   58.956   4.3575   57.309   5.4733 1.646389 6.996075 
1 1 1   15   27  -23 o   64.961   3.9217  1299.86  146.462  1371.93  202.026  1220.03  212.640   67.089   5.2140   62.833   5.8596 4.256077 7.843491 
1 1 1   15   28  -23 o   17.686   6.1334 -356.6588  191.631 -408.9108  349.022 -334.1095  229.281   19.626   9.5596   15.746   7.6868 3.880237 12.26671 
1 1 1   15   29  -23 o   24.333   6.7446  179.710  137.461  242.799  149.777 -157.2570  346.149   26.591   8.5733   22.076   10.414 4.514814 13.48925 
1 1 1   15   30  -23 o   22.559   6.3011  143.479  119.195  156.402  148.621  120.180  199.549   22.565   8.4503   22.552   9.3491 0.1331520E-01 12.60211 
1 1 1   15   31  -23 o   17.997   5.9596 -117.0237  152.221 -40.2142  236.312 -171.4982  199.010   19.847   9.0998   16.147   7.6980 3.700214 11.91915 
1 1 1   15   32  -23 o   17.351   5.4361   6.2733  107.310   24.341  161.498  -8.0104  143.593   18.180   7.9853   16.523   7.3782 1.657743 10.87212 
1 1 1   15    0  -24 o   97.084   4.5716  2783.04  253.341  2798.49  349.612  2765.96  367.622   97.433   6.2725   96.734   6.6524 -0.000000 0.000000 
1 1 1   15    1  -24 o   90.011   2.6734  2352.41  138.145  2337.07  185.215  2371.64  207.393   89.711   3.5748   90.312   3.9762 -0.6012192 5.346857 
1 1 1   15    2  -24 f   46.606   6.7765  669.357  175.826  741.702  261.846  609.953  237.277   48.925   9.6096   44.287   9.5570 4.638241 13.55291 
1 1 1   15    3  -24 o   52.924   4.6110  839.001  134.660  879.389  169.795  770.535  221.071   54.832   5.3618   51.016   7.5031 3.815804 9.221991 
1 1 1   15    4  -24 o   15.240   5.3646 -625.3550  181.535 -562.3215  274.433 -674.3944  242.061   16.500   8.1266   13.980   7.0054 2.520570 10.72928 
1 1 1   15    5  -24 o   49.426   5.4623  723.450  155.047  740.852  233.023  709.626  207.695   49.894   8.0866   48.959   7.3453 0.9356461 10.92457 
1 1 1   15    6  -24 o   66.560   5.1377  1234.62  178.766  1497.84  346.977  1139.50  208.580   70.805   8.4850   62.316   5.7955 8.488670 10.27537 
1 1 1   15    7  -24 o   58.091   4.5599  1001.93  150.502  1220.67  214.815  791.048  210.922   64.483   5.7681   51.699   7.0640 12.78400 9.119839 
1 1 1   15    8  -24 o   73.349   4.8798  1616.49  182.793  1537.71  347.960  1646.52  214.822   71.667   8.4067   75.032   4.9573 -3.365479 9.759533 
1 1 1   15    9  -24 o   51.796   7.5119  847.189  218.686  913.669  290.877  760.761  331.658   55.008   9.1558   48.584   11.912 6.424168 15.02377 
1 1 1   15   10  -24 o   43.846   6.1686  606.278  151.357  722.516  204.859  466.551  224.605   49.293   7.1958   38.399   10.021 10.89414 12.33711 
1 1 1   15   11  -24 o   86.321   2.6576  2186.01  129.194  2245.81  166.586  2095.76  204.647   87.901   3.2814   84.741   4.1814 3.159126 5.315269 
1 1 1   15   12  -24 o   27.461   7.3258  182.387  158.066  163.139  213.464  205.753  235.189   26.431   10.075   28.490   10.638 -2.058760 14.65169 
1 1 1   15   13  -24 o  117.151   2.5765  4048.36  171.243  3699.83  261.290  4310.77  226.721  112.561   4.0193  121.741   3.2246 -9.179626 5.152916 
1 1 1   15   14  -24 o   64.220   3.3615  1211.99  124.584  1254.32  175.184  1168.67  177.210   65.381   4.6394   63.059   4.8658 2.321720 6.723075 
1 1 1   15   15  -24 o   16.585   8.1534 -830.3519  170.047 -1030.3571  217.833 -518.3344  272.078  ?   ?    16.585   8.1534      ?      ? 
1 1 1   15   16  -24 o  106.197   2.3700  3290.99  145.255  3428.74  205.158  3152.53  205.687  108.450   3.2755  103.944   3.4263 4.506111 4.740032 
1 1 1   15   17  -24 o   59.477   5.9131  1152.43  169.933  1215.46  200.143  989.612  321.662   63.970   5.4172   54.984   10.512 8.986294 11.82616 
1 1 1   15   18  -24 o   22.065   6.8115  -1.7070  163.888   7.1508  226.396 -11.4593  237.552   22.036   9.5706   22.093   9.6948 -0.5706024E-01 13.62300 
1 1 1   15   19  -24 o   28.575   8.0926  193.909  190.941  192.607  228.119  196.955  348.962   27.060   10.391   30.089   12.409 -3.029633 16.18523 
1 1 1   15   20  -24 o   76.483   3.4565  1742.88  152.568  1748.72  211.980  1736.61  219.758   76.663   4.7876   76.302   4.9868 0.3611755 6.913009 
1 1 1   15   21  -24 o   50.933   5.5513  782.894  163.298   0.0000   0.0000  782.894  163.298  ?   ?    50.933   5.5513      ?      ? 
1 1 1   15   22  -24 o   28.948   7.8542  225.916  162.569  186.891  186.338  350.282  332.642   25.370   9.4695   32.526   12.533 -7.155769 15.70831 
1 1 1   15   23  -24 o   28.263   6.6384  272.849  125.390  308.731  147.622  179.902  237.594   30.407   8.2128   26.118   10.432 4.288219 13.27683 
1 1 1   15   24  -24 o   54.794   3.9246  902.706  121.491  850.722  154.688  986.394  196.270   53.025   5.0512   56.564   6.0080 -3.539383 7.849202 
1 1 1   15   25  -24 o   58.995   3.3611  1024.55  108.275  973.607  131.753  1130.54  190.031   57.166   3.9906   60.824   5.4096 -3.657562 6.722254 
1 1 1   15   26  -24 o   21.948   5.9762  109.602  117.060 -31.6264  175.577  222.615  157.062   18.015   8.0934   25.882   8.7952 -7.866898 11.95235 
1 1 1   15   27  -24 o   50.995   4.6063  821.973  135.629  830.127  190.381  813.570  193.268   51.313   6.4241   50.678   6.6032 0.6345901 9.212576 
1 1 1   15   28  -24 o   41.551   5.6564  581.369  132.667  670.325  190.427  497.474  184.932   45.408   7.2613   37.693   8.6749 7.714481 11.31287 
1 1 1   15   29  -24 o   39.987   5.3282  523.331  108.559  506.715  128.057  565.775  204.669   40.341   5.4962   39.633   9.1296 0.7085495 10.65638 
1 1 1   15   30  -24 o   36.727   5.9105  479.901  122.570  458.005  176.275  500.396  170.546   35.638   8.6513   37.816   8.0554 -2.177757 11.82090 
1 1 1   15   31  -24 o   24.716   5.7779  226.337  104.247  293.378  126.949   87.526  182.671   28.856   7.5356   20.576   8.7608 8.279915 11.55576 
1 1 1   15    0  -25 o   38.881   9.8887  659.593  217.343  751.512  255.259  417.279  414.444   47.253   10.729   30.508   16.614 -0.000000 0.000000 
1 1 1   15    1  -25 o   52.901   4.7271  813.731  143.140  946.317  220.775  717.578  188.010   56.540   6.7610   49.261   6.6083 7.278187 9.454142 
1 1 1   15    2  -25 o   19.882   6.2367 -78.7189  141.574   26.640  222.563 -150.3256  183.482   22.900   9.7072   16.864   7.8332 6.036667 12.47346 
1 1 1   15    3  -25 o   75.392   3.7063  1663.71  156.650  1679.01  254.467  1654.37  198.780   75.534   5.8332   75.250   4.5739 0.2839584 7.412581 
1 1 1   15    4  -25 o   19.774   5.7559  -6.5279  114.508 -135.6042  157.414  138.538  166.879   15.518   7.2239   24.029   8.9630 -8.510818 11.51172 
1 1 1   15    5  -25 f   69.288   3.1602  1438.19  119.504  1286.49  199.406  1523.21  149.283   66.220   5.2139   72.357   3.5723 -6.137581 6.320302 
1 1 1   15    6  -25 o   68.518   4.4109  1328.92  161.438  1544.05  299.191  1240.56  191.746   72.004   7.1946   65.033   5.1051 6.970879 8.821836 
1 1 1   15    7  -25 o   41.706   8.2090  520.019  167.192  601.336  413.160  504.096  182.830   43.113   14.260   40.299   8.1358 2.813961 16.41796 
1 1 1   15    8  -25 o   35.587   7.9851  385.825  149.359  311.047  408.983  397.333  160.441   35.470   13.833   35.703   7.9813 -0.2324944 15.97029 
1 1 1   15    9  -25 f   36.930   7.9914  425.417  165.498  425.417  165.498   0.0000   0.0000   36.930   7.9914  ?   ?       ?      ? 
1 1 1   15   10  -25 o   59.709   5.1356  1056.52  174.707  997.825  226.632  1142.49  274.275   57.828   6.7857   61.590   7.7106 -3.762009 10.27129 
1 1 1   15   11  -25 o   23.054   6.7974   79.232  121.352   7.4168  301.273   93.140  132.583   25.446   11.046   20.663   7.9250 4.782774 13.59480 
1 1 1   15   12  -25 o   16.889   5.8290 -315.3971  148.607 -280.3141  298.052 -327.0041  171.436   20.471   9.6592   13.306   6.5274 7.164673 11.65795 
1 1 1   15   13  -25 o   15.579   5.0884 -96.0399   99.817 -87.7501  175.136 -100.0282  121.478   17.460   7.9396   13.698   6.3664 3.762159 10.17687 
1 1 1   15   14  -25 o   54.952   3.5515  893.344  112.525  883.421  163.390  902.297  155.196   54.621   5.1794   55.283   4.8607 -0.6621857 7.103033 
1 1 1   15   15  -25 o   74.531   3.9718  1617.52  145.850  1731.95  301.510  1582.56  166.644   75.614   6.9043   73.449   3.9284 2.164871 7.943638 
1 1 1   15   16  -25 o   52.324   4.4818  831.380  127.484  809.530  218.817  842.607  156.855   51.403   7.3708   53.246   5.1007 -1.843132 8.963540 
1 1 1   15   17  -25 o   61.762   4.3423  1192.55  146.070  1300.97  184.504  1010.48  239.094   66.179   4.8273   57.344   7.2193 8.834248 8.684504 
1 1 1   15   18  -25 o   37.210   6.4115  459.873  129.357  448.110  233.870  465.058  155.270   36.161   10.547   38.260   7.2930 -2.099483 12.82306 
1 1 1   15   19  -25 o   15.199   5.3048 -322.0008  139.695 -410.5714  276.383 -291.6093  161.898   17.425   8.4919   12.973   6.3600 4.451769 10.60953 
1 1 1   15   20  -25 o   23.357   7.2653   36.797  168.024   35.859  193.676   39.651  337.841   20.862   8.9549   25.851   11.443 -4.989386 14.53070 
1 1 1   15   21  -25 o   30.756   6.2442  321.648  116.439  337.931  152.618  298.968  180.115   31.807   8.2411   29.705   9.3832 2.102789 12.48844 
1 1 1   15   22  -25 o   83.348   2.6504  2082.11  125.514  2226.80  167.195  1895.30  189.989   86.927   3.3303   79.769   4.1239 7.157486 5.300710 
1 1 1   15   23  -25 o   57.255   4.1701  1011.65  137.107  1016.05  184.847  1006.27  204.427   57.599   5.5567   56.912   6.2194 0.6870842 8.340141 
1 1 1   15   24  -25 o   12.439   4.2911 -249.7864  103.315 -141.4634  132.141 -420.1382  165.710   13.232   6.2985   11.645   5.8296 1.587233 8.582262 
1 1 1   15   25  -25 f   23.708   6.0152  177.118  104.192  169.897  160.355  182.395  137.070   23.624   8.7911   23.791   8.2126 -0.1678467 12.03040 
1 1 1   15   26  -25 o   31.419   6.6026  352.957  128.480  383.173  188.094  326.528  175.913   32.583   9.4460   30.256   9.2278 2.326942 13.20527 
1 1 1   15   27  -25 o   44.572   4.6098  613.528  113.909  710.905  194.833  562.957  140.405   46.684   7.2262   42.460   5.7256 4.224533 9.219542 
1 1 1   15   28  -25 o   24.874   5.5263  201.590   96.039   90.589  133.653  320.091  138.094   19.422   7.8004   30.326   7.8304 -10.90357 11.05269 
1 1 1   15   29  -25 o   31.589   5.8719  370.271  107.703  402.413  133.299  309.830  182.793   34.539   6.9234   28.639   9.4859 5.900568 11.74378 
1 1 1   15    0  -26 o   78.335   4.8447  1843.34  207.751  1852.68  262.851  1827.79  339.119   79.007   5.8336   77.664   7.7365 -0.000000 0.000000 
1 1 1   15    1  -26 o   33.668   7.4554  353.767  157.904  343.353  261.699  359.729  198.010   33.601   11.353   33.735   9.6663 -0.1341515 14.91090 
1 1 1   15    2  -26 o   63.930   4.0617  1217.24  148.669  1071.07  214.716  1351.85  206.050   60.098   6.1862   67.762   5.2650 -7.664959 8.123353 
1 1 1   15    3  -26 o   18.689   6.0105 -98.5034  140.700 -231.3715  239.624 -28.5913  173.819   18.489   8.7048   18.888   8.2904 -0.3985844 12.02105 
1 1 1   15    4  -26 o   60.134   3.5735  1064.02  124.062  1043.79  176.672  1083.70  174.253   59.552   5.1367   60.716   4.9692 -1.164387 7.146958 
1 1 1   15    5  -26 o   58.773   7.2246  1232.21  168.168  883.043  408.845  1303.31  184.498   50.935   13.630   66.611   4.7958 -15.67637 14.44911 
1 1 1   15    6  -26 o   10.809   5.4704 -580.0807  115.267 -573.5663  168.899 -585.7599  157.701   10.809   5.4704  ?   ?       ?      ? 
1 1 1   15    7  -26 o   10.839   5.4621 -489.9151  158.105   0.0000   0.0000 -489.9151  158.105  ?   ?    10.839   5.4621      ?      ? 
1 1 1   15    8  -26 o   47.137   5.7569  700.729  149.810  810.443  203.822  571.814  220.939   51.990   6.7881   42.284   9.3000 9.705448 11.51384 
1 1 1   15    9  -26 o   14.693   5.1108 -405.5579  149.516 -354.8006  193.683 -480.4154  235.212   14.257   6.9822   15.129   7.4652 -0.8723364 10.22156 
1 1 1   15   10  -26 o   60.644   4.6738  1083.42  163.699   0.0000   0.0000  1083.42  163.699  ?   ?    60.644   4.6738      ?      ? 
1 1 1   15   11  -26 o   32.295   7.1138  328.595  130.273  300.473  291.546  335.611  145.619   32.072   11.870   32.517   7.8444 -0.4447098 14.22766 
1 1 1   15   12  -26 o   19.460   6.1151 -81.1995  139.121   61.261  215.573 -182.8800  182.123   22.972   9.6352   15.947   7.5326 7.024645 12.23020 
1 1 1   15   13  -26 o   13.833   4.8206 -315.2407  119.103 -262.0427  210.908 -340.1489  144.317   16.289   7.8085   11.378   5.6550 4.911196 9.641150 
1 1 1   15   14  -26 o   39.099   5.7036  490.732  124.575  556.153  177.765  427.599  174.629   41.909   7.6253   36.289   8.4840 5.619576 11.40719 
1 1 1   15   15  -26 o   57.628   5.0433  958.269  132.204  1133.88  309.844  919.183  146.178   59.584   9.0038   55.672   4.5463 3.912647 10.08652 
1 1 1   15   16  -26 o   88.918   3.4327  2448.83  158.800  2588.53  191.005  2136.12  285.771   93.860   3.5235   83.976   5.8922 9.883858 6.865391 
1 1 1   15   17  -26 o   16.650   7.8406 -167.5680  194.595   0.0000   0.0000 -167.5680  194.595  ?   ?    16.650   7.8406      ?      ? 
1 1 1   15   18  -26 o   59.104   4.6088  982.607  144.199  853.134  168.604  1335.27  278.264   53.057   5.5022   65.150   7.3953 -12.09312 9.217650 
1 1 1   15   19  -26 o   24.647   6.9569  152.126  146.102  153.592  184.179  149.640  239.949   23.972   9.3011   25.322   10.348 -1.349344 13.91385 
1 1 1   15   20  -26 o   33.842   7.1872  407.590  153.871  333.908  219.588  478.671  215.678   30.895   10.400   36.790   9.9229 -5.894434 14.37441 
1 1 1   15   21  -26 o   32.630   7.2680  399.820  145.387  435.199  160.377  236.670  344.401   36.122   7.9069   29.138   12.197 6.983894 14.53608 
1 1 1   15   22  -26 o   74.964   2.8338  1673.53  122.565  1618.46  168.746  1735.01  178.317   73.686   3.9652   76.242   4.0496 -2.555733 5.667652 
1 1 1   15   23  -26 o   17.615   5.8429 -140.0864  149.713 -152.6938  204.059 -125.3886  220.327   17.016   8.0179   18.213   8.5012 -1.196861 11.68575 
1 1 1   15   24  -26 o   36.637   5.4681  451.499  112.075  425.061  156.921  479.028  160.124   35.420   7.8748   37.853   7.5886 -2.432571 10.93615 
1 1 1   15   25  -26 o   15.057   4.9334 -129.2095  110.109   8.1917  142.974 -329.4938  172.618   17.251   7.5467   12.863   6.3560 4.387644 9.866710 
1 1 1   15   26  -26 o   21.860   6.3078   91.247  125.570   9.5910  159.910  222.587  202.805   17.991   7.9229   25.730   9.8175 -7.739292 12.61567 
1 1 1   15   27  -26 o   17.346   5.7766 -120.2932  144.453 -134.9719  183.738 -96.5361  233.750   15.965   7.5485   18.727   8.7462 -2.762555 11.55315 
1 1 1   15   28  -26 o   56.051   4.5955  1026.26  126.495  1017.70  252.788  1029.12  146.103   54.101   8.0903   58.002   4.3614 -3.901348 9.191072 
1 1 1   15    0  -27 f   93.320   4.8178  2575.48  248.051  2489.32  311.441  2724.95  410.215   91.566   5.9467   95.073   7.5818 -0.000000 0.000000 
1 1 1   15    1  -27 o   21.818   6.3374   26.665  137.729  169.460  192.107 -124.3571  197.563   25.677   9.6089   17.958   8.2655 7.719221 12.67478 
1 1 1   15    2  -27 o   43.290   6.2841  603.796  150.703  655.985  194.119  524.622  239.094   46.574   7.2167   40.006   10.290 6.567917 12.56815 
1 1 1   15    3  -27 o   35.792   7.0302  414.032  149.566  440.743  227.144  393.586  198.730   36.707   10.297   34.877   9.5746 1.830486 14.06031 
1 1 1   15    4  -27 o   63.790   3.9756  1194.69  145.260  1005.95  194.588  1432.25  218.310   58.113   5.7977   69.468   5.4413 -11.35519 7.951196 
1 1 1   15    5  -27 o   24.006   7.3470   8.1675  149.695  161.242  342.819 -27.8958  166.397   29.682   12.275   18.331   8.0768 11.35112 14.69403 
1 1 1   15    6  -27 o   15.136   5.1500 -251.4092  124.974 -162.6027  204.384 -304.4413  157.940   17.569   8.1961   12.702   6.2381 4.866341 10.29999 
1 1 1   15    7  -27 o   57.297   4.6948  983.830  153.563  1038.27  238.217  945.119  200.869   58.483   7.0527   56.110   6.1985 2.373268 9.389509 
1 1 1   15    8  -27 o   31.772   6.5010  321.903  122.668  343.377  204.480  309.830  153.321   32.485   9.9565   31.059   8.3618 1.426039 13.00193 
1 1 1   15    9  -27 o   46.800   5.2800  610.273  130.585  835.908  253.149  528.464  152.431   51.750   8.4700   41.851   6.3065 9.898956 10.55994 
1 1 1   15   10  -27 o   61.292   5.0516  1165.76  160.719  1111.59  296.529  1188.30  191.246   59.462   8.6346   63.123   5.2459 -3.661270 10.10328 
1 1 1   15   11  -27 o   51.334   4.7141  817.068  132.084  850.372  164.592  756.822  221.372   53.315   5.3453   49.353   7.7665 3.961643 9.428182 
1 1 1   15   12  -27 o   15.707   5.4381 -314.6130  147.088 -279.4625  174.483 -400.9370  273.434   13.923   6.7770   17.491   8.5067 -3.567926 10.87622 
1 1 1   15   13  -27 o   42.185   5.2261  573.835  121.196  722.899  169.317  417.213  173.557   48.798   6.0078   35.573   8.5530 13.22555 10.45212 
1 1 1   15   14  -27 o   29.960   6.4648  305.743  115.194  228.775  240.296  328.709  131.260   27.993   10.685   31.926   7.2801 -3.932825 12.92957 
1 1 1   15   15  -27 o   13.822   4.7832 -339.3854  117.996 -113.8476  189.879 -481.2739  150.606   17.312   8.0159   10.331   5.2211 6.981133 9.566365 
1 1 1   15   16  -27 o   19.856   5.8329   52.556  114.920 -197.4786  232.653  133.251  132.170   17.944   8.4874   21.769   8.0034 -3.824936 11.66575 
1 1 1   15   17  -27 o   12.055   4.4188 -449.1572  111.772 -863.6552  304.736 -384.7270  120.145   14.865   7.5024   9.2446   4.6710 5.620815 8.837672 
1 1 1   15   18  -27 o   19.970   5.8639   38.332  115.320  149.404  171.322 -53.6845  155.935   23.342   8.9945   16.598   7.5260 6.744226 11.72784 
1 1 1   15   19  -27 f   51.668   5.0968  810.553  152.093  810.553  152.093   0.0000   0.0000   51.668   5.0968  ?   ?       ?      ? 
1 1 1   15   20  -27 o   13.916   4.9774 -756.9774  186.260 -686.7278  285.520 -809.0209  245.753   15.118   7.5803   12.715   6.4525 2.403090 9.954700 
1 1 1   15   21  -27 f   75.067   4.7653  1729.05  182.305  1664.72  211.838  1912.73  357.951   73.996   4.9569   76.139   8.1401 -2.143394 9.530617 
1 1 1   15   22  -27 o   49.364   4.5722  786.419  126.765  901.118  170.941  646.271  188.956   54.057   5.4753   44.672   7.3239 9.384769 9.144345 
1 1 1   15   23  -27 o   40.370   6.1297  601.875  143.391  349.228  215.923  801.198  191.788   30.643   10.313   50.097   6.6287 -19.45423 12.25945 
1 1 1   15   24  -27 o   24.647   6.7767  108.628  138.488 -22.8463  167.245  395.436  247.018   17.543   7.8885   31.751   11.021 -14.20831 13.55347 
1 1 1   15   25  -27 o   69.473   3.8038  1520.53  149.169  1593.92  195.193  1417.49  231.281   72.132   4.6855   66.814   5.9936 5.317589 7.607677 
1 1 1   15   26  -27 o   48.699   4.7666  778.638  134.012  771.657  186.682  786.061  192.496   48.545   6.6584   48.852   6.8226 -0.3071671 9.533272 
1 1 1   15    0  -28 o   47.507   8.8157  739.086  217.401  739.086  217.401   0.0000   0.0000   47.507   8.8157   47.507   8.8157 -0.000000 0.000000 
1 1 1   15    1  -28 o   47.293   4.2369  676.642  115.007  723.904  158.245  623.732  167.434   49.182   5.5710   45.404   6.3851 3.778534 8.473804 
1 1 1   15    2  -28 o   19.435   6.3306 -96.4077  153.520  -7.2696  174.285 -405.0511  324.307   19.147   8.3554   19.722   9.5127 -0.5750847 12.66116 
1 1 1   15    3  -28 o   57.858   3.4718  997.274  114.512  976.618  175.484  1012.59  151.121   57.196   5.3123   58.520   4.4713 -1.323383 6.943592 
1 1 1   15    4  -28 o   19.512   5.8675 -38.4337  125.097 -191.0064  170.800  138.122  183.734   15.065   7.1680   23.959   9.2915 -8.894043 11.73507 
1 1 1   15    5  -28 o   27.192   7.2630  205.717  163.213 -111.9905  339.704  301.065  186.099   23.982   10.964   30.402   9.5285 -6.419609 14.52591 
1 1 1   15    6  -28 o   21.245   6.5057   16.500  142.487   40.128  233.997   2.5750  179.630   22.894   9.8356   19.596   8.5180 3.298203 13.01133 
1 1 1   15    7  -28 o   34.728   8.0569  344.840  166.417  262.457  191.074  603.672  338.682   28.707   9.7011   40.749   12.866 -12.04115 16.11378 
1 1 1   15    8  -28 o   11.336   4.0484 -562.2654  126.649 -626.0422  188.389 -509.6717  171.077   11.363   5.7539   11.309   5.6966 0.5434418E-01 8.096814 
1 1 1   15    9  -28 o   16.047   5.4479 -250.4314  145.779 -236.1380  196.674 -267.8593  217.171   15.734   7.5419   16.359   7.8637 -0.6255331 10.89582 
1 1 1   15   10  -28 o   38.500   5.4121  493.646  116.068  616.513  156.310  342.637  173.289   44.999   6.0145   32.001   8.9994 12.99801 10.82423 
1 1 1   15   11  -28 o   47.010   7.0212  763.524  138.753  771.956  150.816  717.049  354.077   50.657   5.1550   43.363   13.062 7.293781 14.04250 
1 1 1   15   12  -28 o   38.004   5.7769  469.865  122.016  527.982  187.956  427.535  160.411   39.919   8.4176   36.089   7.9141 3.830421 11.55373 
1 1 1   15   13  -28 o   54.903   4.2780  898.006  131.854  815.503  165.136  1043.12  219.009   51.801   5.5198   58.006   6.5374 -6.205570 8.556001 
1 1 1   15   14  -28 o   26.487   6.0895  229.180  105.862  240.043  162.700  221.206  139.407   26.985   8.9499   25.989   8.2599 0.9966621 12.17896 
1 1 1   15   15  -28 o   38.951   5.7762  507.932  125.699  543.096  174.314  469.838  181.432   40.677   7.7020   37.226   8.6102 3.450794 11.55233 
1 1 1   15   16  -28 o   64.364   5.4207  1304.03  168.089  1280.34  191.247  1384.47  352.395   64.957   5.0978   63.771   9.5680 1.186092 10.84134 
1 1 1   15   17  -28 f   22.526   6.5574  108.626  136.369   99.383  211.509  115.201  178.400   22.807   9.5539   22.245   8.9846 0.5620785 13.11489 
1 1 1   15   18  -28 f   14.590   5.2421 -404.0292  134.993 -440.9006  316.689 -395.8421  149.229   18.264   8.9412   10.917   5.4747 7.347074 10.48413 
1 1 1   15   19  -28 o   43.188   6.6086  658.369  160.296  735.221  226.471  581.215  226.914   46.241   8.8017   40.134   9.8604 6.106243 13.21728 
1 1 1   15   20  -28 o   30.821   7.4258  345.698  141.561  358.093  154.548  281.108  352.796   32.197   8.2683   29.446   12.337 2.750086 14.85165 
1 1 1   15   21  -28 o   53.464   6.8899  1006.56  177.736  994.476  205.292  1042.72  355.153   56.020   6.3452   50.907   12.232 5.112038 13.77975 
1 1 1   15   22  -28 o   15.468   5.2852 -243.7392  143.702 -309.8553  204.173 -178.8361  202.291   14.652   7.1741   16.285   7.7632 -1.633834 10.57044 
1 1 1   15   23  -28 o   27.814   6.1269  269.010  112.704  378.902  166.953  177.000  152.766   32.350   8.7324   23.277   8.5967 9.073006 12.25386 
1 1 1   15   24  -28 o   54.496   4.8344  990.095  136.009  1014.01  162.384  933.896  248.953   57.231   4.9128   51.761   8.3278 5.470005 9.668896 
1 1 1   15    0  -29 o   18.622   8.3574 -56.1465  206.729 -304.4891  271.734  285.090  318.527   12.660   8.9668   24.585   14.106 -0.000000 0.000000 
1 1 1   15    1  -29 o   37.294   6.4316  499.142  138.998  583.896  168.553  318.999  245.734   43.528   6.7048   31.059   10.978 12.46853 12.86315 
1 1 1   15    2  -29 o   41.874   6.9303  584.650  163.243  697.322  253.813  505.159  213.187   45.204   9.9880   38.544   9.6101 6.660732 13.86052 
1 1 1   15    3  -29 o   37.967   6.6636  491.362  143.770  467.510  228.172  507.067  185.148   36.689   10.330   39.245   8.4209 -2.555767 13.32728 
1 1 1   15    4  -29 o   20.363   6.1011   43.470  124.580   2.1310  189.994   74.649  165.003   19.884   8.6991   20.842   8.5567 -0.9578609 12.20213 
1 1 1   15    5  -29 o   27.940   7.1500  245.916  149.239  282.641  193.982  192.652  233.612   29.234   9.7752   26.646   10.437 2.588074 14.29994 
1 1 1   15    6  -29 o   34.839   6.8074  386.411  136.911  544.611  235.073  305.201  168.425   39.507   10.224   30.172   8.9908 9.334551 13.61485 
1 1 1   15    7  -29 o   52.952   6.0507  930.465  176.245  750.051  256.004  1093.02  243.001   46.803   9.7857   59.101   7.1192 -12.29774 12.10137 
1 1 1   15    8  -29 f   23.855   6.5447  138.844  135.450  229.574  180.870   22.984  204.388   26.816   9.4239   20.895   9.0842 5.921326 13.08941 
1 1 1   15    9  -29 o   21.715   6.5527  -3.9532  139.295 -101.1890  168.428  206.494  247.784   16.332   7.5577   27.098   10.707 -10.76637 13.10546 
1 1 1   15   10  -29 o   15.518   5.3887 -392.1151  150.476 -519.3511  189.197 -173.0649  248.245   12.109   6.0852   18.928   8.8952 -6.818625 10.77742 
1 1 1   15   11  -29 o   52.531   4.6341  841.352  134.385  927.720  229.985  796.575  165.597   54.017   7.3720   51.045   5.6171 2.971249 9.268137 
1 1 1   15   12  -29 o   27.157   7.2674  231.741  155.198  245.572  199.844  210.723  246.347   27.382   9.8754   26.933   10.665 0.4487782 14.53484 
1 1 1   15   13  -29 o   53.417   4.4789  913.011  121.998  829.857  227.399  946.617  144.563   50.670   7.7705   56.163   4.4568 -5.492813 8.957876 
1 1 1   15   14  -29 o   34.149   6.5098  439.573  134.409  277.259  239.665  514.047  162.342   28.695   10.734   39.604   7.3688 -10.90866 13.01969 
1 1 1   15   15  -29 o   22.354   8.5311  140.292  153.161   0.0000   0.0000  140.292  153.161  ?   ?    22.354   8.5311      ?      ? 
1 1 1   15   16  -29 o   44.579   5.2638  599.843  126.995  822.772  225.637  496.483  153.640   50.188   7.7844   38.969   7.0876 11.21923 10.52761 
1 1 1   15   17  -29 o   25.703   6.9436  210.018  143.991  149.061  237.511  245.441  181.057   24.581   10.196   26.825   9.4286 -2.243805 13.88710 
1 1 1   15   18  -29 o   43.562   5.8586  610.125  141.871  891.429  228.574  433.842  180.943   52.136   7.5911   34.988   8.9257 17.14782 11.71723 
1 1 1   15   19  -29 o   45.950   6.5712  720.653  154.294  684.841  180.959  816.027  295.309   46.135   6.7916   45.766   11.252 0.3685684 13.14238 
1 1 1   15   20  -29 o   42.052   6.6026  650.945  156.415  554.504  230.931  732.692  212.612   38.103   10.264   46.001   8.3085 -7.898090 13.20518 
1 1 1   15   21  -29 o   36.088   6.3120  467.987  132.901  348.218  179.530  613.196  197.680   30.562   9.3224   41.614   8.5121 -11.05125 12.62391 
1 1 1   15   22  -29 o   14.188   4.9877 -305.3238  135.894 -643.9623  296.631 -215.3716  152.881   15.350   7.7010   13.025   6.3407 2.324902 9.975432 
1 1 1   15    0  -30 o   35.950   8.5193  603.549  154.130  645.209  167.809  378.823  389.749   44.921   6.9672   26.978   15.549 -0.000000 0.000000 
1 1 1   15    1  -30 o   40.734   5.6518  539.558  130.006  665.218  190.152  429.264  178.148   45.912   7.1712   35.555   8.7377 10.35658 11.30368 
1 1 1   15    2  -30 o   20.107   6.1926   18.584  134.685  -2.6529  200.831   35.943  181.568   20.034   8.8479   20.179   8.6664 -0.1451931 12.38516 
1 1 1   15    3  -30 o   26.482   6.5034  203.025  107.684  174.620  123.276  294.489  221.211   23.486   7.7905   29.477   10.416 -5.990549 13.00689 
1 1 1   15    4  -30 o   13.587   4.7778 -414.6463  140.144 -505.8881  232.763 -362.7616  175.524   14.351   7.1408   12.824   6.3497 1.527284 9.555643 
1 1 1   15    5  -30 o   41.290   6.8910  513.919  144.044  807.751  296.019  422.760  164.881   47.075   11.073   35.506   8.2052 11.56871 13.78203 
1 1 1   15    6  -30 f   20.437   6.1232   54.976  125.044  112.493  149.382 -79.6743  228.562   21.314   8.3468   19.560   8.9612 1.753942 12.24636 
1 1 1   15    7  -30 o   27.609   5.9624  292.717  114.736  367.542  125.114 -102.9782  287.717   33.796   6.6469   21.421   9.9005 12.37433 11.92479 
1 1 1   15    8  -30 f   16.967   5.2991 -62.4672  113.932   78.976  143.803 -300.9466  186.725   19.825   8.0457   14.110   6.8986 5.715305 10.59825 
1 1 1   15    9  -30 o   50.576   4.6402  770.530  135.540  770.530  135.540   0.0000   0.0000   50.576   4.6402  ?   ?       ?      ? 
1 1 1   15   10  -30 o   23.389   6.2770  146.581  113.091  107.685  140.949  216.874  189.480   20.743   8.1121   26.035   9.5811 -5.291916 12.55399 
1 1 1   15   11  -30 o   43.410   5.5084  602.715  117.599  657.048  233.143  584.174  136.194   43.149   9.6027   43.670   5.3999 -0.5207558 11.01689 
1 1 1   15   12  -30 o   13.556   6.5517 -400.8180  114.309 -624.8896  168.264 -208.7843  155.771  ?   ?    13.556   6.5517      ?      ? 
1 1 1   15   13  -30 o   25.440   6.7402  204.209  128.924  191.924  229.339  209.885  155.887   25.670   10.250   25.210   8.7551 0.4591560 13.48033 
1 1 1   15   14  -30 o   55.346   3.5531  930.789  113.143  985.920  169.083  886.088  152.253   56.741   5.1596   53.950   4.8864 2.790546 7.106246 
1 1 1   15   15  -30 o   30.305   6.7524  296.690  124.246  455.787  226.889  228.546  148.490   34.731   10.455   25.878   8.5486 8.852427 13.50485 
1 1 1   15   16  -30 o   34.984   6.9510  433.695  148.723  622.649  232.034  301.940  193.757   41.120   9.8911   28.849   9.7689 12.27121 13.90199 
1 1 1   15   17  -30 o   15.086   5.1486 -229.5816  133.675 -152.9078  198.288 -293.4573  180.985   16.494   7.8117   13.678   6.7090 2.816679 10.29727 
1 1 1   15   18  -30 o   18.650   6.0862 -64.6104  152.038 -39.2323  199.640 -99.6530  234.593   18.506   8.4389   18.794   8.7723 -0.2884712 12.17239 
1 1 1   15   19  -30 o   17.785   5.9808 -179.8404  168.799 -76.4350  241.485 -278.6373  236.042   19.289   8.9687   16.281   7.9148 3.008335 11.96168 
1 1 1   15   20  -30 o   26.428   7.4478  246.039  148.994  200.759  380.290  254.250  161.941   26.553   11.921   26.303   8.9308 0.2497730 14.89559 
1 1 1   15    0  -31 o   17.980   7.8630   84.063  177.723  207.576  214.525 -186.1864  317.326   20.864   11.734   15.096   10.470 -0.000000 0.000000 
1 1 1   15    1  -31 o   20.639   6.2764   54.469  127.918   84.020  150.466 -22.5658  242.935   20.209   8.2193   21.069   9.4877 -0.8602562 12.55280 
1 1 1   15    2  -31 o   18.730   5.9944 -64.6421  141.225   33.727  204.771 -153.8748  195.029   20.852   9.0793   16.608   7.8294 4.244852 11.98887 
1 1 1   15    3  -31 o   20.304   6.0288   59.797  122.581  124.122  152.083 -59.4822  207.096   21.718   8.4448   18.889   8.6065 2.828947 12.05763 
1 1 1   15    4  -31 o   41.279   9.5334  601.251  222.693  601.251  222.693   0.0000   0.0000   41.279   9.5334  ?   ?       ?      ? 
1 1 1   15    5  -31 o   31.047   8.9801  336.545  170.172   0.0000   0.0000  336.545  170.172  ?   ?    31.047   8.9801      ?      ? 
1 1 1   15    6  -31 o   29.178   6.8457  297.808  150.003  436.114  194.684   95.735  235.321   35.033   9.4185   23.323   9.9371 11.71071 13.69135 
1 1 1   15    7  -31 o   26.691   6.7196  203.079  116.652  155.028  134.633  347.788  233.641   22.494   8.1067   30.888   10.719 -8.393806 13.43916 
1 1 1   15    8  -31 o   14.138   4.9706 -474.8945  158.989 -384.2970  217.999 -577.8374  232.378   14.661   7.2252   13.614   6.8281 1.047228 9.941154 
1 1 1   15    9  -31 o   24.799   6.0118  205.991  105.153  240.325  131.696  145.607  174.654   26.626   7.9539   22.971   9.0166 3.655025 12.02353 
1 1 1   15   10  -31 o   53.167   5.9992  915.954  168.180  841.086  202.499  1082.41  301.947   51.293   6.8357   55.041   9.8608 -3.748459 11.99839 
1 1 1   15   11  -31 o   52.153   4.6246  872.101  137.387  932.387  184.941  797.863  205.228   54.654   5.8590   49.652   7.1567 5.002388 9.249152 
1 1 1   15   12  -31 o   27.720   5.7367  260.598  102.298  365.828  147.673  163.509  141.846   32.635   7.9160   22.805   8.3052 9.830683 11.47341 
1 1 1   15   13  -31 o   19.659   6.2570 -24.2316  142.559   72.073  239.398 -77.1460  177.454   22.435   9.7913   16.882   7.7930 5.552795 12.51407 
1 1 1   15   14  -31 o   15.266   5.2311 -191.1035  123.380 -194.1848  235.371 -189.9361  144.881   17.486   8.3461   13.047   6.3087 4.439568 10.46221 
1 1 1   15   15  -31 o   73.979   4.7303  1743.06  191.367  1876.10  330.943  1676.23  234.558   74.802   7.6604   73.156   5.5515 1.645767 9.460533 
1 1 1   15   16  -31 o   28.224   6.7894  298.048  135.685  367.710  188.016  222.338  196.009   31.122   9.5486   25.326   9.6544 5.796398 13.57881 
1 1 1   15   17  -31 o   48.311   6.4223  830.159  150.154  812.852  173.071  882.837  301.943   50.402   5.9456   46.221   11.386 4.180950 12.84453 
1 1 1   15    0  -32 o   71.776   5.5902  1566.87  228.503  1566.87  228.503   0.0000   0.0000   71.776   5.5902   71.776   5.5902 -0.000000 0.000000 
1 1 1   15    1  -32 o   46.607   4.7941  694.067  128.814  645.648  180.944  743.822  183.424   44.817   6.9906   48.397   6.5622 -3.579918 9.588102 
1 1 1   15    2  -32 o   22.936   6.8215  109.073  133.732  100.920  151.757  137.408  282.916   20.662   8.3071   25.211   10.822 -4.548574 13.64300 
1 1 1   15    3  -32 o   18.627   5.9181 -24.4264  132.725 -49.2311  182.508   3.4180  193.367   17.802   8.0989   19.451   8.6315 -1.648632 11.83615 
1 1 1   15    4  -32 o   21.476   6.5802   54.287  145.388  106.998  240.822   24.058  182.374   23.464   10.026   19.489   8.5246 3.975172 13.16030 
1 1 1   15    5  -32 o   45.200   5.9402  703.925  141.080  670.030  244.829  720.775  172.622   42.626   10.100   47.774   6.2563 -5.147972 11.88050 
1 1 1   15    6  -32 o   16.177   5.4403 -160.1611  135.247 -118.4161  168.848 -234.8933  225.916   15.699   7.3644   16.655   8.0095 -0.9562025 10.88050 
1 1 1   15    7  -32 o   17.582   6.1930 -460.6207  191.198 -552.0295  223.759 -213.3115  368.051   13.329   6.6871   21.834   10.426 -8.505626 12.38601 
1 1 1   15    8  -32 o   36.754   7.1784  537.253  172.537  719.204  227.876  292.807  264.126   44.988   9.0833   28.521   11.118 16.46701 14.35686 
1 1 1   15    9  -32 o   36.147   6.2944  458.284  120.747  445.569  141.724  491.952  230.626   36.635   6.9525   35.658   10.495 0.9775009 12.58879 
1 1 1   15   10  -32 o   15.756   5.3734 -224.9407  141.636 -272.9530  183.949 -155.0265  221.975   14.051   6.8649   17.462   8.2685 -3.411202 10.74686 
1 1 1   15   11  -32 o   22.840   5.8330  172.016   99.948  203.335  126.619  120.241  162.798   24.334   7.8866   21.346   8.5964 2.987326 11.66603 
1 1 1   15   12  -32 o   37.055   5.9446  488.305  124.232  466.998  171.973  511.559  179.659   36.198   8.3899   37.912   8.4238 -1.714237 11.88910 
1 1 1   15   13  -32 o   25.680   6.2519  237.841  114.855  179.026  171.118  286.063  154.944   23.404   8.9969   27.956   8.6834 -4.551657 12.50386 
1 1 1   15   14  -32 o   35.589   5.8936  475.542  123.949  329.149  190.382  583.249  163.300   29.116   9.6826   42.062   6.7222 -12.94632 11.78727 
1 1 1   15    0  -33 o   14.476   7.0043 -141.0586  196.942   42.195  248.302 -451.8775  323.376   16.411   10.711   12.541   9.0285 -0.000000 0.000000 
1 1 1   15    1  -33 f   28.436   6.4162  312.702  145.504 -44.1317  270.500  457.990  172.603   20.941   9.6506   35.932   8.4578 -14.99104 12.83236 
1 1 1   15    2  -33 o   59.000   4.9261  1140.59  167.335  1090.01  241.822  1187.06  231.791   57.411   7.2931   60.589   6.6239 -3.177883 9.852221 
1 1 1   15    3  -33 o   24.405   7.2725  162.731  149.840   91.202  370.150  176.750  163.867   25.377   11.541   23.432   8.8525 1.945091 14.54497 
1 1 1   15    4  -33 o   24.793   7.6147  132.765  173.358  254.628  368.692   98.177  196.425   27.998   12.187   21.588   9.1334 6.409325 15.22934 
1 1 1   15    5  -33 o   12.908   6.3771 -466.4138  110.482 -566.5417  143.266 -319.4985  173.540  ?   ?    12.908   6.3771      ?      ? 
1 1 1   15    6  -33 o   30.224   7.5848  362.253  166.559  321.276  232.754  405.260  238.451   28.789   10.615   31.659   10.837 -2.869604 15.16957 
1 1 1   15    7  -33 o   50.562   4.8188  831.819  127.834  823.010  152.615  852.533  234.023   51.428   5.1382   49.696   8.1536 1.731407 9.637542 
1 1 1   15    8  -33 o   35.609   7.8377  537.701  183.817  631.872  248.825  424.567  272.730   39.680   10.640   31.538   11.512 8.141487 15.67536 
1 1 1   15    9  -33 o   43.330   7.0962  751.110  168.603  655.334  304.829  793.325  202.377   38.023   12.228   48.638   7.2045 -10.61479 14.19239 
1 1 1   16    0    0 o   11.773   8.3871 -361.4330  250.524   0.0000   0.0000 -361.4330  250.524   11.773   8.3871   11.773   8.3871 -0.000000 0.000000 
1 1 1   16    1    0 o  132.683   2.7350  5096.32  207.928  5142.73  312.197  5059.33  278.746  133.204   4.0667  132.163   3.6582 -0.000000 0.000000 
1 1 1   16    2    0 o  366.423   2.2150 39035.01  438.744 39474.39  535.267 38135.37  765.921  369.635   2.5076  363.211   3.6521 -0.000000 0.000000 
1 1 1   16    3    0 o  110.375   3.0327  3538.97  192.179  3862.60  274.302  3226.97  269.330  115.378   4.1284  105.372   4.4436 -0.000000 0.000000 
1 1 1   16    4    0 o   70.351   4.7555  1450.52  191.193  1450.52  191.193   0.0000   0.0000   70.351   4.7555   70.351   4.7555 -0.000000 0.000000 
1 1 1   16    5    0 o   78.582   4.3375  1797.16  192.808  1581.06  257.072  2075.03  291.507   73.139   6.1877   84.026   6.0801 -0.000000 0.000000 
1 1 1   16    6    0 o   36.488   9.0602  505.434  174.896  589.163  255.025  431.087  240.311   40.263   12.517   32.713   13.102 -0.000000 0.000000 
1 1 1   16    7    0 o  138.017   2.5900  5508.90  206.289  5508.90  206.289   0.0000   0.0000  138.017   2.5900  138.017   2.5900 -0.000000 0.000000 
1 1 1   16    8    0 o  138.832   2.3036  5620.33  172.737  5459.98  300.806  5699.23  210.994  137.282   3.8005  140.382   2.6044 -0.000000 0.000000 
1 1 1   16    9    0 o   86.404   3.1643  2212.31  150.389  2314.86  190.328  2041.87  245.369   89.262   3.7065   83.545   5.1295 -0.000000 0.000000 
1 1 1   16   10    0 o   9.8270   7.2320 -841.6414  288.362   0.0000   0.0000 -841.6414  288.362   9.8270   7.2320   9.8270   7.2320 -0.000000 0.000000 
1 1 1   16   11    0 o   7.4005   5.4668 -583.2934  178.870 -583.2934  178.870   0.0000   0.0000   7.4005   5.4668   7.4005   5.4668 -0.000000 0.000000 
1 1 1   16   12    0 o   59.900   5.5687  1126.02  173.169  876.722  255.712  1337.20  235.348   52.693   9.2564   67.108   6.1936 -0.000000 0.000000 
1 1 1   16   13    0 o   17.605   7.9851   10.519  184.454   61.858  237.797 -67.0300  292.259   18.085   11.258   17.125   11.327 -0.000000 0.000000 
1 1 1   16   14    0 o  ?   ?  -846.6283  144.798 -745.5957  166.870 -1154.5570  291.322  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   16   15    0 o  112.408   3.7908  3665.94  245.468  3665.94  245.468   0.0000   0.0000  112.408   3.7908  112.408   3.7908 -0.000000 0.000000 
1 1 1   16   16    0 o   76.082   4.3646  1690.91  190.338  1690.91  190.338   0.0000   0.0000   76.082   4.3646   76.082   4.3646 -0.000000 0.000000 
1 1 1   16   17    0 o  126.605   2.7329  4638.43  199.622   0.0000   0.0000  4638.43  199.622  126.605   2.7329  126.605   2.7329 -0.000000 0.000000 
1 1 1   16   18    0 o   15.238   9.9890 -31.5963  219.482   0.0000   0.0000 -31.5963  219.482   15.238   9.9890   15.238   9.9890 -0.000000 0.000000 
1 1 1   16   19    0 o   7.3327   5.4189 -585.3077  177.454   0.0000   0.0000 -585.3077  177.454   7.3327   5.4189   7.3327   5.4189 -0.000000 0.000000 
1 1 1   16   20    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   21    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   22    0 o   46.622   12.083  748.462  281.166  748.462  281.166   0.0000   0.0000   46.622   12.083   46.622   12.083 -0.000000 0.000000 
1 1 1   16   23    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   24    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   25    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   26    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   27    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   28    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   29    0 o   91.705   3.6252  2440.98  188.416  2996.62  280.625  1984.89  254.244  101.280   4.8224   82.129   5.4141 -0.000000 0.000000 
1 1 1   16   30    0 f   74.838   7.4039  1685.19  312.828  1685.19  312.828   0.0000   0.0000   74.838   7.4039   74.838   7.4039 -0.000000 0.000000 
1 1 1   16   31    0 o   13.298   9.4177 -364.6390  299.454 -364.6390  299.454   0.0000   0.0000   13.298   9.4177   13.298   9.4177 -0.000000 0.000000 
1 1 1   16   32    0 o   32.868   6.4369  348.377  205.115 -623.5302  339.111  909.105  257.576   12.464   9.0121   53.271   9.1933 -0.000000 0.000000 
1 1 1   16   33    0 o   84.145   4.1868  2052.88  198.605  2496.47  310.394  1745.37  258.432   91.765   5.9130   76.526   5.9292 -0.000000 0.000000 
1 1 1   16   34    0 o   45.536   8.2147  709.264  191.333  1151.75  306.345  426.261  244.994   59.845   9.6055   31.228   13.329 -0.000000 0.000000 
1 1 1   16   35    0 o   16.334   7.7302 -108.1874  115.188  253.153  338.666 -155.4572  122.491   24.235   14.257   8.4322   5.9812 -0.000000 0.000000 
1 1 1   16   36    0 o   11.392   5.9129 -182.9038  111.839 -280.1051  332.178 -170.4769  118.773   14.780   10.353   8.0043   5.7150 -0.000000 0.000000 
1 1 1   16   37    0 o   19.250   6.6590  177.395   99.639 -221.5662  315.574  221.572  105.011   14.818   10.315   23.682   8.4245 -0.000000 0.000000 
1 1 1   16   38    0 o   12.792   5.6071 -146.1133   91.447  176.126  153.538 -323.2626  113.841   19.406   10.252   6.1772   4.5458 -0.000000 0.000000 
1 1 1   16   39    0 o   21.812   4.7108  190.575   76.925 -10.7169  116.299  347.140  102.568   10.976   7.2221   32.649   6.0505 -0.000000 0.000000 
1 1 1   16   40    0 o   27.215   8.1984  277.070  112.350   0.0000   0.0000  277.070  112.350   27.215   8.1984   27.215   8.1984 -0.000000 0.000000 
1 1 1   16   41    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   42    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0   -1 o   84.769   2.8790  2099.65  138.826  2027.00  209.413  2156.62  185.427   83.395   4.3754   86.143   3.7432 -0.000000 0.000000 
1 1 1   16    1   -1 o  144.307   2.6143  6054.77  216.245  5719.52  320.916  6333.59  292.664  140.613   3.9517  148.001   3.4239 -7.388016 5.228662 
1 1 1   16    2   -1 f  144.764   2.3266  6113.72  178.550  5920.39  322.411  6199.25  214.435  143.062   3.9021  146.465   2.5350 -3.402832 4.653237 
1 1 1   16    3   -1 f  117.128   2.7195  3916.21  170.969  3830.32  205.576  4108.87  307.893  115.107   3.0923  119.148   4.4743 -4.041046 5.438921 
1 1 1   16    4   -1 o  182.839   2.0755  9638.54  202.540  9598.62  243.412  9728.39  365.169  182.260   2.3124  183.419   3.4472 -1.158234 4.150947 
1 1 1   16    5   -1 o   98.244   3.1700  2815.25  160.974  2842.37  189.801  2745.76  303.836   99.147   3.3146   97.342   5.4045 1.805038 6.339979 
1 1 1   16    6   -1 o   89.602   3.3989  2447.37  142.925  2115.45  300.907  2544.07  162.415   85.395   6.1012   93.810   2.9977 -8.414314 6.797849 
1 1 1   16    7   -1 o   78.396   3.3954  1735.69  148.094  1941.72  250.764  1625.35  183.515   81.854   5.3044   74.938   4.2402 6.916496 6.790887 
1 1 1   16    8   -1 o  127.795   1.9303  4726.92  142.106  4626.78  207.321  4815.67  195.165  126.512   2.8374  129.079   2.6180 -2.566803 3.860668 
1 1 1   16    9   -1 o  103.113   3.3815  3076.63  200.801  3037.31  273.048  3122.95  296.331  102.407   4.6166  103.819   4.9421 -1.411560 6.762985 
1 1 1   16   10   -1 f   73.930   2.7104  1605.45  107.992  1514.37  187.870  1650.40  131.974   72.311   4.4985   75.549   3.0246 -3.238220 5.420773 
1 1 1   16   11   -1 o   52.104   5.2237  829.235  129.679  856.283  150.084  749.553  257.599   54.360   4.7804   49.848   9.2895 4.512333 10.44738 
1 1 1   16   12   -1 o   65.633   4.6957  1243.80  177.127  1340.46  267.043  1167.88  236.686   67.882   6.8115   63.385   6.4655 4.497372 9.391441 
1 1 1   16   13   -1 f   54.135   4.1662  852.093  129.045  844.105  195.821  858.225  171.569   53.888   6.2918   54.381   5.4627 -0.4926682 8.332365 
1 1 1   16   14   -1 o   37.988   6.7851  439.662  147.877  443.647  195.369  434.315  226.277   38.176   9.0065   37.799   10.151 0.3771286 13.57026 
1 1 1   16   15   -1 o   33.664   7.3476  322.569  140.493  326.969  294.272  321.270  159.893   34.784   12.032   32.544   8.4369 2.240227 14.69511 
1 1 1   16   16   -1 o   40.550   6.2324  478.272  145.960   0.0000   0.0000  478.272  145.960  ?   ?    40.550   6.2324      ?      ? 
1 1 1   16   17   -1 f   91.133   5.2488  2410.94  276.260   0.0000   0.0000  2410.94  276.260  ?   ?    91.133   5.2488      ?      ? 
1 1 1   16   18   -1 o   57.451   6.4562  1039.78  203.906  2135.47  306.036  165.047  273.441   85.675   6.1849   29.226   11.335 56.44957 12.91240 
1 1 1   16   19   -1 o  136.914   2.7286  5421.14  215.764  5421.14  215.764   0.0000   0.0000  136.914   2.7286  ?   ?       ?      ? 
1 1 1   16   20   -1 o   17.940   8.2602 -148.7833  197.541   0.0000   0.0000 -148.7833  197.541  ?   ?    17.940   8.2602      ?      ? 
1 1 1   16   21   -1 o  119.931   4.2695  4169.25  295.727   0.0000   0.0000  4169.25  295.727  ?   ?   119.931   4.2695      ?      ? 
1 1 1   16   22   -1 o   31.397   7.6487  257.037  179.301  391.479  233.484   63.793  279.926   36.037   10.546   26.756   11.081 9.281038 15.29742 
1 1 1   16   23   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   24   -1 o  114.712   4.3991  3817.99  291.443   0.0000   0.0000  3817.99  291.443  ?   ?   114.712   4.3991      ?      ? 
1 1 1   16   25   -1 o   87.829   5.4699  2245.37  277.460   0.0000   0.0000  2245.37  277.460  ?   ?    87.829   5.4699      ?      ? 
1 1 1   16   26   -1 o  147.569   3.5765  6312.09  304.819   0.0000   0.0000  6312.09  304.819  ?   ?   147.569   3.5765      ?      ? 
1 1 1   16   27   -1 o   64.217   7.1172  1210.58  263.966  1210.58  263.966   0.0000   0.0000   64.217   7.1172  ?   ?       ?      ? 
1 1 1   16   28   -1 o   51.191   7.0447  745.576  200.822  491.305  254.200  1167.78  327.559   39.731   10.796   62.651   9.0527 -22.91938 14.08944 
1 1 1   16   29   -1 o   23.876   7.4819 -112.4657  213.458   55.856  283.611 -332.4031  324.192   26.373   11.056   21.379   10.083 4.993948 14.96375 
1 1 1   16   30   -1 o  131.489   3.0459  4983.01  229.956  4519.85  305.833  5585.46  348.802  124.552   4.2515  138.426   4.3629 -13.87357 6.091846 
1 1 1   16   31   -1 f   66.257   5.5432  1290.48  212.116  1290.48  212.116   0.0000   0.0000   66.257   5.5432  ?   ?       ?      ? 
1 1 1   16   32   -1 o   20.863   6.9420 -223.3063  183.822 -242.8147  213.795 -167.9959  359.990   16.964   8.0565   24.762   11.307 -7.798002 13.88396 
1 1 1   16   33   -1 o   32.600   8.0732  213.865  212.371 -74.5608  280.801  599.326  324.618   22.940   10.276   42.261   12.455 -19.32104 16.14634 
1 1 1   16   34   -1 o   35.067   8.4817  397.535  211.550  493.101  284.980  280.232  315.730   38.273   11.758   31.861   12.227 6.411655 16.96346 
1 1 1   16   35   -1 o   19.433   5.2208   61.861   96.574 -222.0520  182.921  171.581  113.714   15.277   7.3099   23.588   7.4561 -8.311031 10.44161 
1 1 1   16   36   -1 o   23.560   4.9796  161.425   78.615  270.448  116.572   70.477  106.471   29.032   7.0277   18.088   7.0568 10.94418 9.959282 
1 1 1   16   37   -1 o   18.139   4.8602   61.127   75.829  144.945  107.952 -20.5119  106.540   21.756   7.2921   14.522   6.4274 7.234099 9.720430 
1 1 1   16   38   -1 o   19.002   4.9280   92.927   67.264  126.095  118.071   76.990   81.844   20.911   7.5831   17.093   6.2959 3.817919 9.856063 
1 1 1   16   39   -1 o   19.224   5.2756   90.970   83.805   95.615  116.617   86.009  120.516   19.357   7.4305   19.091   7.4911 0.2656994 10.55129 
1 1 1   16   40   -1 o   33.292   4.4929  383.262   84.027  586.359  116.448  162.638  121.368   44.025   4.5798   22.558   7.7312 21.46675 8.985839 
1 1 1   16   41   -1 o   10.530   3.7233 -302.9488   90.585 -226.0689  109.551 -469.1476  161.073   10.196   5.0428   10.864   5.4792 -0.6677313 7.446542 
1 1 1   16   42   -1 o   26.999   7.0585  249.215  111.300  249.215  111.300   0.0000   0.0000   26.999   7.0585  ?   ?       ?      ? 
1 1 1   16    0   -2 o  339.263   2.1164 33277.51  393.143 33311.00  484.500 33212.95  672.687  339.552   2.4709  338.973   3.4369 -0.000000 0.000000 
1 1 1   16    1   -2 o  287.734   2.2097 23934.52  367.185 23643.59  518.875 24226.36  519.683  285.981   3.1415  289.487   3.1083 -3.506378 4.419363 
1 1 1   16    2   -2 o  254.956   1.7987 18666.89  232.548 18540.07  270.016 19031.12  457.591  253.334   1.8455  256.578   3.0880 -3.243362 3.597412 
1 1 1   16    3   -2 o   53.551   4.0925  803.551  124.009  974.310  201.677  699.739  157.250   57.964   6.0243   49.138   5.5409 8.826080 8.185015 
1 1 1   16    4   -2 o  357.022   1.7739 36836.29  365.757 37004.31  516.597 36667.41  517.922  357.840   2.4996  356.205   2.5176 1.634552 3.547716 
1 1 1   16    5   -2 o   24.620   7.1738 -60.4341  182.317  220.618  268.521 -300.8105  248.331   30.861   11.397   18.379   8.7150 12.48236 14.34757 
1 1 1   16    6   -2 o  143.664   1.6848  5903.85  135.055  6194.48  224.234  5738.41  169.183  146.398   2.6521  140.929   2.0786 5.468597 3.369557 
1 1 1   16    7   -2 o  242.018   1.8852 16923.33  249.852 16949.26  427.892 16909.91  307.770  242.123   3.0599  241.912   2.2028 0.2110596 3.770375 
1 1 1   16    8   -2 o   66.575   4.0215  1229.03  150.270  1531.32  251.491  1061.18  187.402   72.646   5.9941   60.504   5.3630 12.14256 8.043056 
1 1 1   16    9   -2 o  158.960   1.9632  7327.90  172.903  7388.17  216.398  7221.48  287.540  159.891   2.3434  158.028   3.1505 1.862808 3.926446 
1 1 1   16   10   -2 o  110.637   2.5491  3552.99  160.183  3607.37  209.280  3476.06  248.903  111.682   3.2446  109.591   3.9325 2.090919 5.098223 
1 1 1   16   11   -2 o   92.675   3.4916  2484.80  186.883  2484.80  186.883   0.0000   0.0000   92.675   3.4916  ?   ?       ?      ? 
1 1 1   16   12   -2 o  159.360   1.9737  7337.71  173.368  7359.60  292.926  7325.90  215.084  159.514   3.1796  159.207   2.3392 0.3064270 3.947363 
1 1 1   16   13   -2 o  108.077   2.6621  3371.43  151.971  3357.30  181.189  3404.96  279.086  107.748   2.9116  108.407   4.4576 -0.6587372 5.324231 
1 1 1   16   14   -2 o   10.861   5.5097 -653.6068  178.043 -653.6068  178.043   0.0000   0.0000   10.861   5.5097  ?   ?       ?      ? 
1 1 1   16   15   -2 f   67.491   5.1334  1321.65  200.096  1321.65  200.096   0.0000   0.0000   67.491   5.1334  ?   ?       ?      ? 
1 1 1   16   16   -2 o   35.588   7.9713  367.159  184.775  427.703  264.299  309.276  258.424   37.777   11.264   33.400   11.282 4.376450 15.94254 
1 1 1   16   17   -2 o   44.581   7.0869  598.398  175.911  552.627  228.674  664.747  275.322   42.561   9.5391   46.601   10.483 -4.039772 14.17383 
1 1 1   16   18   -2 o   44.946   7.6901  602.175  202.524  873.572  303.421  384.116  271.976   53.622   10.170   36.269   11.538 17.35332 15.38020 
1 1 1   16   19   -2 o   66.565   5.0670  1286.03  194.800   0.0000   0.0000  1286.03  194.800  ?   ?    66.565   5.0670      ?      ? 
1 1 1   16   20   -2 o   47.492   11.443  694.421  310.157  694.421  310.157   0.0000   0.0000   47.492   11.443  ?   ?       ?      ? 
1 1 1   16   21   -2 o   37.077   10.959  413.726  251.015  413.726  251.015   0.0000   0.0000   37.077   10.959  ?   ?       ?      ? 
1 1 1   16   22   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   23   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   24   -2 o   43.684   10.733  588.627  268.853   0.0000   0.0000  588.627  268.853  ?   ?    43.684   10.733      ?      ? 
1 1 1   16   25   -2 o   97.881   3.6026  2807.03  198.907  3594.24  287.008  2079.52  275.913  111.266   4.4663   84.497   5.6539 26.76881 7.205138 
1 1 1   16   26   -2 o  116.792   3.2104  3952.14  215.913  3829.82  292.515  4098.54  320.030  114.832   4.4106  118.752   4.6662 -3.919746 6.420839 
1 1 1   16   27   -2 o   89.328   4.2619  2333.30  219.716  2285.68  314.697  2378.58  306.899   88.414   6.1629   90.242   5.8885 -1.827576 8.523836 
1 1 1   16   28   -2 o   94.750   4.3784  2583.76  231.456  1766.80  306.988  3659.87  352.331   77.541   6.8549  111.959   5.4489 -34.41727 8.756743 
1 1 1   16   29   -2 o   48.671   7.3971  736.493  206.357  907.145  290.953  563.760  292.721   55.067   9.1484   42.275   11.626 12.79256 14.79411 
1 1 1   16   30   -2 o  114.192   3.7078  4006.95  231.788  4689.85  302.183  3030.87  361.270  126.899   4.1231  101.486   6.1637 25.41284 7.415625 
1 1 1   16   31   -2 o   12.858   4.5955 -659.6326  153.043 -907.9815  269.996 -542.0619  185.770   13.677   6.9212   12.040   6.0475 1.637238 9.191038 
1 1 1   16   32   -2 o   81.249   4.1776  1929.82  196.036  1929.82  196.036   0.0000   0.0000   81.249   4.1776  ?   ?       ?      ? 
1 1 1   16   33   -2 f   57.196   6.3901  1114.11  163.418  1192.35  186.838  859.388  337.117   63.565   5.0894   50.828   11.723 12.73669 12.78025 
1 1 1   16   34   -2 o   42.988   6.1058  533.480  145.274  827.005  247.793  379.753  179.326   51.723   8.2951   34.253   8.9617 17.46977 12.21151 
1 1 1   16   35   -2 o   46.843   7.7876  762.698  199.003  790.373  242.970  706.296  346.859   49.423   8.8365   44.263   12.826 5.160076 15.57520 
1 1 1   16   36   -2 o   42.242   5.9235  397.884  118.775  277.982  130.282  988.130  289.059   29.252   7.6315   55.232   9.0617 -25.98068 11.84708 
1 1 1   16   37   -2 f   21.906   6.3440   46.846  100.352   6.7285  110.156  242.605  243.333   15.658   6.7382   28.154   10.751 -12.49515 12.68807 
1 1 1   16   38   -2 o   19.292   4.9160   62.550   99.144  205.285  106.536 -860.2134  270.879   25.078   7.0576   13.506   6.8454 11.57220 9.832091 
1 1 1   16   39   -2 o   25.120   5.0276  192.117   86.907   52.838  120.075  345.346  125.945   17.740   7.2932   32.499   6.9221 -14.75910 10.05510 
1 1 1   16   40   -2 o   11.632   5.4946 -94.8618   96.941 -94.8618   96.941   0.0000   0.0000   11.632   5.4946  ?   ?       ?      ? 
1 1 1   16   41   -2 o   30.721   3.9349  403.702  100.599  698.408  118.151 -373.0521  191.816   48.079   4.2549   13.363   6.6205 34.71657 7.869879 
1 1 1   16   42   -2 o   19.151   5.5640   79.045  101.610  139.768  114.225 -151.2269  222.435   20.920   7.4746   17.381   8.2438 3.539049 11.12791 
1 1 1   16    0   -3 o   38.132   9.4992  549.437  191.117  648.958  284.817  467.923  257.765   42.116   13.316   34.148   13.550 -0.000000 0.000000 
1 1 1   16    1   -3 o  117.429   1.6121  3981.64  108.233  4003.94  165.413  3964.95  143.123  117.711   2.4331  117.146   2.1154 0.5647278 3.224153 
1 1 1   16    2   -3 o  108.590   2.9611  3409.22  169.308  3419.13  312.084  3405.09  201.544  108.656   4.9732  108.524   3.2156 0.1323471 5.922190 
1 1 1   16    3   -3 o  147.650   1.6172  6314.43  135.900  6390.95  178.260  6208.24  210.000  148.729   2.0753  146.571   2.4808 2.157440 3.234336 
1 1 1   16    4   -3 o   92.599   2.3282  2472.66  121.737  2510.78  194.389  2448.05  156.150   93.172   3.6125   92.025   2.9380 1.146683 4.656343 
1 1 1   16    5   -3 o  112.438   2.8180  3606.70  164.462  3774.69  313.765  3543.06  193.116  114.171   4.7584  110.705   3.0204 3.466263 5.636088 
1 1 1   16    6   -3 o  106.799   2.2477  3305.99  138.287  3455.06  191.782  3144.55  199.586  109.319   3.0376  104.279   3.3140 5.039513 4.495463 
1 1 1   16    7   -3 o   13.519   6.7936 -707.6739  141.938 -706.8640  177.826 -709.0956  235.615  ?   ?    13.519   6.7936      ?      ? 
1 1 1   16    8   -3 o  151.007   1.7141  6597.31  149.329  6311.33  212.753  6875.00  209.647  147.774   2.4928  154.239   2.3535 -6.464844 3.428261 
1 1 1   16    9   -3 o   92.798   3.1318  2473.60  143.345  2455.30  164.142  2532.40  294.230   92.147   3.0843   93.448   5.4517 -1.301247 6.263679 
1 1 1   16   10   -3 o   13.542   6.8337 -965.9758  186.690 -823.9855  252.290 -1137.8250  277.553   13.542   6.8337  ?   ?       ?      ? 
1 1 1   16   11   -3 o  165.678   2.4399  7980.96  230.145  7693.23  353.230  8193.20  303.377  163.042   3.7512  168.314   3.1209 -5.271286 4.879708 
1 1 1   16   12   -3 o  287.337   1.8334 23854.79  304.250   0.0000   0.0000 23854.79  304.250  ?   ?   287.337   1.8334      ?      ? 
1 1 1   16   13   -3 o   51.137   5.2107  777.655  177.108 -222.8536  238.210  2014.32  264.836   18.969   8.8490   83.305   5.5045 -64.33594 10.42139 
1 1 1   16   14   -3 o   15.504   5.4533 -626.3946  176.454 -763.5651  229.066 -426.2125  276.722   12.797   6.4638   18.212   8.7848 -5.414980 10.90664 
1 1 1   16   15   -3 o   46.277   5.1402  405.719  203.460  1727.73  301.326 -702.0606  275.833   77.027   6.7734   15.527   7.7335 61.49997 10.28043 
1 1 1   16   16   -3 o   27.063   7.0105  164.335  142.704  235.214  220.706  113.415  187.069   29.835   10.414   24.291   9.3879 5.544014 14.02103 
1 1 1   16   17   -3 o   63.047   5.4884  1154.51  199.844   0.0000   0.0000  1154.51  199.844  ?   ?    63.047   5.4884      ?      ? 
1 1 1   16   18   -3 o   49.864   6.6758  752.942  184.433  748.431  248.738  758.450  274.869   49.788   8.9807   49.940   9.8798 -0.1520729 13.35151 
1 1 1   16   19   -3 o   53.285   5.2096  810.816  150.036  779.613  180.939  879.492  268.430   51.771   6.0514   54.798   8.4817 -3.026184 10.41916 
1 1 1   16   20   -3 f  146.477   2.6457  6204.59  223.822  6204.59  223.822   0.0000   0.0000  146.477   2.6457  ?   ?       ?      ? 
1 1 1   16   21   -3 o  156.292   2.5423  7063.46  229.484  7063.46  229.484   0.0000   0.0000  156.292   2.5423  ?   ?       ?      ? 
1 1 1   16   22   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   23   -3 o   41.015   11.064  516.563  268.110   0.0000   0.0000  516.563  268.110  ?   ?    41.015   11.064      ?      ? 
1 1 1   16   24   -3 o   46.757   6.5086  719.220  181.997  1222.81  251.532  165.903  263.660   64.706   6.7308   28.808   11.142 35.89722 13.01729 
1 1 1   16   25   -3 o   73.364   4.7957  1564.04  203.197   0.0000   0.0000  1564.04  203.197  ?   ?    73.364   4.7957      ?      ? 
1 1 1   16   26   -3 o   67.002   5.5093  1308.26  213.195   0.0000   0.0000  1308.26  213.195  ?   ?    67.002   5.5093      ?      ? 
1 1 1   16   27   -3 o  171.371   3.7286  8520.33  369.031   0.0000   0.0000  8520.33  369.031  ?   ?   171.371   3.7286      ?      ? 
1 1 1   16   28   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   29   -3 o   56.651   7.2510  939.286  227.147  659.330  291.789  1369.88  361.876   45.689   11.155   67.614   9.2670 -21.92509 14.50209 
1 1 1   16   30   -3 o  162.399   2.7592  7636.05  253.016  7492.14  323.910  7861.29  405.237  160.571   3.4928  164.226   4.2725 -3.654556 5.518492 
1 1 1   16   31   -3 o   60.201   7.5961  1162.21  242.835  1224.03  302.099  1049.34  408.217   63.816   8.1966   56.586   12.791 7.230110 15.19228 
1 1 1   16   32   -3 o   60.488   6.5348  1111.19  224.781  1062.66  290.974  1182.99  353.985   59.130   8.5205   61.845   9.9104 -2.715885 13.06961 
1 1 1   16   33   -3 o   30.281   8.4464  191.259  216.442   95.257  280.128  333.471  340.946   26.456   11.031   34.107   12.794 -7.651627 16.89278 
1 1 1   16   34   -3 o   83.936   4.5745  2069.35  218.518  1811.98  281.238  2461.42  347.120   77.626   6.2731   90.247   6.6598 -12.62048 9.149050 
1 1 1   16   35   -3 o   47.460   6.5319  834.559  201.944  1457.93  271.927   67.980  301.549   69.039   6.8198   25.880   11.142 43.15971 13.06384 
1 1 1   16   36   -3 o   57.138   5.1699  639.040  131.639  299.430  145.537  2166.85  308.686   30.180   8.1559   84.097   6.3555 -53.91756 10.33977 
1 1 1   16   37   -3 o   11.175   4.0982 -465.3981  105.353 -390.6503  113.856 -910.4870  277.830   8.7791   4.4484   13.571   6.8843 -4.791850 8.196434 
1 1 1   16   38   -3 o   28.401   6.7235  197.392  106.932  139.486  118.127  460.188  251.652   21.547   7.6116   35.254   11.085 -13.70728 13.44699 
1 1 1   16   39   -3 o   19.674   5.3182   97.683   86.415   47.279  128.574  139.212  116.705   17.942   7.4767   21.406   7.5652 -3.463573 10.63641 
1 1 1   16   40   -3 o   15.913   4.6417   37.167   69.380   56.410   99.326   18.831   96.954   16.759   6.7267   15.067   6.3979 1.692047 9.283416 
1 1 1   16   41   -3 o   26.087   4.5776  236.809   77.477   90.486  120.197  340.819  101.339   18.999   7.4727   33.175   5.2891 -14.17648 9.155116 
1 1 1   16   42   -3 o   25.526   6.5167  205.428  105.979  179.304  119.191  304.052  231.588   22.955   7.6625   28.096   10.543 -5.141211 13.03349 
1 1 1   16    0   -4 o  217.674   1.9363 13704.31  224.368 13671.67  404.973 13718.77  269.514  217.448   3.2263  217.900   2.1421 -0.000000 0.000000 
1 1 1   16    1   -4 o   20.617   6.2002 -12.2129  123.619 -51.4804  152.307   63.596  211.623   17.345   7.6805   23.890   9.7355 -6.544308 12.40041 
1 1 1   16    2   -4 o  117.060   2.9966  3965.78  202.217  3968.72  277.764  3962.46  294.968  117.113   4.1066  117.006   4.3650 0.1079102 5.993117 
1 1 1   16    3   -4 o  110.437   1.9821  3510.24  125.023  3427.74  164.112  3624.34  192.997  108.904   2.6092  111.970   2.9845 -3.065346 3.964211 
1 1 1   16    4   -4 o  107.390   3.1892  3334.52  197.804  3334.52  197.804   0.0000   0.0000  107.390   3.1892  ?   ?       ?      ? 
1 1 1   16    5   -4 o   54.073   3.9063  882.126  116.867  1021.17  153.437  690.006  180.359   59.391   4.4733   48.755   6.4052 10.63604 7.812645 
1 1 1   16    6   -4 o   95.313   3.3546  2627.23  184.660   0.0000   0.0000  2627.23  184.660  ?   ?    95.313   3.3546      ?      ? 
1 1 1   16    7   -4 o   14.349   7.1962 -752.1561  154.248 -755.4959  192.484 -746.1624  257.858  ?   ?    14.349   7.1962      ?      ? 
1 1 1   16    8   -4 o   46.165   4.9146  621.147  130.302  635.381  176.411  604.058  193.294   46.767   6.5313   45.564   7.3454 1.203297 9.829181 
1 1 1   16    9   -4 o   34.690   6.6709  382.060  137.311  246.442  238.552  449.255  167.917   30.790   10.823   38.591   7.8022 -7.801157 13.34179 
1 1 1   16   10   -4 o  163.559   1.7725  7798.91  147.610  7591.70  285.294  7874.66  172.492  162.025   3.0488  165.093   1.8091 -3.067841 3.545099 
1 1 1   16   11   -4 o   65.839   4.8333  1275.19  179.520  1612.12  256.684  952.606  251.164   74.506   5.9652   57.172   7.6066 17.33409 9.666614 
1 1 1   16   12   -4 o  140.496   2.2354  5673.54  172.109  5597.18  211.521  5823.15  296.064  139.141   2.6322  141.850   3.6139 -2.708588 4.470816 
1 1 1   16   13   -4 o   93.258   2.8002  2501.99  137.493  2478.97  163.351  2557.92  254.645   92.578   3.0551   93.937   4.6937 -1.359528 5.600373 
1 1 1   16   14   -4 o   36.574   6.8773  376.433  146.421  272.441  184.181  555.024  241.366   30.521   9.4652   42.627   9.9800 -12.10614 13.75465 
1 1 1   16   15   -4 o   68.859   4.0330  1332.86  150.922  1508.38  269.574  1252.74  182.143   71.993   6.4834   65.724   4.7984 6.268707 8.065929 
1 1 1   16   16   -4 o   26.156   6.9146  153.057  139.083  154.630  181.290  150.808  216.835   25.563   9.3771   26.749   10.165 -1.186754 13.82922 
1 1 1   16   17   -4 o   68.122   4.2478  1396.34  149.681  1241.38  274.893  1461.64  178.456   65.229   7.2968   71.014   4.3511 -5.785011 8.495650 
1 1 1   16   18   -4 o   27.357   9.1589  207.266  170.297   0.0000   0.0000  207.266  170.297  ?   ?    27.357   9.1589      ?      ? 
1 1 1   16   19   -4 o   92.143   3.2061  2442.28  169.718  2824.27  251.783  2124.18  229.761   98.703   4.4168   85.582   4.6484 13.12115 6.412198 
1 1 1   16   20   -4 o  142.558   2.3770  5902.28  193.584  5740.11  294.177  6026.14  257.094  140.799   3.6176  144.317   3.0845 -3.518158 4.754097 
1 1 1   16   21   -4 f  189.407   2.3928 10372.31  261.750 10372.31  261.750   0.0000   0.0000  189.407   2.3928  ?   ?       ?      ? 
1 1 1   16   22   -4 o   96.762   3.9136  2713.03  218.709  2713.03  218.709   0.0000   0.0000   96.762   3.9136  ?   ?       ?      ? 
1 1 1   16   23   -4 o   92.850   3.6699  2517.31  195.859  2309.65  282.624  2709.20  271.674   89.113   5.4914   96.587   4.8702 -7.474075 7.339872 
1 1 1   16   24   -4 o   36.590   9.3154  410.179  197.370   0.0000   0.0000  410.179  197.370  ?   ?    36.590   9.3154      ?      ? 
1 1 1   16   25   -4 o   23.774   9.6643   71.704  207.878   0.0000   0.0000   71.704  207.878  ?   ?    23.774   9.6643      ?      ? 
1 1 1   16   26   -4 f  115.570   3.8918  3862.03  258.276  3620.04  343.673  4176.06  391.497  111.475   5.3381  119.664   5.6647 -8.189568 7.783561 
1 1 1   16   27   -4 o  134.679   3.1743  5279.25  246.360  4851.06  346.883  5715.06  349.950  129.129   4.6513  140.229   4.3210 -11.09958 6.348664 
1 1 1   16   28   -4 o  106.162   4.2171  3385.05  249.941  3719.41  325.387  2903.85  390.357  112.941   4.9884   99.382   6.8009 13.55879 8.434270 
1 1 1   16   29   -4 f   67.769   5.0525  1270.58  173.697  1542.69  354.111  1184.37  199.324   71.918   8.5254   63.620   5.4247 8.297993 10.10498 
1 1 1   16   30   -4 o   93.308   4.8166  2553.72  258.380  2271.55  348.194  2899.51  385.448   87.598   6.8824   99.018   6.7401 -11.41969 9.633136 
1 1 1   16   31   -4 o   69.955   6.2867  1457.32  248.411  1085.94  330.687  1938.30  376.336   59.624   9.6031   80.287   8.1161 -20.66326 12.57343 
1 1 1   16   32   -4 o   17.666   6.1814 -707.2503  235.067 -561.4532  312.921 -896.0858  356.124   18.067   8.8539   17.264   8.6283 0.8027763 12.36279 
1 1 1   16   33   -4 o   52.212   7.2558  856.271  233.110  208.797  310.614  1691.19  352.720   30.117   11.960   74.306   8.2190 -44.18891 14.51155 
1 1 1   16   34   -4 o   22.002   7.0801 -169.0779  197.602 -324.8419  256.763   57.188  309.462   17.781   8.5478   26.224   11.289 -8.443010 14.16017 
1 1 1   16   35   -4 o   47.010   7.3428  795.955  214.827  1216.92  292.323  301.640  316.770   62.272   8.1280   31.748   12.231 30.52439 14.68566 
1 1 1   16   36   -4 o   41.136   7.5445  600.086  182.792  691.633  251.900  498.261  265.662   44.949   9.9649   37.323   11.330 7.625305 15.08901 
1 1 1   16   37   -4 o   28.007   6.5115  266.491  112.636  288.702  125.016  170.709  259.610   29.689   7.3339   26.324   10.762 3.365082 13.02294 
1 1 1   16   38   -4 o   39.604   6.7117  452.053  128.042  376.220  142.750  764.211  289.623   33.726   7.5204   45.482   11.119 -11.75644 13.42339 
1 1 1   16   39   -4 o   27.340   5.3253  235.135   83.191  308.226  144.398  198.820  101.780   30.069   8.1230   24.610   6.8886 5.458849 10.65063 
1 1 1   16   40   -4 o   11.633   5.5430 -114.9306  102.890   0.0000   0.0000 -114.9306  102.890  ?   ?    11.633   5.5430      ?      ? 
1 1 1   16   41   -4 o   20.162   5.3313  119.438   82.822   98.164  135.746  132.052  104.532   19.819   7.8949   20.505   7.1666 -0.6860466 10.66253 
1 1 1   16   42   -4 f   21.400   5.4246  143.310   86.811   94.670  119.263  198.121  126.603   18.917   7.4427   23.883   7.8937 -4.965729 10.84916 
1 1 1   16    0   -5 o  104.754   3.2362  3190.06  194.901  3144.21  272.404  3238.14  278.977  103.982   4.5559  105.526   4.5973 -0.000000 0.000000 
1 1 1   16    1   -5 o   57.109   3.9151  944.121  129.021  999.453  186.050  892.860  179.076   58.721   5.4860   55.497   5.5870 3.223423 7.830126 
1 1 1   16    2   -5 o   29.007   6.7624  207.921  154.721 -101.6934  252.534  393.983  195.767   21.945   9.7932   36.070   9.3280 -14.12477 13.52471 
1 1 1   16    3   -5 o  110.019   1.9232  3500.12  120.079  3490.63  188.047  3506.65  156.033  109.883   2.9631  110.155   2.4526 -0.2712784 3.846468 
1 1 1   16    4   -5 o   39.084   6.3828  507.810  148.577  684.965  187.121  205.573  244.411   48.563   6.6716   29.605   10.884 18.95842 12.76569 
1 1 1   16    5   -5 o   25.892   6.6793  163.082  122.684  103.321  234.484  185.607  143.960   26.050   10.376   25.734   8.4131 0.3155117 13.35854 
1 1 1   16    6   -5 o   33.476   6.7864  356.953  140.871  438.715  168.790  169.280  255.726   38.120   7.9252   28.831   11.019 9.288908 13.57272 
1 1 1   16    7   -5 o   48.927   4.3817  695.000  123.782  716.183  175.728  674.139  174.387   49.670   6.1259   48.184   6.2666 1.485851 8.763330 
1 1 1   16    8   -5 o   66.172   3.7617  1286.11  139.232  1200.03  222.843  1341.23  178.323   64.295   6.0011   68.049   4.5373 -3.753555 7.523357 
1 1 1   16    9   -5 o  123.495   2.0736  4319.59  128.340  4231.56  147.632  4591.92  259.668  121.011   2.1124  125.980   3.5689 -4.968346 4.147175 
1 1 1   16   10   -5 o   25.880   8.3916  189.437  143.343  189.437  143.343   0.0000   0.0000   25.880   8.3916  ?   ?       ?      ? 
1 1 1   16   11   -5 o   35.491   8.1905  328.952  203.305  536.401  297.546  147.293  278.437   42.023   11.784   28.960   11.379 13.06310 16.38101 
1 1 1   16   12   -5 o   92.379   3.4362  2473.98  183.292  2460.73  256.230  2487.86  262.304   92.129   4.8156   92.629   4.9031 -0.4997864 6.872434 
1 1 1   16   13   -5 o   81.936   3.5591  2011.49  154.356  2120.11  187.311  1781.66  272.471   85.576   3.7899   78.297   6.0255 7.278793 7.118268 
1 1 1   16   14   -5 o   77.366   3.8450  1730.16  171.307  1642.06  231.764  1836.27  254.335   75.212   5.3355   79.520   5.5379 -4.307632 7.689963 
1 1 1   16   15   -5 o   36.861   7.9914  412.112  165.224   0.0000   0.0000  412.112  165.224  ?   ?    36.861   7.9914      ?      ? 
1 1 1   16   16   -5 o   24.553   6.7445   80.026  140.108 -13.8013  182.960  213.069  217.866   20.164   8.6804   28.942   10.325 -8.778399 13.48894 
1 1 1   16   17   -5 o   27.630   6.6749   82.794  178.784 -584.4827  308.283  420.943  219.458   18.075   8.8430   37.185   10.001 -19.11027 13.34984 
1 1 1   16   18   -5 o   48.432   5.4203  643.250  168.900  1710.19  263.473 -101.0873  220.065   76.689   5.9487   20.175   9.0626 56.51357 10.84056 
1 1 1   16   19   -5 o  109.313   2.8662  3428.84  179.553  3721.30  275.277  3212.28  236.880  113.317   4.2062  105.309   3.8947 8.008255 5.732425 
1 1 1   16   20   -5 o  113.525   2.9222  3650.52  188.638  4215.06  300.616  3283.85  242.275  120.583   4.3166  106.467   3.9401 14.11579 5.844440 
1 1 1   16   21   -5 o   93.666   2.6616  2534.84  137.838  2519.15  171.457  2563.52  231.766   93.298   3.1820   94.035   4.2675 -0.7360916 5.323218 
1 1 1   16   22   -5 o   87.847   4.5042  2238.82  228.524   0.0000   0.0000  2238.82  228.524  ?   ?    87.847   4.5042      ?      ? 
1 1 1   16   23   -5 o   62.547   5.2741  1145.01  190.506  1163.34  270.011  1126.84  268.826   63.050   7.4150   62.043   7.5022 1.006950 10.54823 
1 1 1   16   24   -5 o   86.538   4.1846  2172.52  209.144   0.0000   0.0000  2172.52  209.144  ?   ?    86.538   4.1846      ?      ? 
1 1 1   16   25   -5 o  127.347   3.0143  4695.34  221.699   0.0000   0.0000  4695.34  221.699  ?   ?   127.347   3.0143      ?      ? 
1 1 1   16   26   -5 o   68.433   5.5647  1306.27  185.704  1247.12  209.962  1518.77  397.982   65.396   5.5591   71.471   9.6416 -6.075302 11.12942 
1 1 1   16   27   -5 o   87.015   5.2013  2168.50  257.193  1721.96  336.041  2799.98  399.616   76.433   7.6125   97.596   7.0896 -21.16317 10.40254 
1 1 1   16   28   -5 o   24.668   7.6900 -263.4242  250.094  158.857  321.898 -906.5089  397.239   30.253   12.121   19.082   9.4667 11.17142 15.38010 
1 1 1   16   29   -5 o   19.300   6.1679 -99.6699  146.765 -56.6841  194.693 -156.2478  223.363   19.535   8.6652   19.065   8.7800 0.4699669 12.33588 
1 1 1   16   30   -5 o  115.440   3.5826  3902.50  237.598  3898.33  320.025  3907.62  354.667  115.455   4.7994  115.426   5.3202 0.2854919E-01 7.165131 
1 1 1   16   31   -5 o   19.304   6.0408 -49.3842  133.262 -11.6965  193.505 -83.3836  183.792   20.418   8.8579   18.190   8.2160 2.228148 12.08162 
1 1 1   16   32   -5 o   43.049   8.6456  626.843  223.609  678.913  281.176  537.248  368.833   45.627   10.832   40.471   13.478 5.155651 17.29121 
1 1 1   16   33   -5 o   27.792   7.8425  -7.4636  224.318 -408.9883  312.419  419.806  322.279   19.419   9.3590   36.165   12.587 -16.74502 15.68493 
1 1 1   16   34   -5 o   42.252   8.3812  572.007  197.299  572.007  197.299   0.0000   0.0000   42.252   8.3812  ?   ?       ?      ? 
1 1 1   16   35   -5 o   25.061   7.4464   71.999  186.390 -44.4542  253.845  208.235  274.562   21.779   9.7616   28.343   11.248 -6.563826 14.89284 
1 1 1   16   36   -5 o   15.752   5.5557 -462.1837  160.238 -520.1818  189.590 -317.1559  299.803   12.174   6.1142   19.330   9.2779 -7.156322 11.11135 
1 1 1   16   37   -5 o   33.663   6.7578  276.676  125.261  158.953  141.514  702.656  269.194   23.063   8.3113   44.262   10.658 -21.19848 13.51561 
1 1 1   16   38   -5 o   49.511   4.2366  733.330  121.145   0.0000   0.0000  733.330  121.145  ?   ?    49.511   4.2366      ?      ? 
1 1 1   16   39   -5 o   14.406   4.6682 -83.6936   88.463   2.7719  134.217 -150.1059  117.628   16.758   7.3220   12.055   5.7928 4.702853 9.336384 
1 1 1   16   40   -5 o   12.787   4.5144 -319.0664  115.475 -270.7109  134.271 -456.4259  226.303   11.304   5.5893   14.270   7.0907 -2.966483 9.028776 
1 1 1   16   41   -5 f   28.825   5.6351  284.479   96.629  348.540  148.554  237.497  127.220   31.480   8.1181   26.170   7.8176 5.310453 11.27026 
1 1 1   16   42   -5 o   17.954   5.7697  -3.7197  120.741   63.156  131.568 -360.6066  303.936   18.118   7.5578   17.790   8.7199 0.3281288 11.53936 
1 1 1   16    0   -6 o   8.3249   4.3676 -543.8757  135.301 -768.5889  263.186 -463.1534  157.741   9.3901   6.9103   7.2597   5.3432 -0.000000 0.000000 
1 1 1   16    1   -6 o  108.798   2.7490  3441.42  171.744  3621.46  234.692  3233.85  251.995  111.890   3.6318  105.706   4.1277 6.183846 5.497992 
1 1 1   16    2   -6 o  ?   ?  -1249.3230  180.144   0.0000   0.0000 -1249.3230  180.144  ?   ?   ?   ?       ?      ? 
1 1 1   16    3   -6 o   97.428   2.9274  2743.76  164.554  2671.90  226.635  2823.90  239.312   96.083   4.0841   98.773   4.1951 -2.689240 5.854782 
1 1 1   16    4   -6 o  118.742   2.7843  4075.91  190.944  4075.91  190.944   0.0000   0.0000  118.742   2.7843  ?   ?       ?      ? 
1 1 1   16    5   -6 o  145.391   2.3270  6119.86  195.193  6367.86  273.972  5864.20  278.164  148.392   3.1968  142.391   3.3825 6.001465 4.654070 
1 1 1   16    6   -6 o   27.632   6.4677  208.597  122.505  270.608  171.897  144.597  174.632   30.289   9.0961   24.975   9.1969 5.314137 12.93533 
1 1 1   16    7   -6 o   29.979   6.7391  217.559  139.372  417.491  216.566   76.213  182.092   37.113   9.9152   22.844   9.1295 14.26882 13.47810 
1 1 1   16    8   -6 o   74.034   3.9255  1668.01  153.459  1807.18  187.610  1386.64  266.764   79.007   4.1116   69.061   6.6882 9.946236 7.850950 
1 1 1   16    9   -6 o   31.570   6.8024  316.745  141.647  409.709  163.300   34.262  284.658   36.793   7.9193   26.347   11.062 10.44657 13.60490 
1 1 1   16   10   -6 o  105.930   2.9243  3295.09  162.259  3360.60  193.514  3139.98  297.767  107.792   3.1084  104.068   4.9542 3.724693 5.848637 
1 1 1   16   11   -6 f  ?   ?  -818.7618  177.849 -818.7618  177.849   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   16   12   -6 o   23.118   6.5820 -238.9900  168.978 -626.4252  222.434  289.735  259.846   13.457   6.7394   32.778   11.308 -19.32076 13.16397 
1 1 1   16   13   -6 o  126.511   1.9212  4631.80  140.056  4568.96  204.359  4687.46  192.326  125.695   2.8151  127.327   2.6153 -1.632004 3.842478 
1 1 1   16   14   -6 o   90.803   3.3156  2387.38  173.736  2473.78  252.007  2309.12  239.845   92.364   4.7242   89.242   4.6534 3.121475 6.631152 
1 1 1   16   15   -6 o   73.295   4.2624  1495.83  176.542  1941.87  286.781  1223.66  224.021   81.716   6.0766   64.875   5.9790 16.84122 8.524834 
1 1 1   16   16   -6 o   37.569   6.3214  426.121  164.147   13.340  244.950  762.579  221.148   24.026   10.184   51.111   7.4918 -27.08431 12.64288 
1 1 1   16   17   -6 o   79.065   4.2068  1752.63  185.148  2059.43  315.470  1591.43  228.672   84.101   6.4949   74.028   5.3485 10.07303 8.413631 
1 1 1   16   18   -6 o   34.823   9.5700  367.748  198.414  367.748  198.414   0.0000   0.0000   34.823   9.5700  ?   ?       ?      ? 
1 1 1   16   19   -6 o   17.655   8.2809 -782.2465  170.932 -1794.9800  285.575 -216.8564  213.376  ?   ?    17.655   8.2809      ?      ? 
1 1 1   16   20   -6 o  117.346   2.8183  4116.18  184.800  3317.19  281.201  4723.58  245.180  106.944   4.5527  127.747   3.3231 -20.80285 5.636549 
1 1 1   16   21   -6 o  140.140   2.4702  5715.74  197.908  5462.79  298.269  5914.69  264.527  137.326   3.7607  142.954   3.2040 -5.628357 4.940492 
1 1 1   16   22   -6 o   82.626   4.7786  1982.01  228.035   0.0000   0.0000  1982.01  228.035  ?   ?    82.626   4.7786      ?      ? 
1 1 1   16   23   -6 o  130.978   2.4376  4948.84  179.048  4886.96  226.819  5051.15  291.658  129.941   3.0224  132.015   3.8253 -2.073990 4.875222 
1 1 1   16   24   -6 o  205.247   2.5119 12185.73  297.755 12185.73  297.755   0.0000   0.0000  205.247   2.5119  ?   ?       ?      ? 
1 1 1   16   25   -6 o   86.622   5.5350  2255.33  269.949  1917.49  409.994  2513.88  358.665   80.559   8.8120   92.684   6.7004 -12.12469 11.07010 
1 1 1   16   26   -6 o   79.532   5.5503  1845.24  254.944  1845.24  254.944   0.0000   0.0000   79.532   5.5503  ?   ?       ?      ? 
1 1 1   16   27   -6 o   52.422   5.3675  782.559  158.657  942.396  261.175  689.079  199.734   56.454   8.0103   48.390   7.1468 8.064529 10.73505 
1 1 1   16   28   -6 o   28.414   8.0265  147.532  182.392  158.985  212.653  115.661  354.739   26.557   10.072   30.270   12.500 -3.713446 16.05306 
1 1 1   16   29   -6 o   36.024   8.7997  299.300  203.837  191.898  236.848  606.056  400.278   28.326   10.656   43.721   14.007 -15.39513 17.59947 
1 1 1   16   30   -6 o   10.768   5.4664 -649.9810  177.274   0.0000   0.0000 -649.9810  177.274  ?   ?    10.768   5.4664      ?      ? 
1 1 1   16   31   -6 o  142.642   3.1760  5967.94  260.758  5391.65  367.781  6550.45  369.762  135.615   4.6957  149.670   4.2776 -14.05551 6.351957 
1 1 1   16   32   -6 o   45.627   8.9940  659.480  228.581  659.480  228.581   0.0000   0.0000   45.627   8.9940  ?   ?       ?      ? 
1 1 1   16   33   -6 o   33.330   7.8570  218.009  223.955  697.756  320.923 -237.4039  312.678   45.172   12.071   21.488   10.061 23.68450 15.71408 
1 1 1   16   34   -6 o   39.515   4.9829  196.888  197.301  1317.93  273.768 -1014.6000  284.597   65.540   7.2326   13.491   6.8561 52.04887 9.965779 
1 1 1   16   35   -6 o   34.866   7.4380  361.093  193.808   18.322  267.438  740.201  281.256   23.486   10.297   46.246   10.737 -22.75995 14.87610 
1 1 1   16   36   -6 o   30.970   7.8162  277.655  204.607 -39.8749  302.157  546.553  278.058   23.282   10.524   38.658   11.560 -15.37541 15.63248 
1 1 1   16   37   -6 o   60.982   6.3603  1155.06  224.008   0.0000   0.0000  1155.06  224.008  ?   ?    60.982   6.3603      ?      ? 
1 1 1   16   38   -6 o   19.296   5.2500   80.307   90.160 -38.5183  143.200  158.347  116.050   16.184   7.2864   22.409   7.5604 -6.224855 10.50009 
1 1 1   16   39   -6 o   13.465   6.6472 -351.4852  187.233   0.0000   0.0000 -351.4852  187.233  ?   ?    13.465   6.6472      ?      ? 
1 1 1   16   40   -6 o   11.990   5.8850 -244.8260  139.986   0.0000   0.0000 -244.8260  139.986  ?   ?    11.990   5.8850      ?      ? 
1 1 1   16   41   -6 f   12.105   4.2499 -302.0451  107.026 -319.8865  136.341 -273.3995  172.760   10.788   5.3835   13.421   6.5776 -2.633181 8.499835 
1 1 1   16    0   -7 o  ?   ?  -1027.3280  171.899 -1108.2939  250.433 -955.1927  236.380  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   16    1   -7 o  116.262   2.5520  3913.62  171.213  3775.88  244.033  4047.16  240.275  114.241   3.6986  118.284   3.5172 -4.043381 5.103981 
1 1 1   16    2   -7 o  124.524   1.6908  4489.36  117.775  4513.86  149.253  4448.95  191.732  124.988   2.0676  124.061   2.6759 0.9268417 3.381663 
1 1 1   16    3   -7 o  ?   ?  -895.4894  160.466   0.0000   0.0000 -895.4894  160.466  ?   ?   ?   ?       ?      ? 
1 1 1   16    4   -7 o   16.917   5.3759 -135.0372  119.314 -328.2469  179.020   19.381  160.042   13.983   6.8187   19.852   8.3130 -5.869458 10.75176 
1 1 1   16    5   -7 o  115.460   2.4185  3771.04  148.976  3641.32  177.743  4077.36  273.132  112.231   2.7422  118.688   3.9846 -6.457184 4.836963 
1 1 1   16    6   -7 o   45.506   5.8909  606.372  144.413  586.222  178.180  644.950  246.544   44.897   6.8716   46.114   9.5705 -1.217159 11.78187 
1 1 1   16    7   -7 o   65.470   4.6083  1232.00  172.716  1147.90  226.869  1347.94  266.375   62.859   6.2492   68.081   6.7746 -5.221554 9.216693 
1 1 1   16    8   -7 o  124.167   1.7543  4436.71  121.739  4379.31  153.383  4534.43  200.121  123.102   2.1574  125.233   2.7669 -2.131348 3.508543 
1 1 1   16    9   -7 o  100.937   3.2368  2948.20  187.562  2916.29  251.239  2988.38  281.908  100.338   4.3355  101.535   4.8074 -1.196716 6.473549 
1 1 1   16   10   -7 o   68.075   4.2310  1342.31  166.346   0.0000   0.0000  1342.31  166.346  ?   ?    68.075   4.2310      ?      ? 
1 1 1   16   11   -7 o   50.042   6.0431  727.783  174.655  727.783  174.655   0.0000   0.0000   50.042   6.0431  ?   ?       ?      ? 
1 1 1   16   12   -7 o   22.588   8.8068   92.155  165.743   92.155  165.743   0.0000   0.0000   22.588   8.8068  ?   ?       ?      ? 
1 1 1   16   13   -7 o  122.236   2.4207  4389.02  157.087  4494.15  189.385  4157.19  281.229  124.672   2.6302  119.800   4.0646 4.871384 4.841386 
1 1 1   16   14   -7 o   90.806   4.0028  2412.00  205.497  2311.76  321.948  2480.92  266.951   89.143   6.2534   92.470   4.9986 -3.327042 8.005630 
1 1 1   16   15   -7 o   21.203   6.8917 -323.9049  195.304   1.4193  311.088 -535.5485  250.916   26.674   11.397   15.731   7.7524 10.94269 13.78345 
1 1 1   16   16   -7 o  101.740   3.1186  3007.70  155.829  3014.26  178.526  2986.70  319.349  102.076   3.0283  101.405   5.4528 0.6713562 6.237299 
1 1 1   16   17   -7 o   61.367   4.3586  1085.91  150.944  1140.75  243.208  1051.54  192.506   62.572   6.7300   60.162   5.5404 2.410278 8.717124 
1 1 1   16   18   -7 o   94.986   3.0210  2602.48  160.930  2563.50  203.763  2667.11  262.366   94.086   3.7499   95.887   4.7376 -1.801636 6.042078 
1 1 1   16   19   -7 o   35.624   7.8875  333.447  164.969  489.762  318.715  276.241  192.807   40.454   12.436   30.795   9.7061 9.659569 15.77499 
1 1 1   16   20   -7 o   99.424   2.9819  2792.20  167.033  3192.03  274.387  2556.80  210.537  104.905   4.5288   93.943   3.8804 10.96175 5.963860 
1 1 1   16   21   -7 o  118.119   3.3488  3900.40  223.258  3385.06  281.517  4773.86  366.507  108.019   4.5125  128.218   4.9493 -20.19888 6.697662 
1 1 1   16   22   -7 o  101.680   3.5708  2994.75  209.695   0.0000   0.0000  2994.75  209.695  ?   ?   101.680   3.5708      ?      ? 
1 1 1   16   23   -7 o  191.323   2.5850 10821.16  249.097 11055.89  290.366 10166.92  484.757  195.499   2.5717  187.147   4.4849 8.352631 5.169920 
1 1 1   16   24   -7 o  164.676   2.8886  7876.60  237.019  7885.08  273.326  7850.87  475.919  165.052   2.8673  164.301   5.0154 0.7512054 5.777209 
1 1 1   16   25   -7 o   19.259   6.5838 -459.9744  217.660 -308.8396  265.574 -769.2180  379.887   19.015   9.0158   19.503   9.5971 -0.4877796 13.16767 
1 1 1   16   26   -7 o   94.799   4.6533  2599.16  253.061  2283.18  336.526  3010.37  383.901   88.252   6.6025  101.346   6.5588 -13.09421 9.306501 
1 1 1   16   27   -7 o   24.193   9.3691  117.316  186.609   0.0000   0.0000  117.316  186.609  ?   ?    24.193   9.3691      ?      ? 
1 1 1   16   28   -7 o   57.915   8.5652  1057.85  275.579  1002.30  366.473  1130.13  418.057   56.313   11.652   59.518   12.557 -3.204933 17.13033 
1 1 1   16   29   -7 o   14.260   5.0243 -519.2902  155.130 -580.8404  257.276 -484.1279  194.457   15.463   7.6619   13.057   6.5016 2.405912 10.04867 
1 1 1   16   30   -7 o   30.158   6.7593  286.643  143.063   52.246  256.761  392.175  172.284   24.926   10.488   35.390   8.5292 -10.46461 13.51854 
1 1 1   16   31   -7 o   64.148   7.1692  1346.13  245.293  1773.18  339.389  879.086  354.927   76.727   7.6589   51.570   12.121 25.15729 14.33834 
1 1 1   16   32   -7 o   47.508   7.7103  705.849  205.501  985.128  330.770  530.284  262.256   54.940   10.809   40.076   10.998 14.86452 15.42063 
1 1 1   16   33   -7 o   92.866   4.2217  2585.29  225.800  2562.77  330.863  2604.93  308.924   92.353   6.2031   93.378   5.7282 -1.024673 8.443420 
1 1 1   16   34   -7 o   46.314   6.9674  738.961  166.879  626.120  313.250  783.677  197.191   41.974   12.196   50.654   6.7404 -8.679897 13.93488 
1 1 1   16   35   -7 o   51.229   7.2944  900.622  210.938  750.724  305.461  1037.26  291.640   45.806   11.549   56.653   8.9134 -10.84686 14.58877 
1 1 1   16   36   -7 o   11.492   5.8489 -782.3430  212.668   0.0000   0.0000 -782.3430  212.668  ?   ?    11.492   5.8489      ?      ? 
1 1 1   16   37   -7 o   35.063   4.4735  367.490   83.257  449.750  149.707  330.656  100.178   37.154   7.2370   32.972   5.2606 4.181480 8.946997 
1 1 1   16   38   -7 o   55.672   5.9840  961.810  192.404   0.0000   0.0000  961.810  192.404  ?   ?    55.672   5.9840      ?      ? 
1 1 1   16   39   -7 o   11.609   5.8665 -573.8300  189.827   0.0000   0.0000 -573.8300  189.827  ?   ?    11.609   5.8665      ?      ? 
1 1 1   16   40   -7 o   17.608   5.3508   14.858  101.256 -60.3282  144.394   87.604  142.031   15.512   7.1124   19.704   7.9962 -4.192103 10.70165 
1 1 1   16   41   -7 o   31.006   6.2631  346.342  118.861  270.744  159.345  441.169  178.464   27.282   8.8478   34.730   8.8668 -7.447424 12.52610 
1 1 1   16    0   -8 o   51.031   6.3473  811.845  165.780  1022.67  249.953  646.271  221.512   57.837   7.9006   44.224   9.9364 -0.000000 0.000000 
1 1 1   16    1   -8 o  115.624   3.1283  3880.05  208.129  3486.85  293.714  4276.61  294.969  109.712   4.6354  121.537   4.2022 -11.82528 6.256649 
1 1 1   16    2   -8 o  118.013   2.2506  4085.48  147.770  4259.15  187.756  3802.83  239.529  121.382   2.6783  114.645   3.6176 6.736610 4.501112 
1 1 1   16    3   -8 o   73.658   3.7297  1576.55  147.331  1582.20  178.141  1564.32  262.091   73.924   4.1724   73.391   6.1833 0.5330734 7.459394 
1 1 1   16    4   -8 o   25.974   8.3181  192.329  141.173  192.329  141.173   0.0000   0.0000   25.974   8.3181  ?   ?       ?      ? 
1 1 1   16    5   -8 o  173.901   2.2897  8748.04  229.947  8630.83  325.914  8864.23  324.480  172.739   3.2668  175.064   3.2093 -2.325165 4.579484 
1 1 1   16    6   -8 o  169.768   1.8220  8319.68  174.714  8275.42  224.453  8387.72  278.307  169.214   2.2967  170.321   2.8292 -1.107391 3.644099 
1 1 1   16    7   -8 o  135.621   2.5370  5316.93  198.716  5316.93  198.716   0.0000   0.0000  135.621   2.5370  ?   ?       ?      ? 
1 1 1   16    8   -8 o   70.740   4.0853  1449.07  166.908   0.0000   0.0000  1449.07  166.908  ?   ?    70.740   4.0853      ?      ? 
1 1 1   16    9   -8 o   71.787   4.0020  1410.07  156.936  1763.67  281.873  1251.21  188.927   77.888   6.2661   65.685   4.9802 12.20354 8.004101 
1 1 1   16   10   -8 o   90.592   3.4124  2375.62  178.301  2305.50  244.669  2455.03  260.375   89.175   4.7506   92.010   4.8998 -2.834892 6.824723 
1 1 1   16   11   -8 o   36.045   8.4825  395.092  173.642  395.092  173.642   0.0000   0.0000   36.045   8.4825  ?   ?       ?      ? 
1 1 1   16   12   -8 o   58.499   8.2726  1000.78  279.498  1000.78  279.498   0.0000   0.0000   58.499   8.2726  ?   ?       ?      ? 
1 1 1   16   13   -8 o   64.051   5.2996  1191.02  196.047   0.0000   0.0000  1191.02  196.047  ?   ?    64.051   5.2996      ?      ? 
1 1 1   16   14   -8 o   14.805   5.2157 -515.6530  156.985 -561.2698  275.999 -493.8372  190.867   16.748   8.2292   12.862   6.4105 3.886133 10.43138 
1 1 1   16   15   -8 o  121.223   2.8519  4250.27  199.668  4250.27  199.668   0.0000   0.0000  121.223   2.8519  ?   ?       ?      ? 
1 1 1   16   16   -8 o   46.898   6.6020  662.842  175.081  561.367  249.741  760.914  245.516   42.813   10.238   50.983   8.3381 -8.170258 13.20404 
1 1 1   16   17   -8 o  143.535   2.6688  5957.88  221.235   0.0000   0.0000  5957.88  221.235  ?   ?   143.535   2.6688      ?      ? 
1 1 1   16   18   -8 o   21.056   6.1009 -135.4187  143.695  203.046  209.319 -437.0943  197.616   28.299   10.118   13.812   6.8203 14.48726 12.20180 
1 1 1   16   19   -8 o   37.555   7.2091  481.178  166.087  592.383  187.702   80.018  356.503   45.043   7.2153   30.068   12.483 14.97542 14.41826 
1 1 1   16   20   -8 o  145.684   2.4351  6117.26  200.732  6282.07  319.422  6009.70  258.052  147.262   3.7557  144.107   3.1006 3.155777 4.870171 
1 1 1   16   21   -8 o  131.811   3.3836  5030.72  257.584  5030.72  257.584   0.0000   0.0000  131.811   3.3836  ?   ?       ?      ? 
1 1 1   16   22   -8 o   99.786   4.2972  3003.90  232.600  3241.00  290.561  2580.85  388.118  105.639   4.7624   93.934   7.1541 11.70527 8.594317 
1 1 1   16   23   -8 o   91.226   3.8696  2354.57  178.302  2564.85  358.150  2285.28  205.591   93.687   6.6191   88.765   4.0103 4.921379 7.739203 
1 1 1   16   24   -8 o   21.994   7.4777 -389.1092  191.005 -445.1232  210.671 -130.4031  452.751   14.435   7.1117   29.553   13.156 -15.11797 14.95532 
1 1 1   16   25   -8 f  169.038   3.3587  8350.20  324.667  8608.90  433.885  8021.06  489.410  172.123   4.3647  165.952   5.1063 6.170776 6.717463 
1 1 1   16   26   -8 o   92.317   3.0654  2497.87  162.056  2697.22  221.458  2268.07  237.775   96.364   3.9791   88.271   4.6641 8.093918 6.130834 
1 1 1   16   27   -8 o   31.571   7.4632  286.468  168.499  119.252  267.193  396.875  217.114   27.345   11.013   35.796   10.076 -8.451609 14.92636 
1 1 1   16   28   -8 o   60.524   4.2812  1096.11  146.516  1305.67  203.078  868.609  211.594   66.797   5.2641   54.251   6.7532 12.54551 8.562487 
1 1 1   16   29   -8 o   52.719   6.1499  819.698  187.249   0.0000   0.0000  819.698  187.249  ?   ?    52.719   6.1499      ?      ? 
1 1 1   16   30   -8 o   11.991   6.0024 -478.4973  175.529   0.0000   0.0000 -478.4973  175.529  ?   ?    11.991   6.0024      ?      ? 
1 1 1   16   31   -8 o   31.669   6.8157 -208.5910  209.248  814.540  330.973 -889.8387  270.072   49.622   11.733   13.715   6.9385 35.90673 13.63131 
1 1 1   16   32   -8 o   51.851   7.5728  818.237  226.776   0.0000   0.0000  818.237  226.776  ?   ?    51.851   7.5728      ?      ? 
1 1 1   16   33   -8 o   15.127   7.4198 -400.2123  221.318   0.0000   0.0000 -400.2123  221.318  ?   ?    15.127   7.4198      ?      ? 
1 1 1   16   34   -8 o   80.690   4.9384  2001.64  229.438  1802.62  318.685  2215.79  330.591   76.354   7.2268   85.025   6.7322 -8.671387 9.876707 
1 1 1   16   35   -8 o  ?   ?  -1333.5270  211.460 -1367.2740  303.963 -1301.8770  294.368  ?   ?   ?   ?       ?      ? 
1 1 1   16   36   -8 o   16.607   5.7598 -127.6759   90.814 -77.8611  301.566 -132.6439   95.234   22.450   10.288   10.763   5.1820 11.68786 11.51960 
1 1 1   16   37   -8 o   44.955   7.7149  738.790  197.173  772.393  297.893  712.591  263.037   45.453   11.375   44.457   10.425 0.9956970 15.42971 
1 1 1   16   38   -8 o   28.164   5.0077  273.559   79.870  202.581  148.533  302.431   94.732   24.868   8.5511   31.459   5.2139 -6.590784 10.01535 
1 1 1   16   39   -8 o   16.297   5.0891 -29.9492   94.796   59.595  145.917 -95.3419  124.696   19.003   7.9459   13.591   6.3607 5.412243 10.17817 
1 1 1   16   40   -8 o   18.663   5.5672   55.003  102.688   61.781  147.082   48.557  143.433   18.952   7.9543   18.375   7.7911 0.5763226 11.13432 
1 1 1   16   41   -8 o   14.849   4.9793 -127.6853  113.410 -91.3447  145.166 -184.6083  181.683   14.697   6.8733   15.002   7.2063 -0.3050241 9.958545 
1 1 1   16    0   -9 o  139.324   2.4377  5658.76  194.541  5093.06  281.651  6174.89  269.029  132.581   3.6847  146.068   3.1925 -0.000000 0.000000 
1 1 1   16    1   -9 o  121.382   2.6079  4233.20  172.849  4356.83  299.725  4171.59  211.575  122.659   4.2310  120.104   3.0502 2.555283 5.215789 
1 1 1   16    2   -9 o   56.956   5.0886  945.653  166.691  929.862  246.070  959.044  226.605   56.493   7.5419   57.418   6.8333 -0.9253159 10.17715 
1 1 1   16    3   -9 o   32.329   7.7485  240.960  175.281  450.223  284.070  112.304  222.738   38.864   11.698   25.794   10.164 13.06936 15.49690 
1 1 1   16    4   -9 o  230.073   2.1394 15322.06  284.005 14890.29  406.902 15732.21  396.586  226.901   3.1050  233.246   2.9440 -6.344742 4.278835 
1 1 1   16    5   -9 o   17.555   5.8607 -263.1790  155.643 -172.5556  228.636 -341.4442  212.476   19.302   8.8871   15.807   7.6428 3.495020 11.72147 
1 1 1   16    6   -9 o   67.852   3.9160  1327.18  150.313  1380.64  240.006  1292.68  192.809   68.936   6.0282   66.767   5.0001 2.169167 7.832040 
1 1 1   16    7   -9 o  130.753   2.4260  4976.23  176.385  5058.55  222.303  4836.34  289.801  132.258   2.9103  129.248   3.8823 3.010208 4.852044 
1 1 1   16    8   -9 o  166.889   2.1700  7987.15  208.166  9130.44  310.053  7048.85  280.885  177.673   3.0215  156.104   3.1155 21.56937 4.340059 
1 1 1   16    9   -9 o   16.094   5.5186 -408.3257  162.553 -578.6240  238.201 -259.8958  222.382   14.683   7.2923   17.505   8.2851 -2.821450 11.03724 
1 1 1   16   10   -9 o  138.797   2.7258  5262.58  211.019  4430.69  260.283  6858.03  360.458  123.718   3.6427  153.876   4.0560 -30.15807 5.451677 
1 1 1   16   11   -9 o  166.900   2.5380  7888.66  241.704  6959.08  313.601  9248.88  379.351  155.061   3.5018  178.740   3.6748 -23.67871 5.076097 
1 1 1   16   12   -9 o   28.749   7.6626  152.667  170.346  288.947  282.634   74.920  213.476   33.271   11.771   24.226   9.8130 9.044226 15.32520 
1 1 1   16   13   -9 f   69.204   4.9649  1348.07  194.557  1160.12  247.174  1654.17  315.434   63.104   6.7821   75.304   7.2528 -12.20039 9.929743 
1 1 1   16   14   -9 o   78.726   4.0448  1795.45  183.908   0.0000   0.0000  1795.45  183.908  ?   ?    78.726   4.0448      ?      ? 
1 1 1   16   15   -9 o   52.582   5.4195  811.643  161.525  785.990  251.734  829.597  210.594   51.811   8.4127   53.354   6.8343 -1.542900 10.83893 
1 1 1   16   16   -9 o   93.409   3.4904  2525.72  188.297   0.0000   0.0000  2525.72  188.297  ?   ?    93.409   3.4904      ?      ? 
1 1 1   16   17   -9 o  136.999   3.1650  5444.17  250.308  5523.95  350.335  5360.96  357.760  138.035   4.3945  135.963   4.5560 2.071747 6.329991 
1 1 1   16   18   -9 o   61.841   5.9037  1112.50  210.858   0.0000   0.0000  1112.50  210.858  ?   ?    61.841   5.9037      ?      ? 
1 1 1   16   19   -9 o   50.943   7.5775  758.906  222.947  758.906  222.947   0.0000   0.0000   50.943   7.5775  ?   ?       ?      ? 
1 1 1   16   20   -9 o   84.087   4.5579  2051.64  221.348  2051.64  221.348   0.0000   0.0000   84.087   4.5579  ?   ?       ?      ? 
1 1 1   16   21   -9 o   55.155   6.9839  1002.28  178.759  761.131  364.199  1078.82  205.174   49.444   12.690   60.867   5.8365 -11.42340 13.96789 
1 1 1   16   22   -9 o   85.087   4.4890  2235.07  186.993  1878.09  367.247  2360.01  217.266   79.980   7.9505   90.195   4.1708 -10.21537 8.978096 
1 1 1   16   23   -9 o   24.582   7.6020 -48.9780  195.905   5.4134  331.431 -78.1867  242.875   27.406   11.738   21.758   9.6636 5.648306 15.20399 
1 1 1   16   24   -9 f  160.716   3.3280  7512.26  308.840  7341.40  437.165  7682.49  436.368  158.878   4.7643  162.555   4.6480 -3.676758 6.656012 
1 1 1   16   25   -9 o  119.798   3.5380  4079.33  221.989  4422.24  420.235  3946.60  261.444  122.998   5.9157  116.598   3.8824 6.400116 7.075960 
1 1 1   16   26   -9 o  157.413   3.0001  7123.29  226.209  7058.54  255.773  7355.80  484.692  156.096   2.8371  158.730   5.2872 -2.633453 6.000283 
1 1 1   16   27   -9 o  110.687   4.2824  3297.17  261.958  2545.29  319.835  4829.43  456.582   93.145   5.9454  128.229   6.1652 -35.08308 8.564897 
1 1 1   16   28   -9 o   68.228   4.6953  1307.99  166.506  1532.62  324.128  1227.46  194.070   71.713   7.8259   64.743   5.1902 6.970367 9.390565 
1 1 1   16   29   -9 f   17.548   6.1072 -648.1453  219.321 -411.3065  307.735 -892.6213  312.657   19.490   9.3665   15.605   7.8395 3.884406 12.21434 
1 1 1   16   30   -9 o   64.595   5.1672  1259.39  185.536  1218.58  303.626  1283.71  234.387   63.411   8.2907   65.779   6.1697 -2.368000 10.33445 
1 1 1   16   31   -9 o  103.785   3.7578  3165.09  224.409  2827.30  304.856  3564.62  331.546   97.739   5.4006  109.831   5.2268 -12.09153 7.515670 
1 1 1   16   32   -9 o   15.039   7.4003 -435.4439  225.880   0.0000   0.0000 -435.4439  225.880  ?   ?    15.039   7.4003      ?      ? 
1 1 1   16   33   -9 o   21.439   7.1543 -282.3327  234.162 -152.8972  322.645 -426.3841  340.375   22.791   10.516   20.088   9.7031 2.702682 14.30867 
1 1 1   16   34   -9 o   47.117   6.9084  685.475  187.992   0.0000   0.0000  685.475  187.992  ?   ?    47.117   6.9084      ?      ? 
1 1 1   16   35   -9 o   15.205   7.6616 -746.8273  152.492 -855.6949  310.802 -712.3105  175.005   15.205   7.6616  ?   ?       ?      ? 
1 1 1   16   36   -9 o   20.985   8.5976   85.539  166.154   0.0000   0.0000   85.539  166.154  ?   ?    20.985   8.5976      ?      ? 
1 1 1   16   37   -9 f   29.242   6.8460  300.448  120.873  199.387  304.840  319.301  131.666   27.491   11.489   30.994   7.4481 -3.503317 13.69193 
1 1 1   16   38   -9 o   10.705   3.8328 -445.7250  106.987 -401.6447  131.477 -532.1253  184.070   9.7662   4.9288   11.645   5.8711 -1.878507 7.665689 
1 1 1   16   39   -9 o   40.512   5.0805  546.059  114.346  599.315  154.554  481.657  169.962   43.590   6.1392   37.435   8.0967 6.154602 10.16100 
1 1 1   16   40   -9 o   26.508   6.1164  208.857  115.933   71.377  148.797  421.244  184.944   19.256   8.0353   33.760   9.2236 -14.50430 12.23275 
1 1 1   16   41   -9 o   47.801   6.7564  755.260  186.524   0.0000   0.0000  755.260  186.524  ?   ?    47.801   6.7564      ?      ? 
1 1 1   16    0  -10 o  224.620   3.0228 14588.78  391.983   0.0000   0.0000 14588.78  391.983  224.620   3.0228  224.620   3.0228 -0.000000 0.000000 
1 1 1   16    1  -10 o  118.201   2.3337  4098.66  153.618  4272.60  195.443  3817.50  248.484  121.560   2.7838  114.843   3.7463 6.716331 4.667426 
1 1 1   16    2  -10 o   78.253   4.3238  1780.54  195.274  1734.50  278.995  1824.76  273.408   77.249   6.2534   79.256   5.9730 -2.007088 8.647659 
1 1 1   16    3  -10 o   41.146   7.0393  517.497  160.560  526.416  199.803  501.239  269.765   41.694   8.5835   40.599   11.159 1.094757 14.07867 
1 1 1   16    4  -10 o   83.188   3.4810  2003.24  166.738  2229.90  240.988  1795.09  230.938   87.706   4.7575   78.670   5.0828 9.035561 6.961936 
1 1 1   16    5  -10 o  163.965   2.3382  7789.94  220.971  7556.55  319.894  8002.93  305.596  161.601   3.4275  166.329   3.1812 -4.727921 4.676318 
1 1 1   16    6  -10 o  101.729   4.0257  3076.92  229.533  3378.99  300.408  2653.19  355.793  107.952   4.8183   95.505   6.4504 12.44756 8.051329 
1 1 1   16    7  -10 o  146.512   2.8769  6163.41  241.160  5849.87  316.789  6595.56  371.908  142.141   3.8589  150.884   4.2678 -8.743027 5.753752 
1 1 1   16    8  -10 o   29.113   7.1722  225.332  146.154  189.385  238.493  246.950  184.954   28.796   10.720   29.430   9.5311 -0.6334572 14.34439 
1 1 1   16    9  -10 o   64.441   4.5134  1165.71  163.609  1033.96  205.100  1396.23  271.305   59.642   5.9542   69.240   6.7845 -9.597744 9.026723 
1 1 1   16   10  -10 o   32.289   6.7178  198.935  197.223  628.053  245.729 -577.9276  330.628   45.406   9.6669   19.172   9.3310 26.23399 13.43562 
1 1 1   16   11  -10 o  105.957   3.5926  3247.38  217.304  3189.80  285.219  3327.05  335.493  104.878   4.7088  107.036   5.4271 -2.158386 7.185116 
1 1 1   16   12  -10 o  156.875   2.2922  7046.08  198.109  7368.51  338.405  6877.96  244.359  159.531   3.6729  154.218   2.7435 5.312820 4.584423 
1 1 1   16   13  -10 o  102.683   2.9712  3061.77  171.979  3024.99  274.072  3085.67  220.876  102.133   4.6463  103.232   3.7047 -1.098503 5.942481 
1 1 1   16   14  -10 o   55.723   7.1228  1038.03  206.514  1292.34  261.506  616.614  336.627   66.594   6.7992   44.852   12.518 21.74268 14.24569 
1 1 1   16   15  -10 o   27.263   7.6120  140.169  159.622  172.145  181.242   29.614  337.004   26.230   9.4107   28.297   11.967 -2.066956 15.22405 
1 1 1   16   16  -10 f   63.959   3.6774  1190.07  135.452  1153.39  197.332  1222.74  186.262   63.010   5.4226   64.907   4.9687 -1.897972 7.354756 
1 1 1   16   17  -10 o  103.797   3.2441  3118.10  194.479   0.0000   0.0000  3118.10  194.479  ?   ?   103.797   3.2441      ?      ? 
1 1 1   16   18  -10 o   57.777   5.2362  1089.10  145.584  1227.31  174.606  773.855  263.697   65.039   4.6484   50.514   9.3842 14.52486 10.47234 
1 1 1   16   19  -10 o  125.741   2.3475  4628.83  147.198  4680.81  170.234  4474.81  293.033  127.238   2.3166  124.245   4.0837 2.992409 4.694989 
1 1 1   16   20  -10 o   59.413   6.4359  962.548  210.618  1313.98  373.211  798.320  255.127   66.699   9.6883   52.126   8.4745 14.57323 12.87173 
1 1 1   16   21  -10 o   55.133   4.4005  900.540  133.967  836.606  220.617  937.886  168.613   53.472   7.1438   56.795   5.1404 -3.323643 8.800981 
1 1 1   16   22  -10 o   96.510   3.8239  2579.26  192.430  3022.38  373.177  2418.75  224.593  101.731   6.3515   91.288   4.2599 10.44278 7.647737 
1 1 1   16   23  -10 o   66.408   5.5398  1355.34  170.009  1198.94  366.191  1398.31  191.949   63.473   9.9893   69.343   4.7929 -5.870075 11.07959 
1 1 1   16   24  -10 o   22.932   7.3857 -155.6084  197.350 -96.7600  356.798 -181.5479  236.885   26.414   11.723   19.449   8.9871 6.964659 14.77142 
1 1 1   16   25  -10 o  125.719   3.4113  4557.86  222.379  4710.08  423.234  4499.81  261.365  126.918   5.7740  124.520   3.6343 2.397453 6.822525 
1 1 1   16   26  -10 o   44.980   7.7301  589.912  159.902  665.976  398.082  575.278  174.608   45.766   13.864   44.194   6.8409 1.571896 15.46029 
1 1 1   16   27  -10 o   70.113   5.8507  1452.93  233.367  1387.82  302.133  1549.23  367.426   68.350   7.6538   71.877   8.8510 -3.527702 11.70131 
1 1 1   16   28  -10 o   52.268   6.7916  739.144  165.586  1048.52  376.417  664.912  184.385   57.160   11.794   47.375   6.7389 9.785179 13.58315 
1 1 1   16   29  -10 o   32.476   8.1602  196.946  176.046  561.818  358.873   81.319  202.023   41.569   13.257   23.384   9.5187 18.18493 16.32039 
1 1 1   16   30  -10 o   35.616   9.1060  372.307  242.313  471.251  351.841  283.034  334.205   38.387   13.163   32.845   12.586 5.542000 18.21193 
1 1 1   16   31  -10 o   50.631   7.6360  894.505  217.502  577.560  343.245  1107.15  281.152   41.160   12.947   60.102   8.0997 -18.94197 15.27202 
1 1 1   16   32  -10 o   37.835   8.7124  466.234  240.429  740.140  334.505  173.495  345.813   45.995   12.337   29.674   12.305 16.32103 17.42482 
1 1 1   16   33  -10 o   42.687   6.9631  716.278  159.914  344.077  330.356  830.182  182.753   33.018   12.546   52.357   6.0437 -19.33903 13.92612 
1 1 1   16   34  -10 o   54.332   6.4837  963.504  183.674  998.482  326.137  947.256  222.276   53.440   10.935   55.223   6.9693 -1.782906 12.96738 
1 1 1   16   35  -10 o   28.284   7.8822  264.933  133.566   0.0000   0.0000  264.933  133.566  ?   ?    28.284   7.8822      ?      ? 
1 1 1   16   36  -10 o   44.904   6.7063  633.492  173.921   0.0000   0.0000  633.492  173.921  ?   ?    44.904   6.7063      ?      ? 
1 1 1   16   37  -10 o   45.721   7.0509  791.342  170.375  614.720  314.496  864.710  202.696   39.147   12.402   52.294   6.7113 -13.14685 14.10186 
1 1 1   16   38  -10 o   35.948   5.3829  417.527  107.064  332.111  137.457  549.274  170.713   31.309   7.6637   40.587   7.5609 -9.277878 10.76570 
1 1 1   16   39  -10 o   22.549   8.9727  141.612  175.169   0.0000   0.0000  141.612  175.169  ?   ?    22.549   8.9727      ?      ? 
1 1 1   16   40  -10 o   29.468   6.7228  306.837  124.853  250.993  153.066  417.862  215.824   26.404   8.6772   32.533   10.271 -6.129274 13.44555 
1 1 1   16    0  -11 o   74.692   5.0912  1591.17  185.804  2785.29  298.906  839.200  237.199   97.655   5.3361   51.728   8.6722 -0.000000 0.000000 
1 1 1   16    1  -11 o  158.246   2.1361  7224.31  193.846  7091.81  258.093  7395.77  293.608  156.600   2.8536  159.893   3.1795 -3.293137 4.272267 
1 1 1   16    2  -11 o  206.979   2.3402 12404.92  279.500 12079.65  400.255 12714.49  390.471  204.319   3.3919  209.640   3.2250 -5.320633 4.680346 
1 1 1   16    3  -11 o   35.521   7.5927  387.500  174.509  205.025  293.294  487.503  217.125   31.061   11.817   39.980   9.5368 -8.918985 15.18534 
1 1 1   16    4  -11 o   83.557   3.9009  2031.82  186.668  2065.33  249.567  1989.26  281.239   84.372   5.1216   82.742   5.8853 1.630310 7.801733 
1 1 1   16    5  -11 o   78.541   3.7942  1851.03  158.025  1955.76  192.196  1632.48  277.635   82.174   4.0497   74.909   6.4174 7.265678 7.588320 
1 1 1   16    6  -11 o   43.826   8.1557  608.701  225.018  860.907  297.409  271.037  344.127   53.281   10.033   34.370   12.861 18.91115 16.31144 
1 1 1   16    7  -11 o   30.404   8.0329  204.243  196.777  317.873  243.131 -11.5235  335.032   33.404   10.934   27.404   11.771 5.999504 16.06572 
1 1 1   16    8  -11 o   60.077   5.9668  1061.52  197.977  1074.83  247.251  1037.73  330.488   60.725   7.0499   59.430   9.6287 1.295422 11.93367 
1 1 1   16    9  -11 o   22.656   9.6651   0.2708  223.123   0.2708  223.123   0.0000   0.0000   22.656   9.6651  ?   ?       ?      ? 
1 1 1   16   10  -11 o   99.072   2.8563  2838.81  163.432  2838.81  163.432   0.0000   0.0000   99.072   2.8563  ?   ?       ?      ? 
1 1 1   16   11  -11 o  179.310   2.5965  9269.10  266.261  9035.26  350.766  9587.04  409.009  176.682   3.4375  181.938   3.8925 -5.256012 5.193014 
1 1 1   16   12  -11 o  209.429   2.6243 12694.73  317.347 12453.26  443.099 12949.03  454.720  207.387   3.6994  211.471   3.7231 -4.084091 5.248573 
1 1 1   16   13  -11 o   43.794   7.5691  592.359  190.764  674.163  263.379  502.088  276.675   46.996   10.010   40.592   11.356 6.403957 15.13816 
1 1 1   16   14  -11 o  128.686   2.5031  4756.78  179.575  4654.74  225.010  4935.78  298.022  126.841   3.0715  130.532   3.9532 -3.691734 5.006183 
1 1 1   16   15  -11 o   24.688   7.6207 -27.8395  188.243 -14.9846  222.749 -59.9595  352.103   22.243   9.5767   27.132   11.857 -4.888981 15.24144 
1 1 1   16   16  -11 o  165.361   2.2946  7904.78  208.635  7943.50  354.509  7884.25  258.057  165.615   3.7063  165.107   2.7062 0.5071716 4.589164 
1 1 1   16   17  -11 o   17.484   5.8735 -240.3279  150.765 -336.3527  267.056 -195.4072  182.656   18.797   8.9492   16.171   7.6094 2.625963 11.74697 
1 1 1   16   18  -11 o   80.229   4.7140  1868.19  218.426   0.0000   0.0000  1868.19  218.426  ?   ?    80.229   4.7140      ?      ? 
1 1 1   16   19  -11 o   34.294   8.1085  326.205  198.843  141.331  303.707  464.911  263.065   29.552   11.797   39.035   11.127 -9.482630 16.21693 
1 1 1   16   20  -11 o  119.021   2.5165  4114.24  172.546  3900.59  248.621  4312.77  239.658  116.016   3.7105  122.027   3.4006 -6.010399 5.033068 
1 1 1   16   21  -11 o   34.571   7.7314  355.203  143.712  226.611  380.932  376.543  155.179   34.001   13.325   35.141   7.8447 -1.139881 15.46276 
1 1 1   16   22  -11 o   47.146   9.2174  692.425  269.107  449.171  382.765  930.191  378.422   39.766   13.724   54.527   12.308 -14.76158 18.43488 
1 1 1   16   23  -11 o  175.645   3.0433  8911.03  306.953  8506.33  409.089  9432.42  464.336  171.148   4.1387  180.141   4.4631 -8.993515 6.086677 
1 1 1   16   24  -11 o   65.315   5.1285  1243.78  193.460   0.0000   0.0000  1243.78  193.460  ?   ?    65.315   5.1285      ?      ? 
1 1 1   16   25  -11 o   63.247   5.2086  1031.91  164.059  1494.01  355.274  906.664  184.961   70.839   8.6837   55.656   5.7542 15.18317 10.41718 
1 1 1   16   26  -11 o   64.357   6.1584  1236.88  226.877  1250.88  345.042  1226.22  301.128   64.534   9.2576   64.180   8.1240 0.3539581 12.31676 
1 1 1   16   27  -11 o   86.030   3.4300  2157.28  169.503  2098.52  226.891  2231.49  254.989   84.756   4.6351   87.304   5.0571 -2.548599 6.859918 
1 1 1   16   28  -11 o   24.963   7.2494   3.4502  164.762  256.724  290.026 -117.2395  200.206   31.503   11.803   18.422   8.4202 13.08095 14.49876 
1 1 1   16   29  -11 o   48.251   6.8708  583.177  151.613  1056.33  364.104  483.930  166.757   56.987   11.460   39.515   7.5828 17.47201 13.74162 
1 1 1   16   30  -11 o   21.666   7.2856 -390.7108  251.780 -219.7063  354.913 -563.9665  357.241   23.554   10.925   19.778   9.6420 3.776361 14.57115 
1 1 1   16   31  -11 o   31.118   8.4261  260.410  218.988   93.738  347.450  370.253  282.065   28.230   12.052   34.006   11.779 -5.775499 16.85229 
1 1 1   16   32  -11 o   65.945   6.2388  1374.49  237.424  1432.43  344.037  1321.81  328.069   67.246   8.8583   64.643   8.7874 2.603271 12.47752 
1 1 1   16   33  -11 o   15.792   5.5719 -559.4497  188.235 -736.2266  336.755 -479.1173  227.011   17.105   8.5238   14.478   7.1784 2.626719 11.14378 
1 1 1   16   34  -11 o   68.654   5.5006  1469.31  215.806  1719.83  336.071  1293.53  281.516   73.415   7.9262   63.893   7.6290 9.521915 11.00116 
1 1 1   16   35  -11 o   40.800   7.0174  667.187  161.585  358.244  330.410  764.301  185.249   32.058   12.452   49.542   6.4744 -17.48398 14.03487 
1 1 1   16   36  -11 o   18.015   6.0234 -148.0721  152.939 -210.0111  279.503 -121.6017  182.719   19.474   9.2377   16.556   7.7323 2.917667 12.04673 
1 1 1   16   37  -11 o   21.836   6.8656   19.891  172.996 -51.8346  278.588   64.908  220.705   21.632   9.9041   22.040   9.5108 -0.4084263 13.73120 
1 1 1   16   38  -11 o   24.030   6.3872  179.080  117.712  168.432  149.242  196.607  191.482   23.150   8.5056   24.910   9.5311 -1.759285 12.77447 
1 1 1   16   39  -11 o   25.478   6.2571  226.810  112.433  217.948  168.648  233.900  150.846   25.151   9.0717   25.806   8.6201 -0.6549187 12.51411 
1 1 1   16   40  -11 o   15.689   5.2965 -158.6948  129.334 -192.0826  165.588 -106.4622  207.113   14.035   6.7766   17.342   8.1419 -3.306693 10.59307 
1 1 1   16    0  -12 o   58.277   8.6999  1444.35  227.232  491.859  369.644  2022.93  288.095   33.658   16.298   82.895   6.0933 -0.000000 0.000000 
1 1 1   16    1  -12 o   99.763   3.0895  2789.78  168.420  3172.48  297.803  2609.82  204.216  104.580   4.9305   94.945   3.7242 9.635239 6.178954 
1 1 1   16    2  -12 o   88.464   3.4896  2270.25  177.710  2518.87  254.633  2034.16  248.134   93.203   4.7304   83.726   5.1315 9.476715 6.979164 
1 1 1   16    3  -12 o   92.933   2.7058  2495.13  144.201  2454.71  192.104  2547.30  218.253   92.087   3.6121   93.780   4.0296 -1.692947 5.411550 
1 1 1   16    4  -12 o   52.847   6.6419  813.147  202.723  813.147  202.723   0.0000   0.0000   52.847   6.6419  ?   ?       ?      ? 
1 1 1   16    5  -12 o   81.969   3.4181  1953.38  160.987  1998.91  218.438  1899.24  238.180   83.037   4.5548   80.901   5.0976 2.136360 6.836112 
1 1 1   16    6  -12 o   20.891   8.8866   3.3222  187.642   0.0000   0.0000   3.3222  187.642  ?   ?    20.891   8.8866      ?      ? 
1 1 1   16    7  -12 o   99.686   3.1526  2900.18  171.993  2943.46  212.613  2818.23  292.567  100.832   3.6510   98.540   5.1407 2.291428 6.305294 
1 1 1   16    8  -12 o   53.687   5.8457  824.480  178.621  738.694  229.958  954.971  283.616   50.273   7.9200   57.100   8.6002 -6.826530 11.69144 
1 1 1   16    9  -12 o   29.329   8.6628   60.668  245.002   73.550  346.231   47.748  346.740   29.596   12.296   29.062   12.206 0.5346947 17.32570 
1 1 1   16   10  -12 o   22.348   9.6474 -20.5898  227.270 -20.5898  227.270   0.0000   0.0000   22.348   9.6474  ?   ?       ?      ? 
1 1 1   16   11  -12 f  198.310   2.5817 11384.28  292.789 11371.38  387.799 11401.38  446.512  198.215   3.3875  198.404   3.8967 -0.1887970 5.163303 
1 1 1   16   12  -12 o  131.994   2.2845  5036.82  171.305  5015.25  222.801  5068.00  267.912  131.673   2.9298  132.315   3.5059 -0.6417847 4.568904 
1 1 1   16   13  -12 o   94.145   4.3146  2569.13  234.595   0.0000   0.0000  2569.13  234.595  ?   ?    94.145   4.3146      ?      ? 
1 1 1   16   14  -12 o  149.220   2.6891  6439.59  231.753   0.0000   0.0000  6439.59  231.753  ?   ?   149.220   2.6891      ?      ? 
1 1 1   16   15  -12 o   89.739   4.9033  2344.96  253.644  2282.59  346.336  2417.12  372.506   88.475   6.7779   91.004   7.0874 -2.528702 9.806688 
1 1 1   16   16  -12 f  106.426   3.8001  3318.75  199.383  3239.14  404.360  3344.32  229.180  105.398   6.6428  107.454   3.6929 -2.056076 7.600270 
1 1 1   16   17  -12 o  112.365   3.5205  3535.61  199.135  3936.91  404.215  3407.00  228.831  116.277   6.0191  108.453   3.6533 7.824226 7.041054 
1 1 1   16   18  -12 o   60.278   6.1921  1059.00  215.569   0.0000   0.0000  1059.00  215.569  ?   ?    60.278   6.1921      ?      ? 
1 1 1   16   19  -12 o   88.833   4.6215  2216.03  224.137  2572.03  398.353  2051.12  271.126   93.725   7.3592   83.942   5.5925 9.783104 9.243035 
1 1 1   16   20  -12 o   82.550   3.9653  1976.36  189.052   0.0000   0.0000  1976.36  189.052  ?   ?    82.550   3.9653      ?      ? 
1 1 1   16   21  -12 o  157.365   2.9815  7170.03  270.978  7170.03  270.978   0.0000   0.0000  157.365   2.9815  ?   ?       ?      ? 
1 1 1   16   22  -12 o  107.327   3.7589  3341.72  233.001   0.0000   0.0000  3341.72  233.001  ?   ?   107.327   3.7589      ?      ? 
1 1 1   16   23  -12 o   67.279   4.2890  1315.74  166.654   0.0000   0.0000  1315.74  166.654  ?   ?    67.279   4.2890      ?      ? 
1 1 1   16   24  -12 o   42.593   10.841  568.920  267.345   0.0000   0.0000  568.920  267.345  ?   ?    42.593   10.841      ?      ? 
1 1 1   16   25  -12 o   12.432   6.2604 -634.8862  205.805   0.0000   0.0000 -634.8862  205.805  ?   ?    12.432   6.2604      ?      ? 
1 1 1   16   26  -12 o   72.936   6.0651  1589.60  254.356  1394.64  349.785  1808.39  370.540   68.105   8.8928   77.767   8.2500 -9.662186 12.13026 
1 1 1   16   27  -12 o  105.370   3.9554  3236.44  240.712   0.0000   0.0000  3236.44  240.712  ?   ?   105.370   3.9554      ?      ? 
1 1 1   16   28  -12 o   14.449   7.0948 -394.9124  204.087   0.0000   0.0000 -394.9124  204.087  ?   ?    14.449   7.0948      ?      ? 
1 1 1   16   29  -12 f   46.934   7.0365  760.609  169.530  556.467  321.255  839.401  199.583   40.872   12.471   52.996   6.5207 -12.12369 14.07307 
1 1 1   16   30  -12 f   47.813   7.2541  693.928  200.315   0.0000   0.0000  693.928  200.315  ?   ?    47.813   7.2541      ?      ? 
1 1 1   16   31  -12 o   16.202   8.0781 -943.6210  223.747 -709.2783  304.255 -1219.6100  330.186   16.202   8.0781  ?   ?       ?      ? 
1 1 1   16   32  -12 o   59.550   6.8233  1174.64  225.785  1268.96  305.740  1061.51  334.859   63.334   8.3585   55.765   10.787 7.568962 13.64658 
1 1 1   16   33  -12 o   16.493   7.6901 -128.6906  179.521   0.0000   0.0000 -128.6906  179.521  ?   ?    16.493   7.6901      ?      ? 
1 1 1   16   34  -12 o   28.285   7.3131  249.669  140.496  259.853  293.965  246.654  159.946   29.286   11.633   27.284   8.8654 2.002569 14.62618 
1 1 1   16   35  -12 o   40.655   7.1259  566.741  153.375  648.619  293.849  536.082  179.812   41.207   11.765   40.102   8.0435 1.104958 14.25171 
1 1 1   16   36  -12 f   18.395   6.2100 -220.8794  181.009 -258.1957  287.343 -196.3291  233.066   19.092   9.1421   17.699   8.4072 1.393169 12.42008 
1 1 1   16   37  -12 o   26.717   7.2511  235.011  145.911  127.017  329.585  261.337  162.727   26.009   11.416   27.424   8.9437 -1.415003 14.50230 
1 1 1   16   38  -12 o   18.111   5.7321 -20.6092  120.930   41.397  191.208 -61.9466  156.120   20.117   8.7660   16.104   7.3881 4.013683 11.46416 
1 1 1   16   39  -12 o   48.606   6.5749  767.579  162.646  636.378  189.492  1134.72  316.984   42.819   7.9553   54.392   10.471 -11.57315 13.14984 
1 1 1   16    0  -13 o   99.901   3.6976  2897.57  212.677   0.0000   0.0000  2897.57  212.677   99.901   3.6976   99.901   3.6976 -0.000000 0.000000 
1 1 1   16    1  -13 o   99.817   2.4258  2905.43  138.246  3052.74  185.028  2719.27  208.001  102.722   3.1188   96.912   3.7162 5.810379 4.851532 
1 1 1   16    2  -13 o   59.563   3.9664  1036.76  135.614  1114.06  186.724  950.469  197.286   61.951   5.2188   57.176   5.9745 4.775146 7.932816 
1 1 1   16    3  -13 o   63.026   6.2024  1224.40  199.243  1065.58  353.024  1298.64  241.358   59.241   10.712   66.810   6.2551 -7.568985 12.40481 
1 1 1   16    4  -13 o   27.944   7.9488  102.315  174.089   75.767  200.847  182.510  349.084   23.672   9.5429   32.216   12.715 -8.543839 15.89755 
1 1 1   16    5  -13 o   17.212   8.2890 -649.4777  150.031 -820.9149  190.235 -367.3988  244.019  ?   ?    17.212   8.2890      ?      ? 
1 1 1   16    6  -13 f  161.982   1.7522  7578.41  163.060  7657.58  243.964  7514.49  219.220  162.736   2.5957  161.227   2.3543 1.508865 3.504328 
1 1 1   16    7  -13 o  124.437   3.1122  4518.23  204.674  4563.34  245.029  4414.08  372.283  125.568   3.3787  123.306   5.2276 2.262070 6.224450 
1 1 1   16    8  -13 o   40.489   7.4899  496.898  177.354  573.925  261.570  431.352  241.290   43.267   10.560   37.711   10.624 5.555080 14.97986 
1 1 1   16    9  -13 o  136.438   3.4666  5388.37  273.161   0.0000   0.0000  5388.37  273.161  ?   ?   136.438   3.4666      ?      ? 
1 1 1   16   10  -13 o  136.659   3.4302  5427.46  270.179  5598.53  374.157  5241.07  390.553  138.938   4.6628  134.381   5.0322 4.556473 6.860377 
1 1 1   16   11  -13 o  137.055   2.7717  5339.09  205.213  5727.84  366.893  5162.10  247.559  140.548   4.5199  133.562   3.2093 6.985184 5.543396 
1 1 1   16   12  -13 o  126.199   3.0516  4613.21  222.334  4469.04  309.620  4766.69  319.466  124.165   4.3176  128.234   4.3136 -4.068550 6.103179 
1 1 1   16   13  -13 o   87.290   4.3894  2341.44  200.424  1908.52  351.703  2549.64  243.904   80.815   7.5353   93.764   4.5040 -12.94890 8.778717 
1 1 1   16   14  -13 o  204.405   2.1388 12077.23  252.497   0.0000   0.0000 12077.23  252.497  ?   ?   204.405   2.1388      ?      ? 
1 1 1   16   15  -13 f   20.509   6.5649 -69.6675  146.866 -396.5008  338.323   6.2230  163.028   21.451   10.172   19.568   8.3020 1.882803 13.12982 
1 1 1   16   16  -13 o   33.850   8.7384  349.346  172.005   0.0000   0.0000  349.346  172.005  ?   ?    33.850   8.7384      ?      ? 
1 1 1   16   17  -13 o   66.728   6.2066  1234.73  224.813  1533.70  408.666  1105.00  269.208   72.030   9.8236   61.427   7.5883 10.60286 12.41314 
1 1 1   16   18  -13 o   67.746   6.9034  1341.75  270.105   0.0000   0.0000  1341.75  270.105  ?   ?    67.746   6.9034      ?      ? 
1 1 1   16   19  -13 o  129.249   2.6949  4804.27  179.933  4931.32  344.226  4756.50  211.064  130.301   4.5742  128.197   2.8507 2.103958 5.389753 
1 1 1   16   20  -13 o   77.998   4.8142  1800.02  212.512  1676.29  328.766  1888.83  278.520   75.552   7.5346   80.445   5.9948 -4.893417 9.628446 
1 1 1   16   21  -13 o   85.238   4.6013  2091.18  219.781  1986.55  275.999  2272.50  363.340   82.493   5.7930   87.982   7.1504 -5.489456 9.202607 
1 1 1   16   22  -13 o   44.565   7.6890  636.984  197.514  748.256  260.397  486.227  303.095   49.356   9.4797   39.775   12.109 9.580860 15.37796 
1 1 1   16   23  -13 o   66.887   5.6071  1356.57  170.387  1269.70  380.504  1378.35  190.560   64.998   10.136   68.775   4.7975 -3.776627 11.21416 
1 1 1   16   24  -13 o  106.621   3.4472  3198.14  179.578  3545.30  380.263  3098.49  203.727  109.926   5.9896  103.317   3.4142 6.609123 6.894375 
1 1 1   16   25  -13 o   38.727   7.7125  450.233  183.986  653.590  281.013  297.656  243.410   45.384   10.865   32.071   10.949 13.31243 15.42507 
1 1 1   16   26  -13 o  106.350   4.1856  3334.53  256.652  3093.94  360.849  3580.83  365.110  102.399   6.1016  110.300   5.7314 -7.901390 8.371291 
1 1 1   16   27  -13 o   90.859   3.3591  2477.17  171.795  2788.99  229.092  2076.53  259.682   97.732   4.0587   83.987   5.3536 13.74430 6.718181 
1 1 1   16   28  -13 o   70.131   5.1854  1468.64  191.641  1451.25  228.197  1510.26  353.002   70.016   5.6432   70.247   8.7009 -0.2313309 10.37071 
1 1 1   16   29  -13 o   23.288   5.9902   66.117  120.006  294.665  182.742 -107.1803  159.127   30.522   9.4220   16.054   7.3998 14.46821 11.98040 
1 1 1   16   30  -13 o   49.843   7.2060  758.257  207.433  758.257  207.433   0.0000   0.0000   49.843   7.2060  ?   ?       ?      ? 
1 1 1   16   31  -13 o  ?   ?  -685.1627  116.434 -731.6953  196.574 -660.0145  144.512  ?   ?   ?   ?       ?      ? 
1 1 1   16   32  -13 o   86.156   4.7189  2259.36  231.832  2464.67  363.095  2118.06  301.224   89.099   7.0560   83.212   6.2678 5.886940 9.437860 
1 1 1   16   33  -13 o   54.829   6.0785  1021.09  172.817  1105.26  214.921  867.106  290.690   59.915   6.2109   49.743   10.451 10.17280 12.15701 
1 1 1   16   34  -13 o   28.268   7.8880  234.542  172.371  266.166  346.363  224.132  198.727   29.936   12.356   26.601   9.8086 3.335150 15.77591 
1 1 1   16   35  -13 o   13.860   4.7019 -139.0648   97.473 -93.5604  112.359 -277.4808  195.963   12.866   6.0267   14.854   7.2188 -1.987425 9.403808 
1 1 1   16   36  -13 o   50.871   7.1279  986.113  180.846  780.264  341.917  1066.07  213.093   43.522   12.770   58.220   6.3374 -14.69807 14.25576 
1 1 1   16   37  -13 f   36.030   7.7382  512.429  169.679  529.456  198.413  466.083  327.355   38.542   9.0655   33.519   12.543 5.022831 15.47640 
1 1 1   16   38  -13 o   23.261   7.1241   97.089  166.126  191.210  291.275   51.711  202.246   25.908   11.048   20.614   8.9980 5.294107 14.24819 
1 1 1   16   39  -13 o   15.256   5.0307 -95.9799  111.244 -203.1073  173.757 -21.5673  144.815   14.296   6.9120   16.215   7.3115 -1.919304 10.06148 
1 1 1   16    0  -14 o  248.801   2.3840 17890.38  342.497 17890.38  342.497   0.0000   0.0000  248.801   2.3840  248.801   2.3840 -0.000000 0.000000 
1 1 1   16    1  -14 o   57.869   4.6928  974.697  156.486  1067.37  224.757  887.510  218.007   60.553   6.4268   55.186   6.8400 5.366219 9.385580 
1 1 1   16    2  -14 o   21.065   6.6311 -106.4307  163.373  -2.9189  246.258 -187.8046  218.342   23.697   10.133   18.434   8.5567 5.262857 13.26222 
1 1 1   16    3  -14 o  189.498   2.1197 10541.99  201.183 10077.65  396.812 10702.64  233.405  186.563   3.6828  192.433   2.1001 -5.870209 4.239488 
1 1 1   16    4  -14 o   54.021   7.5692  885.359  225.999  855.052  298.775  925.891  345.518   53.046   10.122   54.996   11.257 -1.950584 15.13839 
1 1 1   16    5  -14 o  109.442   3.4707  3559.61  170.305  3611.28  189.391  3341.29  389.272  111.734   2.9349  107.150   6.2903 4.583534 6.941316 
1 1 1   16    6  -14 o  133.515   3.0874  5211.59  219.145  5283.18  263.792  5052.12  393.687  135.108   3.3806  131.921   5.1671 3.186111 6.174781 
1 1 1   16    7  -14 o  114.970   2.2511  3819.56  148.296  3784.27  197.268  3865.40  224.880  114.374   2.9864  115.566   3.3693 -1.191597 4.502260 
1 1 1   16    8  -14 o  108.903   3.7735  3556.60  213.212  3715.36  254.503  3182.90  390.473  113.257   3.8908  104.549   6.4667 8.707718 7.547001 
1 1 1   16    9  -14 o   32.645   9.6260  318.750  193.866   0.0000   0.0000  318.750  193.866  ?   ?    32.645   9.6260      ?      ? 
1 1 1   16   10  -14 o  117.182   3.0183  4033.79  198.021  4218.70  254.201  3748.40  315.807  120.703   3.6465  113.661   4.8109 7.041557 6.036654 
1 1 1   16   11  -14 o  166.118   2.3009  7977.58  220.754  7977.58  220.754   0.0000   0.0000  166.118   2.3009  ?   ?       ?      ? 
1 1 1   16   12  -14 o  201.369   2.2592 11687.70  254.307 11548.90  320.613 11923.18  417.600  199.817   2.7782  202.921   3.5633 -3.103867 4.518318 
1 1 1   16   13  -14 o   80.078   5.1872  1826.05  224.573  2009.46  402.782  1743.32  270.524   82.771   8.4257   77.385   6.0529 5.386093 10.37444 
1 1 1   16   14  -14 o   14.498   5.1098 -561.6671  162.292 -515.8941  204.318 -639.9147  267.139   13.408   6.6745   15.589   7.7388 -2.181098 10.21953 
1 1 1   16   15  -14 o  119.748   2.9840  4149.70  206.372  4149.70  206.372   0.0000   0.0000  119.748   2.9840  ?   ?       ?      ? 
1 1 1   16   16  -14 o   92.340   4.6092  2475.37  245.813   0.0000   0.0000  2475.37  245.813  ?   ?    92.340   4.6092      ?      ? 
1 1 1   16   17  -14 o   59.282   7.3440  1052.57  226.399  1084.61  408.663  1038.38  271.945   59.089   12.372   59.474   7.9171 -0.3849144 14.68805 
1 1 1   16   18  -14 o  112.283   3.9107  3697.85  245.180  3777.30  311.345  3568.13  397.807  114.011   4.7283  110.555   6.2303 3.456398 7.821360 
1 1 1   16   19  -14 o   80.034   4.4975  1857.57  199.667  1925.46  334.970  1820.15  248.674   81.030   7.1577   79.037   5.4477 1.992432 8.995032 
1 1 1   16   20  -14 o   31.847   7.9167  283.504  160.874  321.962  177.061  101.548  385.135   32.479   9.0839   31.216   12.968 1.262611 15.83342 
1 1 1   16   21  -14 o   68.386   3.7294  1354.16  146.324  1446.66  222.617  1283.81  194.158   70.401   5.4751   66.371   5.0651 4.029755 7.458738 
1 1 1   16   22  -14 o   57.823   5.4858  1027.09  172.572  1260.21  237.982  768.559  250.616   65.548   6.2864   50.098   8.9922 15.45038 10.97166 
1 1 1   16   23  -14 f   47.162   6.6852  656.137  166.243  790.216  297.194  595.078  200.554   50.228   10.579   44.096   8.1760 6.131756 13.37036 
1 1 1   16   24  -14 o  103.682   3.4847  3123.33  208.670   0.0000   0.0000  3123.33  208.670  ?   ?   103.682   3.4847      ?      ? 
1 1 1   16   25  -14 o  137.501   2.7104  5459.53  189.929  5407.73  221.096  5605.40  371.015  136.536   2.8038  138.467   4.6394 -1.930862 5.420808 
1 1 1   16   26  -14 o   16.798   5.8958 -502.1775  185.457 -412.8668  214.489 -766.7222  369.151   14.838   7.2832   18.757   9.2735 -3.919803 11.79165 
1 1 1   16   27  -14 o   57.782   4.3587  991.094  145.153  1082.62  209.048  905.887  201.703   60.400   5.9927   55.165   6.3309 5.235596 8.717401 
1 1 1   16   28  -14 o   38.561   7.9221  434.759  170.169  651.774  332.815  357.943  198.008   43.759   12.530   33.363   9.6974 10.39643 15.84422 
1 1 1   16   29  -14 o   30.887   7.8597  245.051  172.471  150.546  210.000  440.904  302.312   25.388   9.9090   36.386   12.203 -10.99859 15.71946 
1 1 1   16   30  -14 o   16.965   5.6588 -185.8707  143.693 -281.0654  229.609 -124.5868  184.228   16.919   8.1204   17.011   7.8833 -0.9192657E-01 11.31761 
1 1 1   16   31  -14 o   13.512   4.6905 -325.9884  125.991 -276.7210  169.395 -386.9875  188.487   13.623   6.6408   13.402   6.6259 0.2206373 9.380953 
1 1 1   16   32  -14 o   59.640   5.9838  1225.53  181.811  1399.30  228.394  924.936  300.392   67.724   5.8392   51.556   10.446 16.16869 11.96760 
1 1 1   16   33  -14 o   24.918   7.2712   2.7950  147.563  422.525  322.776 -108.1096  165.917   33.831   12.496   16.005   7.4392 17.82558 14.54237 
1 1 1   16   34  -14 o   34.035   7.3956  449.569  168.841  240.230  307.828  539.646  201.925   28.567   11.703   39.503   9.0455 -10.93617 14.79120 
1 1 1   16   35  -14 o   21.082   8.9168   70.702  187.130   0.0000   0.0000   70.702  187.130  ?   ?    21.082   8.9168      ?      ? 
1 1 1   16   36  -14 o   39.536   7.5583  522.898  166.296   0.0000   0.0000  522.898  166.296  ?   ?    39.536   7.5583      ?      ? 
1 1 1   16   37  -14 o   22.581   6.9441   70.106  143.836  195.836  301.986   33.213  163.583   26.371   11.247   18.790   8.1481 7.580803 13.88830 
1 1 1   16   38  -14 o   30.307   7.7734  366.607  165.555  351.277  345.202  371.186  188.668   29.430   12.256   31.184   9.5648 -1.754211 15.54677 
1 1 1   16    0  -15 o   59.105   7.1564  1093.46  191.851  1085.82  223.836  1114.62  372.425   60.118   6.6552   58.092   12.671 -0.000000 0.000000 
1 1 1   16    1  -15 o  162.935   1.7156  7680.54  159.957  7715.03  212.558  7635.52  242.892  163.370   2.2528  162.500   2.5881 0.8701630 3.431202 
1 1 1   16    2  -15 o   67.600   3.7836  1361.81  134.755  1240.44  241.700  1416.55  162.324   65.274   6.4114   69.926   4.0194 -4.652580 7.567131 
1 1 1   16    3  -15 o  ?   ?  -1498.3199  206.330 -1493.3070  246.555 -1510.0380  376.908  ?   ?   ?   ?       ?      ? 
1 1 1   16    4  -15 f  179.401   2.9136  9309.92  301.888  9309.92  301.888   0.0000   0.0000  179.401   2.9136  ?   ?       ?      ? 
1 1 1   16    5  -15 o  108.086   2.7946  3384.02  174.445  3359.79  245.286  3408.81  248.144  107.696   3.9436  108.477   3.9608 -0.7813339 5.589236 
1 1 1   16    6  -15 o   31.695   7.4355  279.486  167.136  118.116  260.535  392.339  217.877   27.413   10.932   35.977   10.082 -8.564043 14.87101 
1 1 1   16    7  -15 o   94.030   2.9885  2581.89  149.105  2612.33  179.126  2513.20  269.062   95.008   3.2645   93.051   5.0067 1.957535 5.976901 
1 1 1   16    8  -15 o   15.702   5.4243 -431.6917  151.787 -243.5954  242.899 -552.2015  194.422   18.864   8.8441   12.540   6.2829 6.324845 10.84859 
1 1 1   16    9  -15 o   19.777   6.7003 -317.6728  189.291 -276.1595  220.108 -435.5719  370.935   17.113   8.1412   22.441   10.644 -5.327272 13.40066 
1 1 1   16   10  -15 o   52.386   7.9708  866.428  222.067  724.307  398.655  930.367  267.395   48.421   13.661   56.352   8.2160 -7.930840 15.94165 
1 1 1   16   11  -15 o  141.953   2.6422  5827.93  216.620   0.0000   0.0000  5827.93  216.620  ?   ?   141.953   2.6422      ?      ? 
1 1 1   16   12  -15 o   40.393   8.7824  476.429  214.974  451.199  262.054  528.345  375.914   38.544   11.142   42.242   13.578 -3.698112 17.56481 
1 1 1   16   13  -15 o  113.365   2.6227  3717.15  171.446  4025.51  247.519  3432.77  237.701  117.884   3.6355  108.846   3.7812 9.038185 5.245442 
1 1 1   16   14  -15 o   96.102   3.2383  2686.33  179.353  2535.01  256.772  2830.49  250.625   93.434   4.7583   98.770   4.3935 -5.335579 6.476510 
1 1 1   16   15  -15 o  185.551   2.4250  9855.26  217.919 10188.17  460.266  9759.06  247.406  187.396   4.2527  183.705   2.3319 3.690216 4.850053 
1 1 1   16   16  -15 o   49.609   7.9654  703.144  196.944  883.821  406.953  647.887  225.055   53.054   13.305   46.164   8.7616 6.890026 15.93086 
1 1 1   16   17  -15 o  135.124   3.2492  5284.29  237.919  5245.71  289.602  5364.40  417.289  134.509   3.7279  135.740   5.3228 -1.230804 6.498454 
1 1 1   16   18  -15 o   37.235   7.8024  421.041  179.096  444.055  266.946  402.203  241.518   38.125   11.310   36.345   10.752 1.780010 15.60470 
1 1 1   16   19  -15 o   76.739   4.4064  1718.66  184.979  1710.03  227.510  1735.48  317.736   76.614   5.1417   76.865   7.1574 -0.2515030 8.812782 
1 1 1   16   20  -15 o   12.751   6.4711 -864.6995  147.670 -843.5902  184.143 -902.7356  247.181  ?   ?    12.751   6.4711      ?      ? 
1 1 1   16   21  -15 o   27.785   7.1326  151.698  156.285   9.2543  207.462  338.596  237.641   21.888   9.3282   33.681   10.793 -11.79320 14.26529 
1 1 1   16   22  -15 o  120.747   3.5504  4234.13  247.597  4234.13  247.597   0.0000   0.0000  120.747   3.5504  ?   ?       ?      ? 
1 1 1   16   23  -15 o   43.757   7.2053  518.816  158.660  431.642  181.148  805.992  328.786   37.267   8.5922   50.248   11.569 -12.98080 14.41054 
1 1 1   16   24  -15 o   34.434   6.2706  366.870  127.079  280.095  174.342  465.237  185.622   30.237   9.1786   38.632   8.5460 -8.394855 12.54119 
1 1 1   16   25  -15 o   91.063   2.5230  2414.09  129.711  2411.38  166.717  2418.25  206.472   91.079   3.1694   91.048   3.9265 0.3091431E-01 5.046042 
1 1 1   16   26  -15 o   37.859   5.6541  460.440  121.069  326.289  182.671  565.530  161.680   32.145   9.3058   43.574   6.4246 -11.42864 11.30812 
1 1 1   16   27  -15 f   48.670   7.3670  818.314  188.880  616.320  343.979  905.508  225.999   42.568   12.886   54.773   7.1442 -12.20567 14.73407 
1 1 1   16   28  -15 o   89.461   3.6013  2316.33  160.452  2262.04  184.125  2487.70  327.102   87.910   3.6265   91.011   6.2231 -3.101021 7.202634 
1 1 1   16   29  -15 o   46.278   6.4065  658.919  157.028  826.565  277.990  580.361  190.295   49.918   9.9912   42.638   8.0220 7.279331 12.81308 
1 1 1   16   30  -15 o   13.941   4.8734 -365.8362  135.837 -528.9894  240.688 -289.5819  164.546   14.704   7.3074   13.178   6.4499 1.526305 9.746762 
1 1 1   16   31  -15 o   61.936   5.0966  1171.34  168.325  1124.77  201.281  1279.65  306.982   60.820   5.7303   63.051   8.4301 -2.231915 10.19325 
1 1 1   16   32  -15 o   20.372   6.4685 -105.1833  104.774 -155.7684  111.932  252.792  297.762   11.616   5.5992   29.128   11.663 -17.51228 12.93706 
1 1 1   16   33  -15 o   15.432   7.6047 -425.9743  241.405 -425.9743  241.405   0.0000   0.0000   15.432   7.6047  ?   ?       ?      ? 
1 1 1   16   34  -15 o   16.961   5.8846 -296.8988  162.223 -328.2224  324.746 -286.4834  187.262   19.657   9.4908   14.264   6.9598 5.393227 11.76923 
1 1 1   16   35  -15 o   54.715   6.6754  935.827  166.300  1260.59  378.484  858.129  185.127   57.115   11.862   52.316   6.1271 4.799522 13.35075 
1 1 1   16   36  -15 o   29.955   6.4452  346.324  126.728  189.116  240.180  406.977  149.185   25.355   10.356   34.555   7.6750 -9.199907 12.89041 
1 1 1   16   37  -15 o   19.021   5.7447   36.810  111.079 -23.0001  143.739  125.481  175.017   16.255   7.3109   21.787   8.8632 -5.532135 11.48934 
1 1 1   16    0  -16 o   38.008   9.0824  574.674  183.533  649.605  228.894  439.756  307.140   44.051   10.356   31.965   14.924 -0.000000 0.000000 
1 1 1   16    1  -16 o   43.424   7.3171  500.415  152.328  726.873  345.087  445.611  169.762   48.500   12.301   38.348   7.9269 10.15171 14.63411 
1 1 1   16    2  -16 o  100.638   2.2331  2963.01  126.082  2787.89  200.791  3077.00  162.003   98.129   3.5429  103.146   2.7195 -5.017578 4.466295 
1 1 1   16    3  -16 o   22.378   7.2968 -164.0332  187.237 -212.5079  381.419 -148.6433  214.913   25.813   11.730   18.943   8.6825 6.870577 14.59362 
1 1 1   16    4  -16 o   96.764   3.1503  2711.19  175.873  2797.17  255.884  2634.22  242.130   98.211   4.5113   95.317   4.3984 2.893570 6.300580 
1 1 1   16    5  -16 o  127.879   3.7967  4763.69  276.629  4831.21  364.100  4671.49  425.452  129.021   4.8863  126.738   5.8124 2.282440 7.593406 
1 1 1   16    6  -16 o   50.702   7.2957  750.062  202.506  976.938  330.356  613.495  256.307   56.659   10.482   44.745   10.151 11.91404 14.59140 
1 1 1   16    7  -16 o   77.046   3.3263  1680.46  143.884  1556.02  180.495  1897.38  238.311   73.262   4.2658   80.831   5.1048 -7.569466 6.652543 
1 1 1   16    8  -16 o   62.960   4.5759  1182.36  156.008  1239.61  192.719  1073.51  265.725   65.331   5.1076   60.588   7.5938 4.743423 9.151726 
1 1 1   16    9  -16 o  109.048   3.0518  3441.15  192.201  3441.15  192.201   0.0000   0.0000  109.048   3.0518  ?   ?       ?      ? 
1 1 1   16   10  -16 o   95.331   2.6185  2649.47  143.243  2405.35  207.880  2870.17  197.658   91.102   3.9509   99.560   3.4375 -8.457481 5.237002 
1 1 1   16   11  -16 o   76.046   5.1892  1592.15  208.479  1940.09  398.041  1460.62  244.732   81.274   8.4799   70.819   5.9835 10.45460 10.37843 
1 1 1   16   12  -16 o   55.357   6.6132  1054.25  174.290  655.459  322.445  1218.86  207.162   45.991   12.009   64.724   5.5419 -18.73283 13.22644 
1 1 1   16   13  -16 o   52.020   6.2972  833.991  179.708  635.896  264.135  1004.71  245.209   45.448   10.301   58.592   7.2463 -13.14366 12.59431 
1 1 1   16   14  -16 o   68.882   5.1556  1335.01  180.587  1277.88  208.450  1506.90  361.554   66.258   5.4472   71.505   8.7549 -5.246208 10.31123 
1 1 1   16   15  -16 o  167.491   2.5370  8071.99  195.028  8034.33  217.367  8227.50  441.670  166.680   2.2580  168.302   4.5439 -1.621750 5.073974 
1 1 1   16   16  -16 o  166.586   2.7834  8033.46  246.104  8006.43  294.589  8095.92  447.771  166.275   3.0676  166.897   4.6454 -0.6220703 5.566858 
1 1 1   16   17  -16 o   99.669   2.8223  2885.34  157.368  2875.41  256.391  2891.35  199.332   99.468   4.4631   99.871   3.4558 -0.4030151 5.644625 
1 1 1   16   18  -16 f   31.452   7.4144  275.994  155.208  241.065  199.213  329.943  247.583   29.288   9.9055   33.617   11.035 -4.328894 14.82887 
1 1 1   16   19  -16 o  100.298   3.9840  2939.05  203.010  2941.29  395.707  2938.25  236.506  100.040   6.8488  100.557   4.0724 -0.5163345 7.968070 
1 1 1   16   20  -16 o   76.154   5.0138  1764.82  171.427  1619.97  387.124  1800.15  191.194   73.643   9.1019   78.666   4.2083 -5.022636 10.02768 
1 1 1   16   21  -16 o  100.065   3.1306  2836.44  146.809  3058.71  327.407  2780.50  164.246  102.195   5.5472   97.936   2.9038 4.259689 6.261258 
1 1 1   16   22  -16 o   35.424   7.9554  380.715  176.279  381.877  306.781  380.142  215.387   35.920   12.292   34.927   10.103 0.9922409 15.91082 
1 1 1   16   23  -16 o   86.259   4.1233  2179.51  183.295  2164.94  215.068  2218.20  350.400   86.114   4.3243   86.403   7.0218 -0.2887955 8.246515 
1 1 1   16   24  -16 o   43.724   6.0085  559.666  140.471  731.702  244.055  474.439  171.777   48.351   9.0730   39.097   7.8797 9.253906 12.01700 
1 1 1   16   25  -16 o   65.805   3.3049  1246.34  122.237  1168.87  153.950  1378.50  201.075   63.193   4.2182   68.417   5.0887 -5.224194 6.609713 
1 1 1   16   26  -16 o   87.029   2.8524  2249.42  132.456  2302.55  160.446  2135.72  234.714   88.912   3.1245   85.146   4.7730 3.766357 5.704748 
1 1 1   16   27  -16 o   30.977   6.5798  305.044  128.764  241.220  179.234  373.120  185.107   28.053   9.3961   33.902   9.2133 -5.848141 13.15950 
1 1 1   16   28  -16 o   20.246   5.6832   77.403  100.385  116.261  140.656   37.062  143.313   21.664   8.1975   18.827   7.8737 2.836660 11.36634 
1 1 1   16   29  -16 o   29.003   5.7304  270.112  106.950  139.707  152.046  397.821  150.467   22.864   8.5500   35.142   7.6321 -12.27887 11.46085 
1 1 1   16   30  -16 o   27.582   6.9735  226.390  144.631  130.602  198.208  335.475  211.518   23.780   9.5174   31.383   10.195 -7.602907 13.94694 
1 1 1   16   31  -16 o   41.942   4.2861  540.221  103.510  598.609  149.357  486.260  143.583   44.208   5.8498   39.677   6.2659 4.530746 8.572134 
1 1 1   16   32  -16 o   30.725   5.5773  361.413  107.204  447.876  124.340  110.957  211.622   38.224   5.6323   23.227   9.6282 14.99746 11.15457 
1 1 1   16   33  -16 o   23.783   5.7582  184.085   84.626  201.015   91.899   89.641  217.055   24.895   6.3665   22.670   9.5967 2.224682 11.51645 
1 1 1   16   34  -16 o   42.137   7.1122  660.966  151.604  594.617  328.258  678.956  170.925   37.850   12.716   46.423   6.3751 -8.572655 14.22435 
1 1 1   16   35  -16 o   39.441   7.1321  613.169  152.188  480.465  333.361  648.108  171.053   33.834   12.659   45.047   6.5747 -11.21311 14.26417 
1 1 1   16   36  -16 o   19.978   6.7817 -267.7613  158.757  222.867  367.532 -380.3042  176.026   27.529   12.070   12.426   6.1872 15.10381 13.56348 
1 1 1   16   37  -16 o   16.974   5.7389 -142.3077  137.473 -85.5508  262.899 -163.6678  161.280   19.700   9.2247   14.248   6.8297 5.451832 11.47782 
1 1 1   16    0  -17 o   15.332   7.4328 -161.0927  198.051 -98.1061  236.110 -310.6102  363.778   14.581   9.8110   16.084   11.168 -0.000000 0.000000 
1 1 1   16    1  -17 o   73.971   3.0402  1579.64  129.202  1523.74  172.826  1650.45  194.533   72.506   4.1272   75.436   4.4651 -2.930756 6.080307 
1 1 1   16    2  -17 f   85.000   2.7584  2090.45  134.615  2119.22  202.261  2067.58  180.363   85.509   4.0956   84.490   3.6962 1.019562 5.516859 
1 1 1   16    3  -17 f   66.153   4.4083  1329.32  158.913  1085.55  258.190  1477.99  201.629   60.952   7.3344   71.353   4.8927 -10.40155 8.816630 
1 1 1   16    4  -17 o  ?   ?  -1437.8990  242.527 -1398.3500  335.370 -1481.2570  351.142  ?   ?   ?   ?       ?      ? 
1 1 1   16    5  -17 o   21.748   6.7358 -73.8449  168.462   57.102  215.563 -279.2958  270.011   23.767   9.7715   19.730   9.2737 4.037306 13.47157 
1 1 1   16    6  -17 o  162.047   1.9977  7589.92  186.693  7475.99  256.359  7718.58  272.418  160.760   2.7611  163.335   2.8878 -2.574142 3.995421 
1 1 1   16    7  -17 o   88.596   4.0759  2319.66  193.395  2187.03  340.094  2383.05  235.108   86.562   6.8028   90.630   4.4917 -4.068329 8.151876 
1 1 1   16    8  -17 f   95.925   3.9247  2788.28  180.454  2474.90  371.283  2885.20  206.483   92.045   6.9843   99.804   3.5822 -7.759453 7.849337 
1 1 1   16    9  -17 o  101.792   2.3798  2999.95  139.869  3099.80  199.057  2902.58  196.575  103.467   3.3311  100.116   3.3997 3.351158 4.759640 
1 1 1   16   10  -17 o   37.934   7.4845  442.491  172.544  347.920  252.763  525.015  236.114   34.548   11.137   41.320   10.002 -6.771862 14.96898 
1 1 1   16   11  -17 o   67.319   3.7987  1296.83  143.707  1410.33  235.885  1229.84  181.220   69.574   5.8704   65.063   4.8226 4.510323 7.597359 
1 1 1   16   12  -17 o  108.052   3.0551  3393.57  190.209  3127.40  268.927  3660.02  269.066  103.785   4.4866  112.319   4.1478 -8.534683 6.110126 
1 1 1   16   13  -17 o   44.902   6.5473  653.956  159.818  769.631  200.657  453.256  264.307   51.293   6.7735   38.511   11.207 12.78141 13.09465 
1 1 1   16   14  -17 o   36.447   7.7363  395.713  173.655  359.412  225.509  448.601  272.196   34.534   10.429   38.359   11.430 -3.825710 15.47267 
1 1 1   16   15  -17 o   45.073   5.9087  668.327  134.078  752.339  161.077  478.798  241.935   50.800   5.4901   39.346   10.465 11.45388 11.81742 
1 1 1   16   16  -17 o  171.432   2.1112  8513.68  208.963  8454.16  298.709  8570.72  292.428  170.838   3.0275  172.027   2.9433 -1.188263 4.222401 
1 1 1   16   17  -17 o   41.910   6.1740  512.982  140.987  663.731  234.645  427.809  176.375   46.513   9.0606   37.308   8.3892 9.204395 12.34803 
1 1 1   16   18  -17 o   43.065   7.8524  526.346  165.917  676.356  375.797  490.024  184.916   46.171   13.342   39.960   8.2845 6.211060 15.70480 
1 1 1   16   19  -17 o  122.353   2.2498  4441.37  151.242  4697.13  190.099  4000.30  249.646  127.353   2.5845  117.353   3.6834 10.00018 4.499666 
1 1 1   16   20  -17 o  130.004   2.7234  4915.25  200.127  4915.33  317.346  4915.20  257.868  129.910   4.2296  130.098   3.4320 -0.1875610 5.446857 
1 1 1   16   21  -17 o   64.428   5.3412  1217.04  198.746   0.0000   0.0000  1217.04  198.746  ?   ?    64.428   5.3412      ?      ? 
1 1 1   16   22  -17 o   96.848   3.6213  2756.35  196.168  2771.45  248.757  2731.51  319.015   97.392   4.4225   96.305   5.7356 1.087379 7.242614 
1 1 1   16   23  -17 o   51.210   5.3393  772.090  157.916   0.0000   0.0000  772.090  157.916  ?   ?    51.210   5.3393      ?      ? 
1 1 1   16   24  -17 o   39.623   6.4383  509.175  143.686  566.344  189.372  431.605  220.588   42.635   7.9841   36.611   10.103 6.024681 12.87668 
1 1 1   16   25  -17 o   19.174   9.3549 -701.1950  131.057 -543.2427  338.125 -729.1198  142.171   19.174   9.3549  ?   ?       ?      ? 
1 1 1   16   26  -17 o   29.209   6.2501  270.269  115.311  228.993  163.141  311.478  163.008   27.282   8.9579   31.137   8.7186 -3.854641 12.50029 
1 1 1   16   27  -17 o   26.386   6.7841  200.521  133.620  183.504  200.320  214.161  179.349   26.041   9.7990   26.730   9.3847 -0.6890736 13.56811 
1 1 1   16   28  -17 o   30.203   6.5365  317.839  136.857   91.865  242.656  423.249  165.730   24.359   10.220   36.047   8.1518 -11.68740 13.07294 
1 1 1   16   29  -17 o   79.939   2.6637  1880.55  122.584  1815.17  165.739  1959.52  182.140   78.460   3.6576   81.418   3.8735 -2.957924 5.327428 
1 1 1   16   30  -17 o   55.288   4.1293  911.753  123.938  1007.77  219.856  867.027  150.054   56.876   6.6930   53.700   4.8382 3.176083 8.258622 
1 1 1   16   31  -17 o   12.997   6.5141 -771.9350  151.864 -532.4711  209.640 -1036.3510  220.291   12.997   6.5141  ?   ?       ?      ? 
1 1 1   16   32  -17 o   22.923   5.9718  148.287   91.795  141.499  104.007  172.205  195.244   21.305   7.1576   24.542   9.5613 -3.236559 11.94355 
1 1 1   16   33  -17 o   28.793   6.7678  247.516   92.100  239.538   96.445  330.129  310.365   27.168   6.2734   30.418   11.994 -3.249790 13.53561 
1 1 1   16   34  -17 o   23.877   6.8322   90.604   96.279   58.646  101.781  362.435  296.847   16.941   6.8060   30.813   11.849 -13.87235 13.66433 
1 1 1   16   35  -17 o   26.326   7.5148  148.512  146.647  461.543  327.428   69.964  164.018   32.820   12.486   19.833   8.3660 12.98679 15.02957 
1 1 1   16   36  -17 o   15.652   5.2362 -170.1443  133.365 -479.4838  232.893 -19.2127  162.678   14.123   7.0456   17.182   7.7481 -3.059282 10.47249 
1 1 1   16    0  -18 o  114.627   3.0488  3806.48  201.517  3806.48  201.517   0.0000   0.0000  114.627   3.0488  114.627   3.0488 -0.000000 0.000000 
1 1 1   16    1  -18 o   93.376   2.9915  2473.49  153.325  2703.14  266.473  2359.83  187.467   96.491   4.7817   90.261   3.5962 6.229973 5.983057 
1 1 1   16    2  -18 o   16.527   5.8441 -569.2468  183.028 -507.7674  210.808 -757.4944  368.881   13.841   6.8717   19.213   9.4549 -5.372269 11.68821 
1 1 1   16    3  -18 o   54.233   4.7718  802.490  138.413  1009.31  259.740  720.465  163.574   58.710   7.6603   49.757   5.6921 8.952793 9.543585 
1 1 1   16    4  -18 o   53.217   7.5451  1012.75  172.126  609.586  407.941  1100.07  189.854   44.924   14.112   61.509   5.3444 -16.58471 15.09010 
1 1 1   16    5  -18 o   72.059   4.2609  1494.79  175.873  1651.64  270.601  1380.07  231.415   75.271   6.2247   68.846   5.8201 6.425148 8.521702 
1 1 1   16    6  -18 o   67.462   3.9221  1333.44  142.024  1299.18  250.933  1349.60  172.272   66.723   6.5118   68.201   4.3736 -1.478378 7.844193 
1 1 1   16    7  -18 o   17.607   5.9866 -357.9267  175.755 -366.8094  269.211 -351.3284  232.023   18.487   8.8517   16.727   8.0626 1.760008 11.97321 
1 1 1   16    8  -18 o   30.906   8.0169  223.216  163.259  214.599  184.695  254.006  349.141   27.971   9.5374   33.841   12.889 -5.870159 16.03378 
1 1 1   16    9  -18 o   45.787   6.7961  612.932  179.718  612.932  179.718   0.0000   0.0000   45.787   6.7961  ?   ?       ?      ? 
1 1 1   16   10  -18 o  109.106   4.6086  3457.90  290.401   0.0000   0.0000  3457.90  290.401  ?   ?   109.106   4.6086      ?      ? 
1 1 1   16   11  -18 f   58.782   4.2062  1026.70  138.395  923.711  218.422  1095.78  178.886   56.190   6.7306   61.374   5.0467 -5.184574 8.412461 
1 1 1   16   12  -18 o   17.808   6.2466 -477.8071  164.179 -299.3306  357.263 -525.5891  184.855   23.416   10.895   12.200   6.1149 11.21543 12.49329 
1 1 1   16   13  -18 o  135.479   2.4745  5347.60  191.071  5498.25  252.698  5146.49  291.965  137.764   3.1760  133.193   3.7954 4.571075 4.948979 
1 1 1   16   14  -18 o   22.949   7.1958 -75.6460  189.084 -148.3250  293.623 -24.1523  247.151   22.821   10.339   23.076   10.011 -0.2551727 14.39165 
1 1 1   16   15  -18 o  125.939   2.4055  4533.07  171.704  4933.19  274.915  4277.16  219.861  130.390   3.6506  121.488   3.1335 8.902397 4.811017 
1 1 1   16   16  -18 o   15.205   7.4814 -472.1644  230.674 -472.1644  230.674   0.0000   0.0000   15.205   7.4814  ?   ?       ?      ? 
1 1 1   16   17  -18 o  159.678   2.4035  7298.77  192.790  7601.77  386.592  7198.47  222.420  161.667   4.1404  157.688   2.4423 3.979172 4.807053 
1 1 1   16   18  -18 o  109.136   2.5059  3406.21  152.142  3270.17  189.349  3654.03  255.569  106.184   3.0876  112.088   3.9479 -5.904297 5.011879 
1 1 1   16   19  -18 o   22.187   6.9804 -67.4746  178.110 -455.2054  359.533   58.626  205.037   21.356   10.226   23.017   9.5041 -1.661297 13.96087 
1 1 1   16   20  -18 o   13.514   4.7236 -464.8564  135.215 -242.0282  191.188 -687.8484  191.258   15.760   7.5223   11.267   5.7152 4.493032 9.447140 
1 1 1   16   21  -18 o   80.712   4.4343  1995.73  192.540  1723.68  326.191  2141.21  238.525   75.942   7.4371   85.481   4.8315 -9.538651 8.868674 
1 1 1   16   22  -18 o   76.274   3.6394  1698.17  159.051  1816.46  243.636  1610.31  209.965   78.507   5.3734   74.042   4.9101 4.465675 7.278848 
1 1 1   16   23  -18 o   22.622   6.6572   40.980  147.111 -45.7299  204.904  133.219  211.337   20.059   8.8941   25.185   9.9079 -5.125910 13.31439 
1 1 1   16   24  -18 o   22.513   6.0982  117.745  110.230   91.255  174.530  135.324  142.175   22.295   8.9281   22.731   8.3093 -0.4356384 12.19649 
1 1 1   16   25  -18 o   20.267   6.3397 -33.3990  145.785 -54.1922  196.992  -8.2223  216.765   19.268   8.6203   21.267   9.2983 -1.999479 12.67942 
1 1 1   16   26  -18 o   46.936   6.2305  635.185  146.203  559.194  167.821  874.462  297.794   42.815   6.7868   51.058   10.451 -8.242516 12.46107 
1 1 1   16   27  -18 o   55.263   5.2517  1030.22  145.743  1185.50  181.452  747.922  244.659   62.983   4.9883   47.543   9.2432 15.44081 10.50332 
1 1 1   16   28  -18 o   28.526   7.6088  246.719  168.421  258.142  268.355  239.296  216.331   29.233   11.259   27.819   10.237 1.413416 15.21754 
1 1 1   16   29  -18 o   58.052   3.8616  1018.69  128.787  972.383  172.064  1077.68  194.204   56.666   5.2575   59.438   5.6573 -2.771828 7.723131 
1 1 1   16   30  -18 o   25.181   7.0971  155.744  125.436  143.181  137.575  217.659  305.414   22.202   8.1650   28.161   11.611 -5.958359 14.19417 
1 1 1   16   31  -18 o   42.376   3.9063  556.722   92.692  578.061  119.169  524.037  147.484   43.754   4.7159   40.998   6.2287 2.755714 7.812566 
1 1 1   16   32  -18 o   35.771   5.3764  368.081   95.870  304.205  109.621  575.856  197.707   30.642   6.4008   40.901   8.6403 -10.25961 10.75288 
1 1 1   16   33  -18 o   22.130   6.8692   9.9191  136.126 -49.6122  152.132  249.006  304.878   16.252   7.3938   28.009   11.579 -11.75678 13.73839 
1 1 1   16   34  -18 o   17.985   6.0623 -83.2812  101.821 -101.4092  108.075   59.914  303.747   12.248   5.7907   23.723   10.652 -11.47441 12.12451 
1 1 1   16   35  -18 o   17.008   5.4520  -1.0407   94.043   7.6946  104.033 -40.0833  219.939   14.897   6.4789   19.119   8.7705 -4.221217 10.90406 
1 1 1   16    0  -19 o   86.858   4.3637  2200.39  217.642  2200.39  217.642   0.0000   0.0000   86.858   4.3637   86.858   4.3637 -0.000000 0.000000 
1 1 1   16    1  -19 o   72.612   3.2712  1534.15  136.216  1558.64  182.966  1503.70  204.029   73.289   4.3226   71.935   4.9110 1.353996 6.542377 
1 1 1   16    2  -19 o   79.486   4.9942  1717.54  191.509  2093.56  421.480  1619.71  214.982   84.321   8.6547   74.650   4.9864 9.671646 9.988441 
1 1 1   16    3  -19 o  115.259   2.9863  3863.16  168.368  3871.02  192.550  3837.63  347.016  115.653   2.8827  114.865   5.2309 0.7886200 5.972644 
1 1 1   16    4  -19 o  116.815   4.4656  3981.69  301.232  3890.74  422.651  4075.59  429.442  115.455   6.3385  118.175   6.2921 -2.719894 8.931208 
1 1 1   16    5  -19 o   45.247   5.6611  617.590  142.875  662.946  192.503  561.964  213.188   47.597   7.0028   42.897   8.8967 4.699715 11.32216 
1 1 1   16    6  -19 o  113.001   3.1650  3787.01  187.137  3517.86  341.504  3902.52  223.717  109.932   5.3788  116.071   3.3373 -6.139374 6.330022 
1 1 1   16    7  -19 o   21.662   7.0815 -383.1042  169.257  103.059  365.003 -516.2801  191.038   30.684   12.676   12.640   6.3175 18.04404 14.16307 
1 1 1   16    8  -19 o   29.891   6.6395  236.128  131.669  127.901  171.602  391.059  205.317   24.065   9.0667   35.717   9.7018 -11.65197 13.27893 
1 1 1   16    9  -19 o   15.450   7.8016 -1107.0790  173.611 -1081.7310  332.039 -1116.6169  203.668   15.450   7.8016  ?   ?       ?      ? 
1 1 1   16   10  -19 o   46.571   7.0496  671.476  183.257  638.387  272.158  698.923  247.871   45.360   10.582   47.782   9.3167 -2.422314 14.09927 
1 1 1   16   11  -19 o  127.932   2.4436  4648.13  171.553  4448.18  209.819  5051.36  297.965  123.937   2.9313  131.928   3.9106 -7.990868 4.887264 
1 1 1   16   12  -19 o   76.924   3.5424  1695.01  146.055  1800.46  264.269  1648.63  175.253   78.501   5.8289   75.348   4.0273 3.153732 7.084819 
1 1 1   16   13  -19 o   22.096   7.0303 -197.0265  156.396  118.359  335.913 -284.3141  176.719   29.846   12.226   14.347   6.9448 15.49857 14.06061 
1 1 1   16   14  -19 o  143.889   2.3154  6032.74  191.064  6294.31  258.900  5719.92  283.134  147.372   3.0418  140.407   3.4916 6.965118 4.630726 
1 1 1   16   15  -19 o   16.043   5.3889 -238.6448  135.811 -173.5604  195.561 -299.2765  188.753   17.230   8.0312   14.856   7.1877 2.374514 10.77789 
1 1 1   16   16  -19 o  196.750   2.1803 11202.58  247.751 11202.58  247.751   0.0000   0.0000  196.750   2.1803  ?   ?       ?      ? 
1 1 1   16   17  -19 o   91.958   2.4459  2440.83  126.311  2522.29  205.561  2391.41  160.102   93.123   3.8221   90.793   3.0532 2.330292 4.891887 
1 1 1   16   18  -19 o   16.807   5.5263 -218.6963  127.576 -20.8820  206.931 -339.9831  162.033   20.969   9.1286   12.645   6.2311 8.324269 11.05254 
1 1 1   16   19  -19 o   52.095   4.5722  800.661  135.885  980.828  198.982  643.212  186.015   57.662   5.9750   46.528   6.9223 11.13459 9.144343 
1 1 1   16   20  -19 o   62.719   4.1605  1149.16  150.708   0.0000   0.0000  1149.16  150.708  ?   ?    62.719   4.1605      ?      ? 
1 1 1   16   21  -19 o   14.263   5.1589 -577.1558  145.794 -578.9832  314.809 -576.6567  164.499   17.986   8.8276   10.540   5.3415 7.445647 10.31784 
1 1 1   16   22  -19 o   26.272   8.8354  204.088  158.485   0.0000   0.0000  204.088  158.485  ?   ?    26.272   8.8354      ?      ? 
1 1 1   16   23  -19 o   21.263   6.7511 -49.7903  153.129 -55.4985  178.578 -33.9344  297.627   18.329   8.2034   24.197   10.724 -5.867733 13.50214 
1 1 1   16   24  -19 o   30.081   8.4372  223.292  220.701  137.773  330.440  292.166  296.541   28.526   11.945   31.637   11.919 -3.110626 16.87436 
1 1 1   16   25  -19 o   66.131   5.2049  1222.22  154.836  1569.09  374.952  1150.91  170.008   70.004   9.2740   62.257   4.7282 7.747196 10.40975 
1 1 1   16   26  -19 o   51.093   5.3783  855.854  139.260  738.258  245.413  911.703  169.127   47.103   9.3510   55.082   5.3164 -7.979263 10.75662 
1 1 1   16   27  -19 o   14.208   4.9326 -315.1595  131.251 -331.8297  218.147 -305.7011  164.320   15.513   7.5568   12.903   6.3418 2.610736 9.865240 
1 1 1   16   28  -19 o   22.533   6.1671  131.923  114.375  141.941  159.898  121.426  163.671   22.859   8.7184   22.207   8.7247 0.6518726 12.33419 
1 1 1   16   29  -19 o   29.334   6.7135  284.407  128.603  372.071  203.324  225.950  166.034   32.407   9.9276   26.260   9.0402 6.147799 13.42693 
1 1 1   16   30  -19 o   16.393   5.3485 -83.0903  115.050 -71.1801  183.497 -90.8053  147.685   17.562   8.0398   15.223   7.0559 2.339684 10.69691 
1 1 1   16   31  -19 o   15.701   5.1029 -81.9011  107.863 -19.6196  147.264 -153.9839  158.428   16.822   7.4948   14.579   6.9273 2.242475 10.20588 
1 1 1   16   32  -19 o   39.522   4.4601  462.227   96.758  398.195  116.947  601.172  172.271   35.797   5.6566   43.247   6.8972 -7.449661 8.920103 
1 1 1   16   33  -19 o   23.577   6.4220  165.928  112.869  159.382  130.697  185.132  223.858   22.310   7.9929   24.845   10.054 -2.534962 12.84396 
1 1 1   16   34  -19 o   62.193   6.0755  1402.78  191.546  1519.62  236.581  1180.43  326.356   69.100   5.9281   55.286   10.607 13.81424 12.15102 
1 1 1   16    0  -20 o   10.385   5.4357 -1099.8850  242.302 -1169.0699  322.730 -1010.5040  366.822   9.4740   7.0229   11.296   8.2985 -0.000000 0.000000 
1 1 1   16    1  -20 o   95.369   2.7838  2662.97  151.566  2441.88  226.424  2842.47  204.015   91.710   4.2748   99.028   3.5671 -7.317741 5.567648 
1 1 1   16    2  -20 o   91.852   3.0428  2447.41  154.036  2457.26  260.286  2442.10  191.091   91.919   4.9030   91.784   3.6048 0.1345978 6.085562 
1 1 1   16    3  -20 o   52.474   4.7304  795.002  141.906  880.406  220.449  734.576  185.433   54.819   6.9629   50.129   6.4049 4.690285 9.460712 
1 1 1   16    4  -20 o   95.864   3.2698  2667.40  177.301  2688.85  281.130  2653.23  228.465   96.121   5.0641   95.606   4.1376 0.5157776 6.539499 
1 1 1   16    5  -20 o   70.151   5.9392  1366.13  215.480  1268.31  249.880  1649.86  425.561   65.835   6.5719   74.468   9.8949 -8.633041 11.87848 
1 1 1   16    6  -20 o   25.316   7.0360  112.665  151.194   73.853  209.882  154.536  217.991   23.887   9.7105   26.745   10.185 -2.857298 14.07202 
1 1 1   16    7  -20 o   75.563   4.8077  1590.31  195.230  1460.12  232.384  1902.65  359.934   70.737   5.6882   80.390   7.7524 -9.652977 9.615411 
1 1 1   16    8  -20 o  141.283   1.9735  5793.23  160.339  5949.43  218.645  5611.49  235.839  143.368   2.6406  139.199   2.9336 4.169373 3.946965 
1 1 1   16    9  -20 o  176.905   2.7589  9213.37  261.896  8731.84  459.727  9444.73  318.660  173.254   4.5944  180.556   3.0558 -7.301575 5.517866 
1 1 1   16   10  -20 o   18.534   6.1698 -326.3669  161.855 -58.0678  271.782 -473.8145  201.479   23.464   10.331   13.603   6.7475 9.861176 12.33957 
1 1 1   16   11  -20 o   74.506   4.0008  1562.71  154.840  1761.03  299.609  1490.43  180.866   77.431   6.6997   71.581   4.3750 5.850021 8.001662 
1 1 1   16   12  -20 o   73.493   5.4506  1771.47  182.747  1913.04  208.639  1304.92  378.760   81.068   4.4561   65.918   9.9489 15.14991 10.90125 
1 1 1   16   13  -20 o  122.165   3.2630  4320.61  160.285  4389.18  427.228  4309.38  172.915  122.329   6.0471  122.002   2.4540 0.3262405 6.526072 
1 1 1   16   14  -20 o   86.047   3.2444  2116.16  156.373  2330.63  259.501  1993.88  195.944   89.319   5.0305   82.775   4.0987 6.543900 6.488872 
1 1 1   16   15  -20 o  118.034   2.1934  4043.41  149.488  3970.93  212.394  4114.57  210.434  116.978   3.1438  119.090   3.0595 -2.112366 4.386827 
1 1 1   16   16  -20 o  149.825   2.9308  6512.40  253.600  6512.40  253.600   0.0000   0.0000  149.825   2.9308  ?   ?       ?      ? 
1 1 1   16   17  -20 o   21.675   6.4530   19.981  130.105   95.616  227.941 -16.5680  158.451   24.944   10.127   18.405   8.0001 6.539139 12.90599 
1 1 1   16   18  -20 o  110.261   3.3596  3484.47  170.273  3693.93  387.579  3434.38  189.545  111.790   6.0030  108.731   3.0184 3.058876 6.719141 
1 1 1   16   19  -20 o   91.292   3.3233  2384.05  171.337  2733.75  279.451  2173.41  216.884   96.421   5.0182   86.163   4.3583 10.25788 6.646612 
1 1 1   16   20  -20 o   61.363   5.2699  1111.75  186.766   0.0000   0.0000  1111.75  186.766  ?   ?    61.363   5.2699      ?      ? 
1 1 1   16   21  -20 o   58.215   5.0666  1041.66  163.584  1096.40  208.241  953.442  264.358   60.652   5.9448   55.779   8.2061 4.872513 10.13315 
1 1 1   16   22  -20 o   41.584   6.4494  581.415  157.931  814.087  215.180  309.729  232.522   51.737   7.2013   31.431   10.701 20.30657 12.89873 
1 1 1   16   23  -20 o   85.865   3.6899  2205.05  155.510  2213.38  178.499  2178.80  316.773   86.911   3.5561   84.820   6.4665 2.090858 7.379784 
1 1 1   16   24  -20 f   25.215   6.4316  187.163  120.475  228.285  147.151  103.564  209.814   26.796   8.4830   23.634   9.6696 3.161602 12.86325 
1 1 1   16   25  -20 o   26.149   6.6249  206.863  126.959  192.703  176.096  222.189  183.208   25.502   9.2589   26.796   9.4778 -1.294144 13.24971 
1 1 1   16   26  -20 o   34.639   6.1624  410.533  120.629  366.890  202.801  434.428  150.061   32.609   9.8996   36.670   7.3417 -4.060883 12.32489 
1 1 1   16   27  -20 o   13.777   4.8669 -420.5519  138.942 -434.0222  246.217 -414.2581  168.299   15.651   7.7062   11.903   5.9464 3.747561 9.733728 
1 1 1   16   28  -20 o   21.464   6.0432  103.715  113.277  150.840  164.886   61.592  155.890   23.180   8.8504   19.748   8.2313 3.432335 12.08649 
1 1 1   16   29  -20 o   11.302   5.7035 -524.6197  175.779   0.0000   0.0000 -524.6197  175.779  ?   ?    11.302   5.7035      ?      ? 
1 1 1   16   30  -20 o   20.425   6.7956 -85.4010  135.705   89.286  364.914 -113.4370  146.190   26.241   11.737   14.609   6.8529 11.63237 13.59111 
1 1 1   16   31  -20 o   25.868   6.4525  167.890  103.469  109.958  116.521  383.893  224.995   19.836   7.4717   31.900   10.522 -12.06415 12.90504 
1 1 1   16   32  -20 o   16.397   5.3930 -84.7183  104.138 -116.6223  120.112   11.870  208.989   12.768   6.0566   20.027   8.9251 -7.258204 10.78607 
1 1 1   16   33  -20 o   44.335   5.0381  670.975  104.334  687.885  120.237  619.434  209.915   47.501   4.3828   41.168   9.0731 6.332478 10.07625 
1 1 1   16    0  -21 o  122.399   3.9582  4351.30  279.149  4351.30  279.149   0.0000   0.0000  122.399   3.9582  122.399   3.9582 -0.000000 0.000000 
1 1 1   16    1  -21 o   74.669   4.7741  1629.21  191.146  1619.37  230.682  1650.77  341.442   74.521   5.3598   74.816   7.9020 -0.2947540 9.548246 
1 1 1   16    2  -21 o  102.485   4.3121  3238.44  204.567  2790.06  437.127  3364.18  231.479   97.290   7.7795  107.679   3.7221 -10.38937 8.624133 
1 1 1   16    3  -21 o   66.739   5.4876  1315.04  211.132  1233.95  300.086  1394.52  297.107   64.649   8.0371   68.829   7.4741 -4.179749 10.97526 
1 1 1   16    4  -21 o   31.045   7.6233  243.278  177.946   74.712  256.171  400.457  247.367   25.846   10.642   36.245   10.918 -10.39806 15.24654 
1 1 1   16    5  -21 o   25.709   7.6348   16.178  160.859 -30.0612  181.282  187.406  348.848   19.517   8.5191   31.901   12.672 -12.38313 15.26965 
1 1 1   16    6  -21 f  179.462   1.9384  9321.76  200.788  9208.22  278.373  9444.89  289.890  178.331   2.7028  180.594   2.7794 -2.263275 3.876859 
1 1 1   16    7  -21 o  101.822   3.1639  3043.54  170.402  2948.76  308.643  3085.10  204.373  100.513   5.3168  103.131   3.4312 -2.617775 6.327845 
1 1 1   16    8  -21 o   29.590   7.3738  213.584  146.683  168.224  175.296  319.521  267.891   25.666   9.2501   33.515   11.486 -7.849609 14.74769 
1 1 1   16    9  -21 o   35.063   8.5176  351.105  185.850  268.870  412.250  372.081  208.208   35.391   13.864   34.735   9.8984 0.6560936 17.03510 
1 1 1   16   10  -21 o  121.442   3.5136  4414.92  199.941  4112.54  429.637  4498.50  225.892  118.336   6.2864  124.548   3.1404 -6.212418 7.027123 
1 1 1   16   11  -21 o   50.951   5.0462  701.714  140.654  575.727  168.941  986.333  253.923   44.214   6.6159   57.688   7.6214 -13.47377 10.09239 
1 1 1   16   12  -21 o  115.424   2.5218  3877.24  165.552  3908.57  216.601  3833.22  256.732  116.049   3.2317  114.799   3.8722 1.249229 5.043596 
1 1 1   16   13  -21 o   69.958   3.9789  1423.28  157.949  1505.84  250.587  1368.86  203.455   71.535   6.0654   68.382   5.1516 3.153069 7.957874 
1 1 1   16   14  -21 o   18.530   6.1389 -208.3554  162.857 -181.7988  212.320 -246.3106  253.829   17.953   8.3680   19.108   8.9846 -1.155024 12.27787 
1 1 1   16   15  -21 o   68.991   4.5037  1334.78  162.416  1584.27  313.966  1243.62  189.782   72.856   7.4616   65.126   5.0456 7.729767 9.007397 
1 1 1   16   16  -21 o   35.294   6.5551  329.134  132.279  618.197  240.248  203.381  158.462   44.162   9.6860   26.426   8.8350 17.73593 13.11013 
1 1 1   16   17  -21 o   16.336   5.5435 -223.2226  132.907 -267.3762  251.439 -206.1027  156.567   18.553   8.7896   14.119   6.7575 4.434506 11.08699 
1 1 1   16   18  -21 o   25.541   7.3975   98.126  174.796   49.648  245.669  147.831  248.759   24.182   10.222   26.899   10.696 -2.716742 14.79494 
1 1 1   16   19  -21 o   82.222   3.0580  1968.33  145.214   0.0000   0.0000  1968.33  145.214  ?   ?    82.222   3.0580      ?      ? 
1 1 1   16   20  -21 o   71.978   5.2085  1579.74  214.881  1610.67  288.830  1541.39  321.576   73.017   6.8491   70.940   7.8488 2.076370 10.41705 
1 1 1   16   21  -21 f   21.951   6.6757 -56.0299  165.610  165.892  237.545 -265.9043  231.007   26.619   10.494   17.282   8.2543 9.337011 13.35137 
1 1 1   16   22  -21 o   92.742   3.8591  2553.74  167.889  2613.44  366.913  2537.94  188.814   92.450   6.8718   93.035   3.5140 -0.5847549 7.718155 
1 1 1   16   23  -21 o   16.058   5.4011 -236.3536  128.966 -62.9832  214.537 -334.4537  161.380   19.673   8.8822   12.443   6.1478 7.230357 10.80228 
1 1 1   16   24  -21 o   26.464   7.8238  126.595  193.826   71.850  243.600  221.057  319.988   23.689   10.102   29.239   11.950 -5.549240 15.64768 
1 1 1   16   25  -21 o   20.068   5.8067   40.739  107.306 -32.6665  135.923  162.174  174.823   16.059   7.1742   24.078   9.1323 -8.019756 11.61330 
1 1 1   16   26  -21 o   25.322   6.9466  181.761  136.626  192.502  160.094  152.967  262.118   24.835   8.8516   25.809   10.708 -0.9740887 13.89323 
1 1 1   16   27  -21 o   59.365   3.8543  1081.39  130.204  1052.49  200.077  1102.63  171.484   58.368   5.9353   60.362   4.9190 -1.994293 7.708694 
1 1 1   16   28  -21 o   14.089   4.7976 -198.9836  114.439 -253.7873  179.798 -161.6622  148.375   14.292   6.9387   13.885   6.6273 0.4068871 9.595113 
1 1 1   16   29  -21 o   19.716   5.5423   57.112   96.857 -23.1710  123.769  183.963  155.577   15.375   6.8589   24.058   8.7076 -8.683003 11.08456 
1 1 1   16   30  -21 o   39.938   6.0977  572.741  129.195  492.162  233.418  608.329  155.124   35.917   10.554   43.959   6.1101 -8.041618 12.19541 
1 1 1   16   31  -21 o   15.075   4.9031 -92.9817  103.390   11.531  138.108 -226.2260  155.941   16.995   7.4265   13.155   6.4038 3.840058 9.806167 
1 1 1   16   32  -21 o   17.264   5.5746 -52.4302  122.228 -104.4944  160.228   20.037  189.034   15.288   7.1722   19.239   8.5361 -3.951930 11.14927 
1 1 1   16    0  -22 o   97.626   4.2944  2835.57  230.411  2925.32  291.294  2685.57  376.592  100.010   5.0729   95.242   6.9306 -0.000000 0.000000 
1 1 1   16    1  -22 o   56.228   3.9259  937.529  121.932  876.761  200.978  972.925  153.385   54.656   6.3668   57.799   4.5949 -3.142624 7.851722 
1 1 1   16    2  -22 o   93.643   2.7510  2526.50  147.472  2702.80  226.870  2397.49  194.065   96.421   4.0740   90.865   3.6980 5.555328 5.502060 
1 1 1   16    3  -22 o   95.523   2.3468  2648.70  129.030  2669.67  175.790  2624.21  189.988   95.952   3.1722   95.095   3.4593 0.8575287 4.693516 
1 1 1   16    4  -22 o   70.436   3.4744  1450.59  140.332  1416.40  209.995  1478.18  188.638   69.639   5.2212   71.233   4.5852 -1.594460 6.948771 
1 1 1   16    5  -22 o  109.518   3.3731  3519.14  208.642  3388.02  328.167  3608.10  270.308  107.677   5.2770  111.359   4.2029 -3.682335 6.746196 
1 1 1   16    6  -22 o   34.229   6.9824  362.224  145.528  377.064  196.739  344.293  216.260   34.869   9.5076   33.589   10.229 1.279179 13.96489 
1 1 1   16    7  -22 o   52.107   4.6132  806.971  135.401  761.326  213.126  837.862  175.331   50.739   7.2729   53.474   5.6771 -2.735489 9.226315 
1 1 1   16    8  -22 o   36.989   6.9587  406.784  153.196  583.620  238.137  281.932  200.097   43.194   9.7741   30.783   9.9077 12.41063 13.91748 
1 1 1   16    9  -22 o   45.958   7.9590  722.701  192.301  478.551  407.480  792.656  218.118   40.204   14.144   51.713   7.3031 -11.50826 15.91808 
1 1 1   16   10  -22 o   66.663   3.6771  1315.68  139.941  1162.50  205.646  1447.80  190.981   62.923   5.6588   70.402   4.6970 -7.478832 7.354139 
1 1 1   16   11  -22 o   46.501   5.1267  612.859  133.158  533.420  164.767  762.435  226.091   42.452   6.7203   50.551   7.7440 -8.099571 10.25342 
1 1 1   16   12  -22 o   52.365   5.2596  804.769  159.066   0.0000   0.0000  804.769  159.066  ?   ?    52.365   5.2596      ?      ? 
1 1 1   16   13  -22 o   44.988   5.1460  616.290  129.591  556.362  188.237  670.285  178.676   42.430   7.9743   47.547   6.5067 -5.116997 10.29209 
1 1 1   16   14  -22 o   87.757   4.1990  2232.61  140.185  2337.59  399.933  2217.90  149.681   88.138   7.8567   87.377   2.9661 0.7612534 8.397908 
1 1 1   16   15  -22 o   11.506   4.0991 -546.5656  125.494 -656.8566  192.260 -464.6939  165.648   11.491   5.8181   11.520   5.7759 -0.2841759E-01 8.198231 
1 1 1   16   16  -22 o   18.959   6.0702 -226.2984  137.987 -375.0291  166.551   99.240  246.405   12.454   6.1700   25.465   10.456 -13.01039 12.14046 
1 1 1   16   17  -22 o   22.416   6.0694 -21.0991  120.384  296.424  210.045 -176.4191  146.906   30.898   10.165   13.933   6.6346 16.96505 12.13883 
1 1 1   16   18  -22 o   13.228   6.3942 -223.7149  148.515   0.0000   0.0000 -223.7149  148.515  ?   ?    13.228   6.3942      ?      ? 
1 1 1   16   19  -22 o   39.159   6.2312  600.630  130.863  715.380  149.636  227.441  269.851   49.036   5.2836   29.282   11.287 19.75413 12.46245 
1 1 1   16   20  -22 o   89.045   3.5100  2306.33  173.574  2546.01  294.043  2178.15  215.037   92.212   5.5213   85.878   4.3356 6.333939 7.020064 
1 1 1   16   21  -22 o   57.796   4.1342  985.507  126.702  1070.13  233.926  950.374  150.725   59.031   6.8614   56.562   4.6140 2.468796 8.268480 
1 1 1   16   22  -22 o   61.655   3.2633  1092.11  113.845  936.654  144.385  1347.59  185.098   56.128   4.4541   67.182   4.7705 -11.05387 6.526588 
1 1 1   16   23  -22 o   31.675   6.3108  345.059  121.588  278.602  190.845  390.463  157.747   28.969   9.6958   34.382   8.0807 -5.412403 12.62167 
1 1 1   16   24  -22 o   20.590   6.1148   40.883  128.765  138.268  176.140 -70.8994  188.713   23.183   9.0677   17.997   8.2060 5.185574 12.22954 
1 1 1   16   25  -22 o   19.397   5.6693   60.357  104.894  -6.0584  166.699  103.890  134.962   18.322   8.0780   20.473   7.9567 -2.150366 11.33858 
1 1 1   16   26  -22 o   18.877   6.3808 -123.6122  115.112 -147.2872  122.591   52.840  334.678   12.487   5.9775   25.267   11.275 -12.77973 12.76155 
1 1 1   16   27  -22 o   17.626   5.5174 -42.5356  114.715 -142.8421  155.908   75.874  169.393   14.652   6.9357   20.599   8.5827 -5.946648 11.03484 
1 1 1   16   28  -22 o   65.470   3.4029  1306.64  128.204  1246.78  186.367  1360.41  176.640   63.875   5.0519   67.065   4.5605 -3.189583 6.805856 
1 1 1   16   29  -22 f   67.592   3.8738  1405.77  143.742  1452.73  245.147  1381.16  177.446   67.727   6.2673   67.456   4.5547 0.2703857 7.747540 
1 1 1   16   30  -22 o   12.717   4.2986 -133.5828   85.985 -150.8244  110.540 -107.1673  136.824   11.432   5.5236   14.003   6.5881 -2.571162 8.597271 
1 1 1   16   31  -22 f   31.333   6.3761  379.733  122.291  417.964  148.817  300.229  214.605   34.676   7.6372   27.989   10.212 6.686743 12.75211 
1 1 1   16    0  -23 o   65.554   5.1084  1271.11  190.703  1271.11  190.703   0.0000   0.0000   65.554   5.1084   65.554   5.1084 -0.000000 0.000000 
1 1 1   16    1  -23 o   37.776   5.0559  422.331  107.527  357.601  142.621  507.584  163.676   34.100   7.4502   41.452   6.8368 -7.352737 10.11171 
1 1 1   16    2  -23 o   18.329   5.6465 -88.2943  118.916   81.351  179.271 -221.5905  158.909   22.559   9.0433   14.100   6.7640 8.459401 11.29305 
1 1 1   16    3  -23 o   27.211   6.2377  208.405  116.638  301.266  165.836  117.502  164.079   31.247   8.8095   23.175   8.8335 8.071884 12.47549 
1 1 1   16    4  -23 o   15.918   5.2046 -158.9729  116.215 -40.1241  165.964 -273.3156  162.787   18.268   8.0568   13.569   6.5909 4.699295 10.40923 
1 1 1   16    5  -23 o   15.161   5.3749 -374.3000  133.629 -503.8815  308.532 -344.3798  148.255   18.610   9.0475   11.711   5.8054 6.898940 10.74984 
1 1 1   16    6  -23 o   72.561   3.5140  1542.56  145.339  1529.03  223.763  1552.43  191.150   72.207   5.3657   72.916   4.5391 -0.7095261 7.028062 
1 1 1   16    7  -23 f   51.314   4.2181  797.054  119.701  690.046  191.790  865.333  153.202   48.248   6.8828   54.380   4.8780 -6.132500 8.436110 
1 1 1   16    8  -23 o   37.159   7.9262  286.058  159.738  776.819  366.181  170.722  177.519   48.684   12.839   25.634   9.2978 23.04976 15.85239 
1 1 1   16    9  -23 o   75.069   2.9491  1673.20  122.288  1541.05  200.694  1751.23  154.225   72.544   4.7901   77.594   3.4415 -5.049370 5.898208 
1 1 1   16   10  -23 o   80.133   3.7485  1880.18  172.827  1974.13  258.087  1803.80  232.706   81.898   5.4564   78.368   5.1414 3.529984 7.497076 
1 1 1   16   11  -23 o   45.696   5.4306  622.821  139.065  535.146  182.438  744.414  214.849   41.561   7.8891   49.832   7.4652 -8.271370 10.86126 
1 1 1   16   12  -23 o   34.410   6.6232  375.363  132.991  371.340  214.167  377.888  169.666   34.210   10.126   34.610   8.5403 -0.4004211 13.24649 
1 1 1   16   13  -23 o   53.060   4.3971  847.234  132.742  912.362  177.935  765.499  199.332   55.545   5.5467   50.574   6.8244 4.970833 8.794198 
1 1 1   16   14  -23 o   20.682   5.7386   79.001  104.747 -78.7373  190.195  147.673  125.494   18.526   8.3637   22.839   7.8596 -4.313120 11.47719 
1 1 1   16   15  -23 o   36.510   5.1015  464.315   89.931  305.576  178.406  518.391  104.128   31.004   9.2568   42.016   4.2911 -11.01265 10.20299 
1 1 1   16   16  -23 o   48.463   4.4606  670.077  120.065  836.579  207.044  585.716  147.376   52.618   6.8131   44.308   5.7591 8.309166 8.921102 
1 1 1   16   17  -23 o   37.428   6.5958  431.405  120.851  498.881  270.770  414.620  135.048   38.333   11.395   36.524   6.6470 1.808899 13.19168 
1 1 1   16   18  -23 o   24.818   6.8694  139.944  138.171  184.497  231.344  115.239  172.272   26.864   10.424   22.773   8.9498 4.091305 13.73882 
1 1 1   16   19  -23 o   27.039   9.0659  229.506  166.859   0.0000   0.0000  229.506  166.859  ?   ?    27.039   9.0659      ?      ? 
1 1 1   16   20  -23 o   80.170   3.8810  1980.71  168.510  1801.45  285.599  2076.44  208.710   76.679   6.4490   83.660   4.3196 -6.981361 7.762006 
1 1 1   16   21  -23 o   68.072   4.7461  1372.18  172.493  1605.43  319.136  1275.91  205.021   71.208   7.7600   64.936   5.4668 6.272888 9.492226 
1 1 1   16   22  -23 o   16.105   5.3189 -199.3899  129.598 -396.8291  183.769  -4.0434  182.792   12.954   6.4287   19.256   8.4756 -6.301663 10.63786 
1 1 1   16   23  -23 o   46.635   4.0385  666.602  108.684  687.123  152.527  645.435  154.905   47.431   5.5680   45.839   5.8512 1.591541 8.077042 
1 1 1   16   24  -23 o   37.275   6.1054  410.313  111.787  352.943  126.288  617.982  240.273   32.971   6.8556   41.578   10.105 -8.607548 12.21085 
1 1 1   16   25  -23 o   16.409   5.6494 -260.6849  126.605 -320.7639  143.530 -50.0491  268.749   11.354   5.6424   21.464   9.7890 -10.10999 11.29874 
1 1 1   16   26  -23 o   24.927   6.1661  158.828  117.326  353.164  185.867   30.100  151.274   31.442   9.4621   18.412   7.9090 13.03046 12.33221 
1 1 1   16   27  -23 o   25.465   5.5568  217.800   95.035  298.910  130.952  127.549  138.134   29.678   7.6052   21.252   8.1040 8.425943 11.11364 
1 1 1   16   28  -23 o   15.897   5.1697 -98.4332  114.768   15.297  153.102 -244.3169  173.398   17.879   7.8158   13.914   6.7686 3.965178 10.33932 
1 1 1   16   29  -23 o   14.171   6.6058 -85.1286  132.367 -85.1286  132.367   0.0000   0.0000   14.171   6.6058  ?   ?       ?      ? 
1 1 1   16   30  -23 o   36.138   5.1099  443.538  102.684  399.660  138.978  496.286  152.379   34.094   7.2795   38.183   7.1732 -4.089619 10.21987 
1 1 1   16    0  -24 f   13.159   8.6659 -26.9986  168.019 -26.9986  168.019   0.0000   0.0000   13.159   8.6659   13.159   8.6659 -0.000000 0.000000 
1 1 1   16    1  -24 o   18.400   5.6222 -23.7749  112.560 -103.8035  162.343   50.313  156.201   16.481   7.5512   20.318   8.3316 -3.837269 11.24440 
1 1 1   16    2  -24 o   60.974   3.6495  1080.05  126.421  1152.09  200.080  1032.18  163.105   62.575   5.5363   59.373   4.7565 3.201561 7.298963 
1 1 1   16    3  -24 o   16.265   5.4749 -252.0736  142.059 -328.9452  198.879 -171.9935  202.988   14.971   7.2751   17.559   8.1836 -2.587481 10.94981 
1 1 1   16    4  -24 o   41.163   4.8958  524.498  109.569  455.463  172.159  571.499  142.053   38.276   8.0435   44.051   5.5836 -5.775291 9.791525 
1 1 1   16    5  -24 o   27.487   5.8240  201.401  106.476  370.496  165.699   82.469  138.964   34.377   8.4140   20.598   8.0548 13.77933 11.64796 
1 1 1   16    6  -24 f   42.218   6.7842  636.154  138.888  388.334  312.341  697.232  155.062   35.796   12.395   48.640   5.5198 -12.84436 13.56846 
1 1 1   16    7  -24 o   19.806   6.3005 -35.0376  131.482 -281.5680  304.566   21.432  145.765   20.864   9.8202   18.747   7.8962 2.116848 12.60101 
1 1 1   16    8  -24 o   17.234   5.6287 -86.8973  115.465 -233.6024  242.735 -43.9934  131.268   18.602   8.7589   15.865   7.0718 2.736773 11.25739 
1 1 1   16    9  -24 o  ?   ?  -1005.8350  144.477 -1067.0520  207.592 -948.3295  201.201  ?   ?   ?   ?       ?      ? 
1 1 1   16   10  -24 o   39.010   5.5208  483.888  109.172  434.574  207.077  502.871  128.478   36.770   9.6350   41.250   5.3929 -4.480331 11.04155 
1 1 1   16   11  -24 o   16.244   5.5513 -282.7196  141.682 -231.5931  250.506 -306.7664  171.800   18.919   8.9049   13.570   6.6311 5.348253 11.10268 
1 1 1   16   12  -24 o   47.970   4.9307  659.396  129.332  493.175  162.586  945.801  213.419   39.810   7.3419   56.130   6.5835 -16.31961 9.861338 
1 1 1   16   13  -24 o   27.594   7.4291  127.065  140.813  381.348  306.482   59.025  158.536   34.727   12.261   20.462   8.3924 14.26514 14.85823 
1 1 1   16   14  -24 o   47.674   4.6765  681.083  128.169  776.222  190.581  602.522  173.182   50.723   6.5057   44.625   6.7196 6.098103 9.352914 
1 1 1   16   15  -24 o   60.372   3.3305  1083.44  114.731  1050.54  174.742  1108.37  152.111   59.438   5.0904   61.307   4.2960 -1.869427 6.660935 
1 1 1   16   16  -24 o   68.216   4.3025  1374.91  169.509   0.0000   0.0000  1374.91  169.509  ?   ?    68.216   4.3025      ?      ? 
1 1 1   16   17  -24 f   63.105   5.8578  1113.26  187.514  1588.99  391.480  971.620  213.612   69.834   9.7064   56.377   6.5606 13.45723 11.71560 
1 1 1   16   18  -24 o   72.228   5.0602  1797.24  142.816  1358.87  354.879  1881.96  156.006   64.399   9.5415   80.057   3.3741 -15.65826 10.12048 
1 1 1   16   19  -24 o   58.587   5.7920  1057.79  175.956  1007.50  206.158  1192.68  337.669   57.315   6.2280   59.859   9.7673 -2.544224 11.58396 
1 1 1   16   20  -24 o   24.699   7.0193  123.629  139.001  249.674  266.432   76.492  162.932   28.715   11.174   20.683   8.4985 8.031721 14.03867 
1 1 1   16   21  -24 o   36.181   7.3702  480.068  146.557  498.487  162.367  399.068  340.491   39.109   7.4607   33.253   12.713 5.856369 14.74042 
1 1 1   16   22  -24 o   27.202   7.0986  239.580  156.770   40.475  280.857  329.691  188.943   23.688   10.462   30.716   9.5968 -7.028215 14.19716 
1 1 1   16   23  -24 o   29.840   6.1526  284.343  104.627  373.105  195.274  248.600  123.914   32.382   9.6882   27.298   7.5866 5.083839 12.30519 
1 1 1   16   24  -24 o   30.685   6.1856  344.258  125.860  461.489  161.295  161.748  201.252   37.131   7.7708   24.238   9.6261 12.89357 12.37123 
1 1 1   16   25  -24 o   39.631   6.8615  559.709  153.390  610.834  243.279  525.973  197.623   40.599   10.345   38.662   9.0163 1.937828 13.72302 
1 1 1   16   26  -24 o   22.299   6.6405  102.464  145.443   22.443  245.121  145.944  180.687   21.648   9.6555   22.950   9.1191 -1.302073 13.28101 
1 1 1   16   27  -24 o   25.282   6.1670  220.758  109.564  236.845  151.930  203.326  158.153   26.014   8.6496   24.551   8.7927 1.463932 12.33400 
1 1 1   16   28  -24 o   20.388   5.9055   99.727  110.782  105.330  152.541   93.473  161.152   20.455   8.2916   20.322   8.4112 0.1327457 11.81098 
1 1 1   16   29  -24 o   67.758   3.2577  1418.69  124.794  1435.57  161.804  1393.90  196.060   68.720   4.0768   66.795   5.0823 1.924843 6.515373 
1 1 1   16    0  -25 f   11.987   5.8865 -165.6719  142.768 -204.6545  215.487 -135.1724  190.604   11.992   8.3868   11.982   8.2622 -0.000000 0.000000 
1 1 1   16    1  -25 o   34.129   7.2159  357.615  154.530  265.915  204.870  478.647  235.367   29.790   10.045   38.468   10.362 -8.678146 14.43179 
1 1 1   16    2  -25 o   16.643   5.8041 -363.7798  138.241 -193.2290  300.277 -409.6494  155.725   21.853   10.105   11.434   5.7132 10.41849 11.60813 
1 1 1   16    3  -25 o  111.342   2.3302  3646.84  145.580  3775.25  186.992  3449.23  231.964  113.977   2.8407  108.707   3.6947 5.269958 4.660476 
1 1 1   16    4  -25 o   61.154   4.3334  1086.94  146.939  1025.04  181.618  1204.23  250.008   58.908   5.3382   63.400   6.8277 -4.491997 8.666874 
1 1 1   16    5  -25 o   45.247   6.1777  630.364  151.253  711.496  250.477  583.800  189.757   47.204   9.5162   43.290   7.8801 3.914925 12.35531 
1 1 1   16    6  -25 o   38.462   6.1083  477.829  126.713  506.409  152.559  414.255  227.532   41.163   6.4172   35.762   10.395 5.400864 12.21656 
1 1 1   16    7  -25 o   24.191   6.2615  156.087  117.598  -7.8096  223.057  219.178  138.393   21.735   9.4694   26.648   8.1949 -4.913218 12.52304 
1 1 1   16    8  -25 o   34.191   7.2853  328.218  127.831  469.483  305.150  298.151  140.779   37.691   12.245   30.692   7.8965 6.998743 14.57055 
1 1 1   16    9  -25 o   67.276   3.7498  1369.04  140.523  1460.56  180.535  1228.36  223.830   70.452   4.4369   64.099   6.0462 6.352852 7.499513 
1 1 1   16   10  -25 o   54.288   4.4673  874.317  131.193  918.800  231.968  853.398  159.079   54.929   7.3120   53.646   5.1344 1.283375 8.934659 
1 1 1   16   11  -25 o   28.001   6.8007  225.686  127.367  292.594  219.265  191.612  156.473   30.550   10.392   25.453   8.7753 5.097651 13.60133 
1 1 1   16   12  -25 o   52.779   6.0134  920.638  138.807  813.442  304.827  948.681  155.910   48.980   11.040   56.578   4.7714 -7.597153 12.02681 
1 1 1   16   13  -25 o   15.787   5.2302 -100.5099  106.993 -336.9768  235.990 -39.3274  120.039   16.534   8.0086   15.040   6.7290 1.493354 10.46031 
1 1 1   16   14  -25 o   18.500   5.6993 -29.6330  107.160   86.724  192.347 -82.0022  129.041   22.490   9.2365   14.511   6.6794 7.978434 11.39855 
1 1 1   16   15  -25 o   15.266   7.7182 -962.0535  196.499 -941.2125  244.218 -1000.3170  330.910  ?   ?    15.266   7.7182      ?      ? 
1 1 1   16   16  -25 o   25.238   6.5024  151.788  116.705  305.170  212.916   85.914  139.533   30.289   10.241   20.188   8.0160 10.10092 13.00485 
1 1 1   16   17  -25 o   51.289   5.8442  857.916  167.371  949.830  232.150  758.428  241.526   54.999   7.3085   47.579   9.1215 7.420135 11.68830 
1 1 1   16   18  -25 o   33.213   6.5904  366.200  127.633  437.856  213.210  326.181  159.336   35.318  10.0000   31.109   8.5869 4.208773 13.18085 
1 1 1   16   19  -25 o   17.089   5.6014 -107.4554  131.411 -95.8993  178.961 -120.9771  193.584   16.953   7.8257   17.226   8.0163 -0.2735004 11.20279 
1 1 1   16   20  -25 o   88.135   3.3186  2389.80  161.253  2145.66  262.549  2537.68  204.335   83.835   5.4225   92.436   3.8275 -8.600647 6.637290 
1 1 1   16   21  -25 o   19.102   5.9900 -18.5705  131.920   52.276  196.047 -77.1941  178.335   21.011   9.0139   17.193   7.8911 3.817602 11.98003 
1 1 1   16   22  -25 f   24.720   6.7891  168.346  141.127  252.930  206.522   94.244  193.301   27.448   10.017   21.992   9.1661 5.456196 13.57823 
1 1 1   16   23  -25 o   26.873   6.3328  240.486  114.953  192.329  151.852  305.123  175.927   24.365   8.6275   29.381   9.2726 -5.016577 12.66555 
1 1 1   16   24  -25 o   18.510   5.8292 -17.5950  120.655 -60.1709  150.434   59.184  202.016   15.918   7.2843   21.102   9.1025 -5.183684 11.65831 
1 1 1   16   25  -25 o   15.555   5.1057 -77.0362  102.589 -87.0327  125.168 -56.5785  179.060   13.748   6.4138   17.362   7.9458 -3.613877 10.21140 
1 1 1   16   26  -25 o   28.866   5.6489  285.474  100.173  195.611  134.833  396.179  149.655   23.956   8.1490   33.775   7.8254 -9.818829 11.29790 
1 1 1   16   27  -25 o   43.682   5.8460  716.327  129.798  795.256  157.036  546.126  230.602   50.311   5.4045   37.054   10.368 13.25720 11.69196 
1 1 1   16    0  -26 o   78.779   4.7836  1831.71  215.807  1831.71  215.807   0.0000   0.0000   78.779   4.7836   78.779   4.7836 -0.000000 0.000000 
1 1 1   16    1  -26 o   13.777   4.8489 -525.1844  153.678 -686.7087  232.945 -400.7094  204.492   13.258   6.6743   14.295   7.0357 -1.037401 9.697823 
1 1 1   16    2  -26 o   46.613   6.1909  651.302  166.665  651.302  166.665   0.0000   0.0000   46.613   6.1909  ?   ?       ?      ? 
1 1 1   16    3  -26 o  ?   ?  -1153.6300  127.250 -1139.7310  291.310 -1156.9080  141.460  ?   ?   ?   ?       ?      ? 
1 1 1   16    4  -26 f   79.998   2.3740  1870.83  108.312  1860.48  166.571  1878.42  142.567   79.732   3.6173   80.264   3.0755 -0.5312576 4.747965 
1 1 1   16    5  -26 o   44.406   4.8495  626.080  114.589  526.588  184.947  688.069  145.985   40.694   8.1534   48.118   5.2530 -7.424690 9.699077 
1 1 1   16    6  -26 o   24.823   6.9654  102.050  109.638  251.599  294.111   77.915  118.154   30.482   11.774   19.164   7.4458 11.31794 13.93074 
1 1 1   16    7  -26 o   12.194   6.0623 -390.3033  166.325   0.0000   0.0000 -390.3033  166.325  ?   ?    12.194   6.0623      ?      ? 
1 1 1   16    8  -26 o   27.637   7.2384  180.824  122.604  314.045  298.082  153.698  134.508   32.135   11.980   23.138   8.1271 8.997229 14.47688 
1 1 1   16    9  -26 o   47.105   5.2447  662.493  142.686   0.0000   0.0000  662.493  142.686  ?   ?    47.105   5.2447      ?      ? 
1 1 1   16   10  -26 o   18.320   6.1514 -246.9569  171.157 -306.1678  221.801 -159.7968  269.105   16.172   7.8165   20.469   9.5006 -4.297470 12.30279 
1 1 1   16   11  -26 o   33.471   6.9388  364.835  133.877  349.858  158.611  401.940  249.652   32.674   8.3684   34.269   11.071 -1.595146 13.87770 
1 1 1   16   12  -26 o   37.503   6.0865  461.764  126.094  471.813  205.598  455.705  159.644   37.373   9.5036   37.633   7.6067 -0.2597542 12.17294 
1 1 1   16   13  -26 o   77.109   3.8612  1847.66  160.140  1960.75  197.935  1633.36  272.469   81.305   4.2152   72.912   6.4704 8.392891 7.722311 
1 1 1   16   14  -26 o   15.759   5.3134 -191.1276  128.010 -167.3189  210.174 -205.1680  161.400   17.396   8.1784   14.121   6.7855 3.275270 10.62683 
1 1 1   16   15  -26 o   39.888   5.3157  534.490  116.302  370.860  174.095  666.369  156.294   33.056   8.9148   46.719   5.7925 -13.66287 10.63140 
1 1 1   16   16  -26 o   11.555   4.0995 -409.9517  111.436 -451.1247  145.082 -350.7112  174.027   10.225   5.1623   12.886   6.3699 -2.660810 8.199089 
1 1 1   16   17  -26 o   53.087   5.1399  878.715  147.242  941.594  261.285  849.454  178.239   53.618   8.4376   52.555   5.8722 1.062489 10.27986 
1 1 1   16   18  -26 o   70.282   5.1971  1502.26  210.956  1502.26  210.956   0.0000   0.0000   70.282   5.1971  ?   ?       ?      ? 
1 1 1   16   19  -26 o   73.970   3.0933  1650.47  131.142  1555.82  194.119  1729.95  177.871   71.807   4.6808   76.134   4.0452 -4.326950 6.186552 
1 1 1   16   20  -26 o   32.495   7.4172  364.799  145.184  337.410  168.535  443.610  285.881   31.079   8.9216   33.910   11.852 -2.831318 14.83432 
1 1 1   16   21  -26 o   39.968   6.5519  570.223  149.483  466.098  214.086  669.282  208.815   35.670   9.9929   44.267   8.4764 -8.596970 13.10372 
1 1 1   16   22  -26 o   40.076   5.8302  549.814  129.117  554.566  198.708  546.342  169.865   39.725   8.8836   40.428   7.5528 -0.7024345 11.66038 
1 1 1   16   23  -26 o   23.685   6.0975  181.174  108.192  197.235  154.982  165.906  151.106   24.369   8.7067   23.000   8.5388 1.368992 12.19494 
1 1 1   16   24  -26 o   23.337   5.7929  151.572  119.196  317.177  153.161 -102.7762  189.812   29.791   8.4898   16.883   7.8837 12.90777 11.58570 
1 1 1   16   25  -26 o  ?   ?  -533.1444  142.897 -533.1444  142.897   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   16    0  -27 o   15.436   7.5574 -229.1312  233.778 -119.0708  316.146 -361.9237  347.263   16.360   11.107   14.513   10.251 -0.000000 0.000000 
1 1 1   16    1  -27 o   14.916   5.3148 -401.2016  134.196 -405.5919  150.298 -383.9426  297.998   11.042   5.5314   18.791   9.0770 -7.748197 10.62960 
1 1 1   16    2  -27 o   13.694   6.9009 -796.9456  163.084 -739.9921  252.491 -837.7141  213.623   13.694   6.9009  ?   ?       ?      ? 
1 1 1   16    3  -27 o   37.114   6.6613  451.743  138.118  481.289  235.108  436.173  170.674   37.572   10.453   36.656   8.2599 0.9160423 13.32266 
1 1 1   16    4  -27 o   36.542   5.7738  405.011  112.171  522.936  202.386  352.724  134.764   39.819   9.0107   33.265   7.2218 6.554527 11.54760 
1 1 1   16    5  -27 o   35.251   6.3561  406.010  129.502  477.274  195.689  350.483  172.738   37.945   9.0555   32.558   8.9218 5.386623 12.71220 
1 1 1   16    6  -27 o   26.730   7.7377  157.413  181.023  173.611  216.893  120.223  328.642   25.912   10.082   27.548   11.740 -1.636002 15.47542 
1 1 1   16    7  -27 o   41.974   5.8679  537.668  129.886  688.957  232.957  469.422  156.462   45.591   9.1651   38.357   7.3301 7.234367 11.73582 
1 1 1   16    8  -27 o   18.827   5.6247 -72.2654  125.286 -348.5620  185.996  157.224  169.510   13.679   6.7281   23.976   9.0156 -10.29671 11.24932 
1 1 1   16    9  -27 o   22.381   6.2681  116.556  119.840 -27.7638  232.941  168.503  139.753   21.084   9.4075   23.679   8.2858 -2.594971 12.53620 
1 1 1   16   10  -27 o   11.920   4.2733 -705.9371  149.382 -743.3334  219.489 -673.6676  203.889   12.070   6.1225   11.771   5.9631 0.2992773 8.546535 
1 1 1   16   11  -27 o   30.267   5.9935  319.865  109.834  224.484  190.384  367.446  134.467   26.785   9.6414   33.748   7.1226 -6.963495 11.98704 
1 1 1   16   12  -27 o   31.883   6.6409  358.480  127.729  388.193  151.683  286.055  236.816   34.314   7.8272   29.453   10.730 4.860445 13.28185 
1 1 1   16   13  -27 o   31.196   6.0433  324.847  109.597  345.773  179.519  312.413  138.378   31.703   9.2388   30.689   7.7929 1.014439 12.08659 
1 1 1   16   14  -27 o   21.587   6.1305   68.030  111.924  213.953  199.559   1.0627  135.189   26.279   9.8015   16.896   7.3662 9.383293 12.26095 
1 1 1   16   15  -27 f   50.680   6.3246  857.080  179.252  811.664  235.390  919.772  276.560   49.870   8.1727   51.490   9.6546 -1.620609 12.64924 
1 1 1   16   16  -27 o   36.334   5.4992  438.453  117.180  656.313  170.318  242.638  161.471   45.796   6.4395   26.873   8.9162 18.92223 10.99844 
1 1 1   16   17  -27 o   14.074   4.9855 -436.8039  149.022 -733.9150  299.974 -339.4537  171.709   15.350   7.7066   12.798   6.3268 2.551342 9.970964 
1 1 1   16   18  -27 o   42.941   5.2121  591.034  120.073  636.560  204.944  567.239  148.166   43.200   8.5170   42.683   6.0104 0.5162506 10.42424 
1 1 1   16   19  -27 o   45.085   5.1548  677.963  123.255  718.727  154.988  607.826  203.297   48.229   5.5643   41.941   8.6790 6.287838 10.30950 
1 1 1   16   20  -27 o   21.107   6.3949   71.498  131.808   84.280  157.507   41.628  240.766   20.251   8.3424   21.964   9.6945 -1.712559 12.78982 
1 1 1   16   21  -27 o   46.227   5.0279  705.948  124.130  679.319  206.134  721.098  155.481   44.345   8.3551   48.109   5.5958 -3.764214 10.05589 
1 1 1   16   22  -27 o   57.564   4.7149  1005.67  131.378  1200.16  281.789  951.656  148.506   59.292   8.2288   55.836   4.6052 3.456684 9.429807 
1 1 1   16   23  -27 o   30.311   6.0597  337.788  111.807  373.921  148.678  290.758  169.621   32.566   7.9698   28.056   9.1303 4.509666 12.11940 
1 1 1   16   24  -27 o   45.255   6.7647  648.580  144.945  1030.13  328.717  556.492  161.492   49.503   11.685   41.006   6.8189 8.496666 13.52931 
1 1 1   16    0  -28 o   23.044   11.777  251.091  198.021  251.091  198.021   0.0000   0.0000   23.044   11.777   23.044   11.777 -0.000000 0.000000 
1 1 1   16    1  -28 o   18.734   5.8204 -10.8006  121.638   21.254  175.829 -40.2221  168.452   19.703   8.4957   17.765   7.9581 1.937880 11.64085 
1 1 1   16    2  -28 o   44.406   5.3118  621.375  132.712  545.186  178.884  714.644  197.922   40.975   7.8447   47.836   7.1640 -6.860966 10.62367 
1 1 1   16    3  -28 o   15.051   6.9531 -90.1064  141.681   0.0000   0.0000 -90.1064  141.681  ?   ?    15.051   6.9531      ?      ? 
1 1 1   16    4  -28 o   28.506   6.1772  259.522  108.989  321.995  177.196  221.504  138.229   30.870   9.2273   26.143   8.2151 4.727045 12.35435 
1 1 1   16    5  -28 o   29.678   7.0747  310.914  129.906   6.2969  392.602  348.366  137.661   26.654   12.026   32.701   7.4546 -6.047323 14.14946 
1 1 1   16    6  -28 o   21.239   6.3986   14.569  130.016  168.375  233.502 -54.5433  156.525   25.765   10.324   16.714   7.5627 9.050833 12.79729 
1 1 1   16    7  -28 o   24.406   7.1770  117.785  167.421   86.180  245.093  145.434  229.240   23.865   10.154   24.946   10.146 -1.080978 14.35404 
1 1 1   16    8  -28 f   18.732   5.8328  -5.3274  122.297 -193.7662  233.098   66.244  143.656   17.971   8.4988   19.492   7.9911 -1.521128 11.66562 
1 1 1   16    9  -28 o   14.223   4.9684 -394.2787  145.926 -376.5411  222.051 -407.7628  193.604   15.103   7.4129   13.342   6.6174 1.761136 9.936849 
1 1 1   16   10  -28 o   39.251   6.6637  508.068  148.921  371.319  190.571  722.550  238.667   32.615   9.5231   45.888   9.3236 -13.27251 13.32737 
1 1 1   16   11  -28 o   21.824   6.7386   63.650  124.165  -1.0433  328.716   74.417  134.100   24.366   10.998   19.281   7.7889 5.084660 13.47711 
1 1 1   16   12  -28 o   31.116   6.7460  257.255  154.213   10.039  198.186  636.656  245.518   20.089   8.8342   42.142   10.198 -22.05338 13.49207 
1 1 1   16   13  -28 o   28.187   7.3337  261.135  131.039  127.483  387.351  278.408  139.249   27.670   12.251   28.704   8.0655 -1.033773 14.66737 
1 1 1   16   14  -28 o   44.175   7.3679  745.275  174.488  796.012  203.258  603.130  340.210   49.984   7.0409   38.365   12.945 11.61903 14.73582 
1 1 1   16   15  -28 f   15.228   5.0536 -114.5556  110.259 -160.6317  179.982 -86.8755  139.501   15.675   7.4291   14.780   6.8531 0.8949738 10.10727 
1 1 1   16   16  -28 o   44.729   6.5061  696.531  161.001  687.629  259.254  702.119  205.411   43.097   10.510   46.361   7.6716 -3.264351 13.01214 
1 1 1   16   17  -28 o   34.080   7.2152  440.317  155.395  364.696  242.373  493.098  202.490   31.157   10.911   37.003   9.4435 -5.846416 14.43039 
1 1 1   16   18  -28 o   20.187   6.4319   19.269  133.999 -85.7524  310.134   43.375  148.583   21.822   10.152   18.553   7.9002 3.268820 12.86385 
1 1 1   16   19  -28 o   26.276   6.4426  232.243  129.260  352.126  176.807   94.603  189.450   31.079   9.2007   21.473   9.0210 9.605272 12.88527 
1 1 1   16   20  -28 o   93.829   4.4458  2816.63  235.330  2820.20  303.522  2811.26  372.621   94.931   5.5360   92.727   6.9578 2.203522 8.891516 
1 1 1   16   21  -28 o   43.326   6.4606  608.157  161.663  608.157  161.663   0.0000   0.0000   43.326   6.4606  ?   ?       ?      ? 
1 1 1   16   22  -28 o   29.088   6.9706  321.444  135.575  381.827  224.924  286.987  169.909   30.569   10.522   27.607   9.1456 2.962471 13.94119 
1 1 1   16    0  -29 o   24.755   9.3804  289.068  165.090  292.165  182.270  274.923  389.532   25.135   11.508   24.374   14.816 -0.000000 0.000000 
1 1 1   16    1  -29 o   52.887   4.3385  860.778  129.080  848.281  164.720  880.662  207.782   52.781   5.4036   52.993   6.7890 -0.2120628 8.676956 
1 1 1   16    2  -29 o   18.179   5.6812 -30.6828  123.768 -251.0483  219.052   72.659  150.008   16.438   7.9005   19.920   8.1662 -3.482513 11.36237 
1 1 1   16    3  -29 o   11.921   4.1995 -346.8460  107.605 -389.3553  138.787 -282.7819  170.378   10.382   5.2165   13.460   6.5826 -3.077640 8.398981 
1 1 1   16    4  -29 o   40.402   5.2945  462.972  114.394  338.488  136.234  760.571  210.643   32.012   7.4999   48.792   7.4751 -16.77943 10.58896 
1 1 1   16    5  -29 o   39.705   6.7020  559.386  150.397  498.157  237.364  600.455  194.400   36.993   10.578   42.417   8.2323 -5.424496 13.40400 
1 1 1   16    6  -29 o   38.883   5.3851  496.893  116.380  511.446  170.846  484.293  158.967   39.314   7.7998   38.453   7.4269 0.8606796 10.77011 
1 1 1   16    7  -29 o   48.398   5.3280  735.036  145.406  835.451  237.452  674.791  183.923   50.581   8.1284   46.216   6.8906 4.364326 10.65607 
1 1 1   16    8  -29 o   19.525   6.5841 -74.6984  131.348 -160.2130  389.971 -63.7560  139.498   23.692   11.139   15.359   7.0233 8.333124 13.16814 
1 1 1   16    9  -29 o   51.254   4.0989  831.872  115.180  893.890  145.934  729.413  187.573   54.449   4.6407   48.060   6.7577 6.388649 8.197777 
1 1 1   16   10  -29 o   21.249   5.9425  111.871  107.318   92.171  169.194  125.131  138.816   21.146   8.6711   21.351   8.1282 -0.2053375 11.88509 
1 1 1   16   11  -29 o   39.127   7.9313  475.024  143.867  784.593  390.360  426.366  154.761   42.565   13.851   35.690   7.7317 6.875420 15.86269 
1 1 1   16   12  -29 o   28.591   7.3033  285.060  140.852  172.774  345.514  307.440  154.251   27.381   11.858   29.801   8.5293 -2.420300 14.60651 
1 1 1   16   13  -29 o   15.426   5.4121 -417.1784  164.699 -434.4748  202.158 -383.0370  284.023   13.377   6.6559   17.474   8.5360 -4.096993 10.82425 
1 1 1   16   14  -29 o   29.600   7.1705  313.342  157.923  161.824  232.916  442.267  214.850   24.710   10.158   34.490   10.123 -9.779577 14.34110 
1 1 1   16   15  -29 f   17.167   5.9940 -275.1125  142.264 -106.5280  330.449 -313.4678  157.619   22.133   10.357   12.201   6.0370 9.931663 11.98795 
1 1 1   16   16  -29 o   48.858   5.4467  816.926  141.497  718.923  229.519  877.010  179.712   44.884   9.1640   52.832   5.8897 -7.947510 10.89348 
1 1 1   16   17  -29 o   21.664   6.5828   62.645  148.658  173.694  227.971 -19.5101  196.083   24.518   10.061   18.810   8.4920 5.708076 13.16564 
1 1 1   16   18  -29 o   44.487   6.0751  689.980  149.336  604.014  196.604  807.223  229.602   41.243   8.5351   47.730   8.6475 -6.486462 12.15022 
1 1 1   16   19  -29 o   57.845   5.9986  1237.31  159.860  1319.13  186.755  1013.02  309.206   65.220   4.9580   50.469   10.925 14.75131 11.99728 
1 1 1   16    0  -30 o   8.0479   5.9447 -649.4930  211.181 -649.4930  211.181   0.0000   0.0000   8.0479   5.9447   8.0479   5.9447 -0.000000 0.000000 
1 1 1   16    1  -30 o   16.990   5.6484 -136.4679  138.170 -168.0553  224.555 -117.2225  175.279   17.758   8.3807   16.222   7.5752 1.536486 11.29687 
1 1 1   16    2  -30 o   11.249   4.0320 -525.3771  120.662 -564.9067  155.654 -465.8529  191.005   9.9210   5.0448   12.578   6.2911 -2.657039 8.063989 
1 1 1   16    3  -30 o   40.606   5.5509  564.803  125.839  335.834  179.016  788.461  176.928   30.884   9.2843   50.327   6.0870 -19.44367 11.10181 
1 1 1   16    4  -30 o   37.548   8.2060  527.480  184.573  500.833  218.327  594.230  345.552   37.199   9.9628   37.897   13.042 -0.6978989 16.41201 
1 1 1   16    5  -30 o   54.914   4.8959  939.322  149.315  1039.51  252.053  885.153  185.335   56.494   7.7250   53.334   6.0168 3.160004 9.791729 
1 1 1   16    6  -30 o   26.405   6.1590  244.204  122.898  341.564  147.466   22.817  222.371   31.664   8.0471   21.147   9.3263 10.51658 12.31809 
1 1 1   16    7  -30 o   21.572   5.4233   98.875  107.954  265.974  137.764 -166.9838  173.770   27.930   8.0802   15.213   7.2360 12.71755 10.84662 
1 1 1   16    8  -30 o   48.812   5.5276  815.861  144.655  950.179  191.123  635.727  221.332   55.180   5.9971   42.443   9.2873 12.73720 11.05530 
1 1 1   16    9  -30 o   18.486   5.6011   38.122  102.127   42.667  124.846   28.928  177.555   17.503   7.3365   19.468   8.4655 -1.965105 11.20223 
1 1 1   16   10  -30 o   22.348   6.8990   85.901  138.720  109.344  150.514 -46.3441  357.488   20.907   8.3180   23.788   11.009 -2.880505 13.79799 
1 1 1   16   11  -30 o   28.504   6.8199  260.434  120.789  383.917  237.683  217.439  140.249   31.713   10.819   25.294   8.3057 6.419781 13.63973 
1 1 1   16   12  -30 o   30.910   6.8476  343.649  139.320  243.176  189.188  462.693  205.931   26.496   9.6004   35.324   9.7669 -8.827724 13.69523 
1 1 1   16   13  -30 o   17.584   5.4999   0.0437  110.534   37.658  143.047 -55.6973  174.136   18.044   7.7191   17.124   7.8365 0.9196587 10.99981 
1 1 1   16   14  -30 o   14.562   4.9001 -153.8765  113.138 -103.9319  163.041 -200.2637  157.127   15.542   7.2734   13.582   6.5684 1.959131 9.800284 
1 1 1   16   15  -30 o   15.075   5.2330 -280.7623  144.081 -363.6712  258.973 -243.5948  173.395   16.328   8.0126   13.821   6.7334 2.507586 10.46610 
1 1 1   16   16  -30 o   22.342   6.8174  113.632  130.845   61.217  337.977  122.872  141.911   23.955   10.945   20.730   8.1306 3.224695 13.63486 
1 1 1   16   17  -30 o   28.255   6.6354  299.766  135.697  430.018  189.519  162.743  194.382   33.455   9.4125   23.055   9.3550 10.40003 13.27071 
1 1 1   16    0  -31 o   29.201   9.2266  435.321  179.961  497.872  217.674  300.234  319.889   34.472   12.071   23.930   13.957 -0.000000 0.000000 
1 1 1   16    1  -31 o   27.578   6.7335  267.052  130.312  268.623  184.388  265.485  184.192   27.641   9.5262   27.514   9.5189 0.1270332 13.46693 
1 1 1   16    2  -31 o   54.736   6.0544  1037.14  180.350  1121.22  236.464  920.200  278.851   59.033   6.9356   50.439   9.9258 8.593868 12.10885 
1 1 1   16    3  -31 o   27.295   6.3059  218.652  119.062   96.843  150.023  425.911  195.693   20.414   8.2412   34.177   9.5467 -13.76294 12.61178 
1 1 1   16    4  -31 o   30.440   7.6782  354.511  173.035  250.447  303.962  404.403  210.466   27.981   11.564   32.899   10.104 -4.918089 15.35647 
1 1 1   16    5  -31 o   18.367   6.0836 -62.4783  130.347 -45.3138  144.606 -136.8636  301.032   15.918   7.2290   20.816   9.7868 -4.898668 12.16719 
1 1 1   16    6  -31 o   25.069   6.2163  190.816  114.836   97.626  150.653  320.054  177.413   20.399   8.2503   29.738   9.3007 -9.338997 12.43264 
1 1 1   16    7  -31 o   23.368   6.4386  158.387  128.393  219.766  174.978   86.790  188.980   25.458   9.2315   21.277   8.9778 4.181154 12.87723 
1 1 1   16    8  -31 o   35.308   6.6760  442.431  134.184  397.080  166.539  526.351  226.547   33.431   8.5818   37.185   10.229 -3.754349 13.35197 
1 1 1   16    9  -31 o   14.003   4.7555 -155.4088  106.025 -115.7263  128.232 -241.1562  188.499   13.308   6.2966   14.697   7.1282 -1.389085 9.510950 
1 1 1   16   10  -31 o   26.453   6.2887  226.617  108.910  170.710  132.981  340.510  189.803   22.780   8.0729   30.126   9.6446 -7.345911 12.57735 
1 1 1   16   11  -31 o   17.692   5.7336 -57.3674  133.635 -115.6214  190.478  -0.9004  187.534   16.617   7.8036   18.766   8.4023 -2.149551 11.46712 
1 1 1   16   12  -31 o   37.546   4.4681  456.996   94.100  441.914  125.130  476.628  142.761   37.315   5.8062   37.778   6.7929 -0.4628868 8.936170 
1 1 1   16   13  -31 o   20.845   6.2627   87.919  132.073   50.320  184.168  127.728  189.505   19.701   8.5933   21.988   9.1127 -2.287251 12.52540 
1 1 1   16    0  -32 o   17.940   8.5903 -49.7333  259.099 -177.2578  342.926  119.906  395.518   15.471   10.766   20.409   13.389 -0.000000 0.000000 
1 1 1   16    1  -32 o   30.980   6.8813  376.553  141.174  272.948  241.264  430.496  174.089   27.422   10.644   34.537   8.7248 -7.115480 13.76263 
1 1 1   16    2  -32 o   43.415   4.6754  612.019  112.733  489.088  154.163  753.306  165.272   38.035   7.2831   48.795   5.8647 -10.75911 9.350858 
1 1 1   16    3  -32 o   36.916   6.6884  633.325  153.548  123.433  397.672  722.662  166.457   26.191   11.931   47.641   6.0498 -21.44936 13.37684 
1 1 1   16    4  -32 o   18.058   5.8600 -50.4850  138.522 -82.3036  211.378 -26.5348  183.389   18.096   8.4062   18.019   8.1668 0.7656288E-01 11.72010 
1 1 1   16    5  -32 o   28.323   7.2352  305.477  145.070  323.031  165.016  245.748  304.390   29.624   8.9157   27.022   11.398 2.602076 14.47049 
1 1 1   16    6  -32 o   18.325   5.9355 -36.1870  133.107  -8.3328  232.191 -49.8216  162.451   20.142   9.1523   16.508   7.5600 3.633596 11.87094 
1 1 1   16    7  -32 o   14.743   5.0239 -196.9432  127.271 -201.3913  179.736 -192.4701  180.241   14.665   7.0756   14.820   7.1339 -0.1548195 10.04773 
1 1 1   16    8  -32 o   36.697   6.3007  532.557  131.902  386.808  241.174  594.758  157.555   30.611   10.869   42.784   6.3762 -12.17321 12.60139 
1 1 1   16    9  -32 o   20.563   6.3105   46.090  143.607 -69.1279  198.934  171.466  207.519   17.607   8.1708   23.520   9.6191 -5.913301 12.62098 
1 1 1   17    0    0 -   33.140   8.6857  383.888  191.900  748.697  291.343  104.326  255.042   46.498   12.553   19.783   12.008 -0.000000 0.000000 
1 1 1   17    1    0 o   35.157   14.467  505.563  290.690  505.563  290.690   0.0000   0.0000   35.157   14.467   35.157   14.467 -0.000000 0.000000 
1 1 1   17    2    0 o   20.014   11.142  159.073  191.019   0.0000   0.0000  159.073  191.019   20.014   11.142   20.014   11.142 -0.000000 0.000000 
1 1 1   17    3    0 o   11.449   5.8061 -435.9633  179.471 -637.9542  257.649 -245.5772  250.138   9.9105   7.2470   12.988   9.0732 -0.000000 0.000000 
1 1 1   17    4    0 o   51.605   7.7497  870.788  195.471  550.643  260.019  1286.85  296.421   38.129   13.123   65.080   8.2470 -0.000000 0.000000 
1 1 1   17    5    0 o   17.897   7.7758   75.914  151.014   73.293  190.468   80.350  247.805   16.924   10.322   18.870   11.632 -0.000000 0.000000 
1 1 1   17    6    0 o   11.878   6.0364 -456.3735  184.510 -231.3900  278.289 -632.8530  246.473   14.197   9.8363   9.5585   7.0000 -0.000000 0.000000 
1 1 1   17    7    0 o  106.677   3.5942  3407.62  213.900  3947.61  287.656  2739.76  319.910  116.595   4.2849   96.758   5.7718 -0.000000 0.000000 
1 1 1   17    8    0 o   40.958   12.070  599.540  248.153   0.0000   0.0000  599.540  248.153   40.958   12.070   40.958   12.070 -0.000000 0.000000 
1 1 1   17    9    0 o   54.919   6.2519  939.582  182.153  957.857  270.160  924.350  246.648   55.251   9.2442   54.587   8.4195 -0.000000 0.000000 
1 1 1   17   10    0 o   49.261   8.4323  872.019  204.107  1089.61  273.454  598.301  306.702   59.541   8.4420   38.982   14.599 -0.000000 0.000000 
1 1 1   17   11    0 o  108.970   3.1682  3459.71  198.015  3347.69  288.619  3559.32  272.176  107.257   4.6795  110.682   4.2723 -0.000000 0.000000 
1 1 1   17   12    0 o   63.902   4.4288  1199.49  155.007  1148.22  195.012  1287.45  255.451   62.247   5.5246   65.557   6.9235 -0.000000 0.000000 
1 1 1   17   13    0 o   87.252   4.6689  2484.28  204.683  3181.97  266.320  1477.44  319.930  104.594   4.4268   69.910   8.2218 -0.000000 0.000000 
1 1 1   17   14    0 o   64.284   5.0105  1217.78  183.425  1217.78  183.425   0.0000   0.0000   64.284   5.0105   64.284   5.0105 -0.000000 0.000000 
1 1 1   17   15    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   16    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   17    0 o  134.128   3.5991  5213.16  278.347   0.0000   0.0000  5213.16  278.347  134.128   3.5991  134.128   3.5991 -0.000000 0.000000 
1 1 1   17   18    0 o   67.102   5.2138  1327.26  199.253   0.0000   0.0000  1327.26  199.253   67.102   5.2138   67.102   5.2138 -0.000000 0.000000 
1 1 1   17   19    0 o   56.031   5.5537  1006.84  155.885  1150.27  202.162  796.500  244.822   62.226   5.7374   49.837   9.5108 -0.000000 0.000000 
1 1 1   17   20    0 o   12.151   8.5612 -273.3366  237.358   0.0000   0.0000 -273.3366  237.358   12.151   8.5612   12.151   8.5612 -0.000000 0.000000 
1 1 1   17   21    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   22    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   23    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   24    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   25    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   26    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   27    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   28    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   29    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   30    0 o  ?   ?  -1211.6820  303.081 -1211.6820  303.081   0.0000   0.0000  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   17   31    0 o   13.996   9.8242 -298.5418  303.529 -298.5418  303.529   0.0000   0.0000   13.996   9.8242   13.996   9.8242 -0.000000 0.000000 
1 1 1   17   32    0 o   77.461   6.9917  1815.41  306.930  1815.41  306.930   0.0000   0.0000   77.461   6.9917   77.461   6.9917 -0.000000 0.000000 
1 1 1   17   33    0 o   81.349   7.5210  2021.95  346.415  2021.95  346.415   0.0000   0.0000   81.349   7.5210   81.349   7.5210 -0.000000 0.000000 
1 1 1   17   34    0 o   60.464   6.1545  1142.35  199.195  1352.72  314.010  1000.69  257.677   65.172   8.7930   55.757   8.6137 -0.000000 0.000000 
1 1 1   17   35    0 o   10.185   5.5075 -422.1063  117.090 -250.9460  312.932 -449.9708  126.262   14.437   10.099   5.9325   4.3973 -0.000000 0.000000 
1 1 1   17   36    0 o   9.8372   5.2945 -281.8956  104.881 -502.5826  348.643 -259.9370  109.975   13.157   9.4577   6.5170   4.7622 -0.000000 0.000000 
1 1 1   17   37    0 o   14.696   6.5641 -30.9055   98.237  202.011  211.076 -95.3069  110.990   20.651   11.629   8.7403   6.0918 -0.000000 0.000000 
1 1 1   17   38    0 o   13.462   5.8317   18.485  104.054 -256.9371  196.634  125.608  122.631   10.334   7.3739   16.589   9.0366 -0.000000 0.000000 
1 1 1   17   39    0 o   17.278   5.0645   82.312   90.203 -331.9597  164.391  260.772  107.896   8.3093   6.0422   26.246   8.1294 -0.000000 0.000000 
1 1 1   17   40    0 o   26.084   5.4423  276.927   86.423  111.388  123.933  433.620  120.576   15.710   8.8852   36.459   6.2872 -0.000000 0.000000 
1 1 1   17   41    0 o   10.300   4.8597 -50.2441   83.134 -148.6821  120.202   40.019  115.103   8.2371   5.8579   12.364   7.7558 -0.000000 0.000000 
1 1 1   17    0   -1 o   76.189   4.1956  1813.62  157.442  1498.25  294.477  1939.85  186.306   70.755   7.3908   81.623   3.9736 -0.000000 0.000000 
1 1 1   17    1   -1 o   73.433   4.3667  1638.99  164.618  1403.27  302.759  1737.93  196.145   69.404   7.5531   77.463   4.3843 -8.058914 8.733370 
1 1 1   17    2   -1 o   84.690   3.9907  2076.33  195.193  2076.33  195.193   0.0000   0.0000   84.690   3.9907  ?   ?       ?      ? 
1 1 1   17    3   -1 o   72.466   4.0648  1563.26  163.994  1699.73  211.642  1358.21  259.432   76.583   4.7850   68.349   6.5721 8.233292 8.129512 
1 1 1   17    4   -1 f   75.599   3.7248  1599.38  156.888  1876.38  266.674  1452.76  194.017   80.398   5.7432   70.801   4.7448 9.596451 7.449617 
1 1 1   17    5   -1 o   66.488   4.1063  1286.62  149.035  1274.07  256.053  1293.04  183.280   66.183   6.6989   66.794   4.7511 -0.6110840 8.212669 
1 1 1   17    6   -1 o   39.070   7.2170  458.433  156.850   0.0000   0.0000  458.433  156.850  ?   ?    39.070   7.2170      ?      ? 
1 1 1   17    7   -1 o  ?   ?  -1351.5570  156.518   0.0000   0.0000 -1351.5570  156.518  ?   ?   ?   ?       ?      ? 
1 1 1   17    8   -1 f  173.282   2.2707  8668.08  226.797  8413.23  309.427  8963.92  333.389  170.543   3.1415  176.022   3.2794 -5.479599 4.541349 
1 1 1   17    9   -1 o   66.894   3.6854  1297.33  142.125  1316.03  207.992  1280.95  194.659   67.337   5.3482   66.451   5.0721 0.8867035 7.370839 
1 1 1   17   10   -1 o   23.325   6.7702   70.990  136.895  137.375  152.992 -195.6155  306.597   23.810   8.6324   22.840   10.432 0.9692764 13.54041 
1 1 1   17   11   -1 o  157.225   2.3759  7145.83  215.745  7145.83  215.745   0.0000   0.0000  157.225   2.3759  ?   ?       ?      ? 
1 1 1   17   12   -1 o  109.743   3.0918  3489.91  194.715  3495.07  292.381  3485.79  261.018  109.794   4.6109  109.692   4.1201 0.1015701 6.183512 
1 1 1   17   13   -1 o   68.677   4.6473  1360.35  165.620  1402.98  314.689  1344.03  194.778   69.291   7.8635   68.062   4.9551 1.229767 9.294505 
1 1 1   17   14   -1 o  101.216   3.4091  3019.20  195.664  2658.49  295.071  3302.29  261.399   95.683   5.3396  106.750   4.2398 -11.06750 6.818174 
1 1 1   17   15   -1 o   53.114   5.6494  826.357  172.948  876.371  242.860  774.895  246.350   54.772   7.6773   51.455   8.2897 3.317547 11.29871 
1 1 1   17   16   -1 o   26.005   7.5739   64.667  184.547  125.538  241.603 -20.5970  285.943   26.895   10.590   25.114   10.831 1.780954 15.14788 
1 1 1   17   17   -1 o   83.303   6.8263  2022.97  328.420  2022.97  328.420   0.0000   0.0000   83.303   6.8263  ?   ?       ?      ? 
1 1 1   17   18   -1 o  156.180   2.8226  7082.27  253.986  6789.46  367.251  7350.71  351.637  153.057   4.1546  159.302   3.8220 -6.244965 5.645162 
1 1 1   17   19   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   20   -1 o   35.241   11.631  355.674  274.897  355.674  274.897   0.0000   0.0000   35.241   11.631  ?   ?       ?      ? 
1 1 1   17   21   -1 o   18.133   8.5648 -263.3075  235.413 -263.3075  235.413   0.0000   0.0000   18.133   8.5648  ?   ?       ?      ? 
1 1 1   17   22   -1 o   30.427   10.736  244.432  234.945  244.432  234.945   0.0000   0.0000   30.427   10.736  ?   ?       ?      ? 
1 1 1   17   23   -1 o   69.574   5.9207  1411.75  237.908  1411.75  237.908   0.0000   0.0000   69.574   5.9207  ?   ?       ?      ? 
1 1 1   17   24   -1 f   43.765   9.3509  588.555  229.182  588.555  229.182   0.0000   0.0000   43.765   9.3509  ?   ?       ?      ? 
1 1 1   17   25   -1 o   56.583   6.9039  939.776  225.614  939.776  225.614   0.0000   0.0000   56.583   6.9039  ?   ?       ?      ? 
1 1 1   17   26   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   27   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   28   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   29   -1 o  105.222   5.6015  3257.53  340.405   0.0000   0.0000  3257.53  340.405  ?   ?   105.222   5.6015      ?      ? 
1 1 1   17   30   -1 o   16.353   7.9666 -734.5704  192.804 -407.7794  242.694 -1293.6870  317.449   16.353   7.9666  ?   ?       ?      ? 
1 1 1   17   31   -1 o   87.540   3.6676  2209.68  158.018  2162.14  180.363  2366.68  327.761   86.056   3.6290   89.025   6.3747 -2.969749 7.335258 
1 1 1   17   32   -1 o   12.172   6.0842 -460.7829  177.316 -460.7829  177.316   0.0000   0.0000   12.172   6.0842  ?   ?       ?      ? 
1 1 1   17   33   -1 o   47.656   6.9078  664.182  171.479  524.594  202.327  1020.14  323.093   40.058   8.9687   55.253   10.509 -15.19548 13.81568 
1 1 1   17   34   -1 o   24.111   7.2753   80.905  169.779  125.348  198.866 -38.5675  326.058   23.803   9.5308   24.420   10.995 -0.6174431 14.55057 
1 1 1   17   35   -1 o   27.831   6.9717  257.592  125.275  291.687  133.490   5.8787  362.708   29.802   7.7005   25.860   11.624 3.941570 13.94333 
1 1 1   17   36   -1 o   17.004   5.7445 -70.8089   99.346 -191.6542  300.435 -55.9727  105.268   20.668   9.7357   13.339   6.1001 7.329495 11.48892 
1 1 1   17   37   -1 o   18.889   4.8212   88.003   76.049  166.400   98.611 -27.0585  119.465   22.707   6.9053   15.071   6.7299 7.636137 9.642320 
1 1 1   17   38   -1 o   20.578   7.2272  128.563  106.368  128.563  106.368   0.0000   0.0000   20.578   7.2272  ?   ?       ?      ? 
1 1 1   17   39   -1 o   18.624   5.2886   49.620   81.239   5.3600   96.365  158.358  151.042   14.490   6.2686   22.758   8.5195 -8.268051 10.57721 
1 1 1   17   40   -1 o   45.347   3.9146  626.485  100.975  748.682  160.749  546.844  129.774   48.794   5.7043   41.900   5.3627 6.893391 7.829236 
1 1 1   17   41   -1 o   17.977   5.1233   64.412   82.517   17.245  108.533  129.027  127.031   15.419   6.6616   20.535   7.7856 -5.115879 10.24653 
1 1 1   17    0   -2 o   32.025   14.499  435.124  288.976  435.124  288.976   0.0000   0.0000   32.025   14.499   32.025   14.499 -0.000000 0.000000 
1 1 1   17    1   -2 o  116.220   2.7554  3841.02  169.149  3743.92  200.670  4079.33  314.379  113.781   3.0537  118.660   4.5874 -4.878799 5.510826 
1 1 1   17    2   -2 o  136.352   2.4242  5328.89  178.234  5517.35  317.253  5241.98  215.449  138.053   3.9790  134.650   2.7705 3.403000 4.848486 
1 1 1   17    3   -2 o   73.153   4.8171  1587.94  197.907  1402.01  307.637  1719.22  258.499   69.354   7.6804   76.953   5.8163 -7.598663 9.634184 
1 1 1   17    4   -2 o   71.556   3.0695  1486.58  124.786  1463.32  194.031  1502.99  162.957   71.058   4.7280   72.055   3.9158 -0.9975052 6.139004 
1 1 1   17    5   -2 o  171.046   1.7128  8452.59  169.065  8551.51  244.750  8362.32  233.812  172.000   2.4638  170.092   2.3801 1.907654 3.425691 
1 1 1   17    6   -2 o   14.456   5.1463 -828.5226  192.034 -769.3014  251.834 -910.7997  296.835   13.880   6.9814   15.031   7.5630 -1.151317 10.29268 
1 1 1   17    7   -2 o   44.243   6.2878  593.119  153.282  623.592  195.640  544.675  246.672   46.259   7.3228   42.228   10.224 4.030865 12.57557 
1 1 1   17    8   -2 o   38.238   7.1635  436.415  151.672  455.885  275.958  427.987  181.552   38.951   11.485   37.526   8.5656 1.424515 14.32702 
1 1 1   17    9   -2 o  100.803   2.9150  2957.79  158.167  2983.99  192.103  2902.67  278.689  101.556   3.2752  100.051   4.8230 1.504974 5.829938 
1 1 1   17   10   -2 o   47.556   7.5306  659.853  206.834  659.853  206.834   0.0000   0.0000   47.556   7.5306  ?   ?       ?      ? 
1 1 1   17   11   -2 o   93.650   4.7993  2543.47  259.577   0.0000   0.0000  2543.47  259.577  ?   ?    93.650   4.7993      ?      ? 
1 1 1   17   12   -2 o   35.187   11.656  350.938  276.007  350.938  276.007   0.0000   0.0000   35.187   11.656  ?   ?       ?      ? 
1 1 1   17   13   -2 o   16.456   5.7200 -575.7587  182.991 -774.8588  244.756 -323.4091  275.549   13.488   6.7969   19.424   9.2019 -5.935520 11.43996 
1 1 1   17   14   -2 o   32.204   8.0175  263.540  196.412   46.465  317.115  398.643  250.175   27.887   11.691   36.522   10.975 -8.635527 16.03494 
1 1 1   17   15   -2 o   17.583   8.4258 -342.4173  245.050   0.0000   0.0000 -342.4173  245.050  ?   ?    17.583   8.4258      ?      ? 
1 1 1   17   16   -2 o   50.941   10.080  789.979  286.049  789.979  286.049   0.0000   0.0000   50.941   10.080  ?   ?       ?      ? 
1 1 1   17   17   -2 o   55.622   6.1570  900.328  197.786  900.328  197.786   0.0000   0.0000   55.622   6.1570  ?   ?       ?      ? 
1 1 1   17   18   -2 f  123.396   3.0299  4342.03  210.378  4725.95  344.213  4113.11  265.800  127.635   4.6695  119.158   3.8623 8.476440 6.059854 
1 1 1   17   19   -2 o   88.128   3.5711  2280.40  178.844  1819.53  253.471  2737.30  252.381   79.111   5.5476   97.145   4.4983 -18.03383 7.142207 
1 1 1   17   20   -2 o   39.921   6.4992  469.432  170.422  854.089  242.311   92.901  239.738   54.008   7.7683   25.834   10.422 28.17470 12.99850 
1 1 1   17   21   -2 o   83.812   3.7825  2098.95  176.882  1508.98  253.840  2655.82  246.615   71.958   6.1079   95.666   4.4635 -23.70831 7.565032 
1 1 1   17   22   -2 o   60.469   6.8002  1068.78  237.484   0.0000   0.0000  1068.78  237.484  ?   ?    60.469   6.8002      ?      ? 
1 1 1   17   23   -2 o   64.372   6.3004  1210.22  234.234   0.0000   0.0000  1210.22  234.234  ?   ?    64.372   6.3004      ?      ? 
1 1 1   17   24   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   25   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   26   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   27   -2 o   83.056   6.3836  2028.55  306.214   0.0000   0.0000  2028.55  306.214  ?   ?    83.056   6.3836      ?      ? 
1 1 1   17   28   -2 o   99.386   3.9097  2885.61  218.216  2845.77  277.123  2950.62  354.016   98.664   4.8633  100.109   6.1230 -1.444824 7.819385 
1 1 1   17   29   -2 o   16.682   8.2477 -1008.8410  220.641 -623.8154  292.059 -1520.7560  336.763   16.682   8.2477  ?   ?       ?      ? 
1 1 1   17   30   -2 o  145.373   2.9091  6168.33  242.117  6112.46  321.254  6241.77  368.371  144.723   3.8435  146.023   4.3680 -1.299484 5.818206 
1 1 1   17   31   -2 o   17.392   6.0494 -554.8474  210.319 -469.1344  272.404 -681.3572  330.942   17.059   8.3389   17.724   8.7660 -0.6648865 12.09879 
1 1 1   17   32   -2 o   39.222   8.8026  465.963  219.154  316.856  269.587  756.499  376.314   32.158   11.484   46.286   13.344 -14.12851 17.60520 
1 1 1   17   33   -2 o   23.068   7.4840 -166.9339  228.437 -315.6577  309.297   11.554  338.837   20.088   9.5824   26.047   11.499 -5.958763 14.96799 
1 1 1   17   34   -2 o   54.217   6.9389  1102.41  179.800  1253.77  212.137  716.347  338.803   64.391   5.7043   44.043   12.651 20.34859 13.87781 
1 1 1   17   35   -2 o   26.850   7.2955  151.070  104.501  128.087  109.954  365.679  335.993   20.920   7.3479   32.780   12.606 -11.85992 14.59092 
1 1 1   17   36   -2 o   33.157   8.3584  398.312  216.916  555.468  285.104  182.299  334.255   38.323   11.758   27.991   11.882 10.33160 16.71681 
1 1 1   17   37   -2 o   25.995   5.1300  220.187   81.242  166.720  111.426  280.869  118.707   22.800   7.3992   29.190   7.1078 -6.389910 10.26002 
1 1 1   17   38   -2 o   15.532   4.5501   16.051   73.723 -126.7886  128.237   86.566   90.101   13.214   6.2651   17.851   6.6002 -4.636524 9.100202 
1 1 1   17   39   -2 o   23.560   5.4568  184.784   85.476  193.777  112.924  172.719  130.798   24.065   7.4029   23.055   8.0189 1.010044 10.91352 
1 1 1   17   40   -2 o   24.959   4.9028  186.252   70.836  303.275  125.607  131.677   85.778   29.743   7.3537   20.174   6.4863 9.568918 9.805539 
1 1 1   17   41   -2 o   27.669   4.5496  257.025   70.302  261.538  111.113  254.012   90.783   27.551   6.9760   27.788   5.8421 -0.2366257 9.099187 
1 1 1   17    0   -3 o  ?   ?  -1208.0070  202.772 -1208.0070  202.772   0.0000   0.0000  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   17    1   -3 o   36.626   7.0353  350.890  157.538  180.905  197.683  646.731  260.791   27.167   9.8182   46.084   10.079 -18.91716 14.07065 
1 1 1   17    2   -3 o  131.552   2.7813  5003.67  211.312   0.0000   0.0000  5003.67  211.312  ?   ?   131.552   2.7813      ?      ? 
1 1 1   17    3   -3 o   14.901   5.2330 -536.9757  155.025 -652.8257  196.682 -346.9442  251.901   11.889   6.0033   17.913   8.5731 -6.024714 10.46599 
1 1 1   17    4   -3 o   91.814   3.3938  2484.65  162.194  2541.31  192.791  2347.40  300.038   93.713   3.5621   89.915   5.7777 3.798103 6.787532 
1 1 1   17    5   -3 o  115.558   2.6872  3887.49  167.747  3802.60  293.359  3928.73  204.474  114.565   4.4336  116.551   3.0376 -1.985390 5.374428 
1 1 1   17    6   -3 o   85.307   3.3729  2056.86  155.835  2260.21  278.650  1964.32  187.979   88.247   5.4673   82.367   3.9516 5.879761 6.745833 
1 1 1   17    7   -3 o   94.535   3.8514  2617.17  207.480  2430.28  313.547  2762.74  276.732   91.460   5.9359   97.609   4.9089 -6.148895 7.702723 
1 1 1   17    8   -3 o  ?   ?  -920.9260  201.143 -920.9260  201.143   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   17    9   -3 o   22.008   8.4309   96.503  149.939   0.0000   0.0000   96.503  149.939  ?   ?    22.008   8.4309      ?      ? 
1 1 1   17   10   -3 o   78.988   4.1481  1839.49  186.225  1618.37  278.367  2018.63  250.548   74.575   6.4630   83.401   5.2016 -8.825531 8.296206 
1 1 1   17   11   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   12   -3 f   32.555   9.5464  316.998  191.139  316.998  191.139   0.0000   0.0000   32.555   9.5464  ?   ?       ?      ? 
1 1 1   17   13   -3 o   97.615   3.1810  2816.45  166.724  2916.66  203.548  2612.15  290.630  100.380   3.5110   94.851   5.3054 5.529335 6.361938 
1 1 1   17   14   -3 o   20.710   6.8041 -229.7436  193.473 -371.4591  317.733 -146.2350  243.904   20.845   9.8769   20.574   9.3610 0.2707005 13.60816 
1 1 1   17   15   -3 o   99.193   3.5336  2926.95  196.617  2484.12  302.256  3251.78  258.874   92.456   5.6605  105.929   4.2314 -13.47278 7.067260 
1 1 1   17   16   -3 o   94.644   3.3366  2592.48  182.385  2592.48  182.385   0.0000   0.0000   94.644   3.3366  ?   ?       ?      ? 
1 1 1   17   17   -3 o   64.640   5.2378  1279.06  163.294  1111.72  330.783  1332.98  187.769   61.500   9.3129   67.781   4.7966 -6.281212 10.47555 
1 1 1   17   18   -3 o  113.900   3.3015  3797.76  208.399  3639.53  343.652  3889.80  262.091  111.929   5.3161  115.872   3.9164 -3.943001 6.602972 
1 1 1   17   19   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   20   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   21   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   22   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   23   -3 o   65.195   4.6527  1235.13  175.188  1235.13  175.188   0.0000   0.0000   65.195   4.6527  ?   ?       ?      ? 
1 1 1   17   24   -3 o   62.718   5.8018  1251.55  185.239  963.537  314.989  1403.82  229.029   56.076   10.097   69.361   5.7173 -13.28521 11.60365 
1 1 1   17   25   -3 o   59.347   9.0153  1046.53  309.001  1046.53  309.001   0.0000   0.0000   59.347   9.0153  ?   ?       ?      ? 
1 1 1   17   26   -3 o  103.565   4.3804  3153.14  255.789  2319.56  351.414  4092.43  373.032   88.790   6.8528  118.339   5.4580 -29.54911 8.760750 
1 1 1   17   27   -3 o  119.040   3.9027  4301.44  257.871  5307.97  351.533  3128.80  379.433  134.948   4.5104  103.133   6.3702 31.81451 7.805304 
1 1 1   17   28   -3 o  100.236   4.0020  2960.35  230.885  2782.36  333.503  3124.18  319.959   97.248   5.9379  103.223   5.3670 -5.975075 8.003946 
1 1 1   17   29   -3 o   51.069   7.5917  802.720  233.350  314.361  312.355  1419.52  351.035   33.688   12.316   68.449   8.8797 -34.76017 15.18332 
1 1 1   17   30   -3 o   56.797   7.5048  1136.64  229.869  1558.67  303.432  568.221  352.148   72.072   7.2897   41.521   13.121 30.55133 15.00967 
1 1 1   17   31   -3 o   30.203   7.4222   76.173  223.965  579.850  290.936 -656.4853  350.891   41.686   11.639   18.719   9.2136 22.96699 14.84435 
1 1 1   17   32   -3 o   41.993   9.8702  579.880  235.337  579.880  235.337   0.0000   0.0000   41.993   9.8702  ?   ?       ?      ? 
1 1 1   17   33   -3 o   65.301   5.8304  1267.68  214.021  1031.70  268.232  1681.14  355.048   57.468   8.0816   73.133   8.4060 -15.66456 11.66072 
1 1 1   17   34   -3 o   54.740   7.4910  1016.34  225.774  949.917  294.884  1110.42  350.976   53.023   9.9960   56.457   11.160 -3.433578 14.98191 
1 1 1   17   35   -3 o   44.877   7.1171  738.994  149.346  770.291  165.607  602.698  345.602   50.277   5.7032   39.478   13.042 10.79977 14.23423 
1 1 1   17   36   -3 o   57.812   5.3211  893.803  107.868  851.163  113.127  1320.72  357.955   53.617   3.6533   62.007   9.9955 -8.390102 10.64220 
1 1 1   17   37   -3 f   28.578   7.7093  221.968  183.618   57.618  239.093  458.264  286.688   22.614   9.8285   34.542   11.880 -11.92779 15.41853 
1 1 1   17   38   -3 o   13.496   6.0863 -34.7814  100.401 -34.7814  100.401   0.0000   0.0000   13.496   6.0863  ?   ?       ?      ? 
1 1 1   17   39   -3 o   11.045   3.7859 -164.3686   69.024 -65.2751  114.377 -221.1268   86.563   13.570   6.2615   8.5195   4.2573 5.050811 7.571700 
1 1 1   17   40   -3 o   14.903   4.6058 -40.5927   74.393   85.248  127.118 -106.1419   91.744   18.928   7.6055   10.878   5.1972 8.050232 9.211630 
1 1 1   17    0   -4 o   22.113   8.2453 -111.5958  193.889  478.432  295.541 -557.4308  256.903   33.831   14.657   10.394   7.5577 -0.000000 0.000000 
1 1 1   17    1   -4 o   15.372   5.1943 -251.3033  129.999 -289.0344  185.723 -215.0603  182.024   14.920   7.1971   15.825   7.4916 -0.9044313 10.38859 
1 1 1   17    2   -4 o   72.601   3.8406  1489.75  155.943  1381.26  194.453  1685.28  261.046   69.027   4.8777   76.175   5.9337 -7.148102 7.681142 
1 1 1   17    3   -4 o   62.941   4.0322  1067.21  135.007  952.958  158.723  1366.15  256.743   57.337   4.7931   68.544   6.4855 -11.20659 8.064487 
1 1 1   17    4   -4 o   38.887   6.7261  493.889  159.787  656.709  200.280  208.776  265.029   47.477   7.3042   30.298   11.296 17.17905 13.45217 
1 1 1   17    5   -4 o   58.030   5.5552  985.588  184.987  852.860  260.149  1121.34  263.099   54.028   8.3372   62.032   7.3438 -8.004074 11.11036 
1 1 1   17    6   -4 o   80.506   4.2594  1877.46  198.044  1877.46  198.044   0.0000   0.0000   80.506   4.2594  ?   ?       ?      ? 
1 1 1   17    7   -4 o   56.141   6.3138  990.327  184.598  1787.18  273.815  326.392  249.937   78.418   6.0458   33.864   11.086 44.55421 12.62753 
1 1 1   17    8   -4 o   80.688   4.0028  1888.83  185.733  1912.65  276.522  1869.25  250.704   81.131   5.9014   80.245   5.4095 0.8860931 8.005582 
1 1 1   17    9   -4 o   55.210   5.9649  885.944  190.199   0.0000   0.0000  885.944  190.199  ?   ?    55.210   5.9649      ?      ? 
1 1 1   17   10   -4 o   16.081   5.5668 -485.9834  173.019 -362.1357  249.548 -600.6279  240.097   17.576   8.4437   14.586   7.2569 2.990083 11.13365 
1 1 1   17   11   -4 o   34.889   9.4916  369.188  196.339  369.188  196.339   0.0000   0.0000   34.889   9.4916  ?   ?       ?      ? 
1 1 1   17   12   -4 o   49.139   6.0937  702.256  172.939  702.256  172.939   0.0000   0.0000   49.139   6.0937  ?   ?       ?      ? 
1 1 1   17   13   -4 o   50.493   6.8442  711.793  191.282  1048.60  317.484  519.862  239.665   59.769   9.1973   41.216   10.138 18.55262 13.68843 
1 1 1   17   14   -4 o   72.528   4.0992  1529.81  171.387  1413.01  240.852  1649.61  243.932   69.706   5.9826   75.349   5.6054 -5.642349 8.198319 
1 1 1   17   15   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   16   -4 o  163.999   2.4635  7771.14  233.083  7311.29  322.299  8275.35  337.484  158.919   3.5115  169.079   3.4560 -10.15977 4.926971 
1 1 1   17   17   -4 o  136.049   3.0514  5365.91  238.103  5363.98  358.370  5367.44  318.587  135.996   4.5627  136.102   4.0530 -0.1058350 6.102879 
1 1 1   17   18   -4 o   52.350   6.7580  799.181  204.325  799.181  204.325   0.0000   0.0000   52.350   6.7580  ?   ?       ?      ? 
1 1 1   17   19   -4 o  107.507   3.4282  3354.82  212.831  3280.03  299.306  3431.31  302.698  106.291   4.8756  108.721   4.8207 -2.430084 6.856452 
1 1 1   17   20   -4 o  115.108   2.7383  3777.14  170.440  3666.54  205.969  4017.37  303.561  112.546   3.1687  117.669   4.4668 -5.122864 5.476623 
1 1 1   17   21   -4 o   60.348   8.3279  1070.23  290.261  1070.23  290.261   0.0000   0.0000   60.348   8.3279  ?   ?       ?      ? 
1 1 1   17   22   -4 o   94.990   5.3483  2626.05  293.415  2626.05  293.415   0.0000   0.0000   94.990   5.3483  ?   ?       ?      ? 
1 1 1   17   23   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   24   -4 o   27.965   11.768   50.766  323.336   0.0000   0.0000   50.766  323.336  ?   ?    27.965   11.768      ?      ? 
1 1 1   17   25   -4 o   20.452   6.8135 -331.9523  203.153 -446.9811  262.797 -161.1320  320.249   17.144   8.3381   23.761   10.778 -6.617195 13.62697 
1 1 1   17   26   -4 o   60.785   11.075  1150.67  374.490   0.0000   0.0000  1150.67  374.490  ?   ?    60.785   11.075      ?      ? 
1 1 1   17   27   -4 o  101.104   6.5635  3012.12  383.257   0.0000   0.0000  3012.12  383.257  ?   ?   101.104   6.5635      ?      ? 
1 1 1   17   28   -4 o   70.477   4.8279  1566.27  168.037  1278.18  321.738  1674.32  197.047   65.231   8.5401   75.722   4.5057 -10.49102 9.655752 
1 1 1   17   29   -4 o   59.713   7.7180  1184.79  250.850  1546.92  340.898  757.151  370.454   71.637   8.2395   47.790   13.053 23.84754 15.43602 
1 1 1   17   30   -4 o   21.054   6.9615 -561.1755  242.849   31.556  323.832 -1322.9010  367.105   26.763   11.535   15.345   7.7976 11.41729 13.92301 
1 1 1   17   31   -4 o   13.042   6.4752 -432.0279  187.260   0.0000   0.0000 -432.0279  187.260  ?   ?    13.042   6.4752      ?      ? 
1 1 1   17   32   -4 o   32.890   7.7875  219.497  235.508  685.147  308.807 -427.8231  364.097   44.640   11.799   21.140   10.167 23.50017 15.57508 
1 1 1   17   33   -4 o   35.545   6.4682  164.175  232.554  994.519  303.186 -1022.5540  362.456   54.715   9.9614   16.374   8.2535 38.34090 12.93636 
1 1 1   17   34   -4 o   23.990   5.9580  173.301   95.690  132.298  193.134  186.642  110.162   23.754   9.4312   24.226   7.2832 -0.4723568 11.91608 
1 1 1   17   35   -4 o   62.709   6.2132  1170.95  209.520  861.191  254.836  1817.14  368.072   50.664   9.0408   74.755   8.5253 -24.09098 12.42647 
1 1 1   17   36   -4 o   26.440   6.2765  249.011  123.869  326.249  136.338 -116.2512  296.485   31.351   7.6071   21.529   9.9854 9.821665 12.55295 
1 1 1   17   37   -4 o   17.394   5.6624 -50.2783  118.527   11.014  131.844 -308.5373  270.637   16.919   7.3259   17.868   8.6361 -0.9491444 11.32474 
1 1 1   17   38   -4 o   36.615   5.4873  413.595  116.038  413.595  116.038   0.0000   0.0000   36.615   5.4873  ?   ?       ?      ? 
1 1 1   17   39   -4 o   15.050   6.6623 -11.6063  114.520 -11.6063  114.520   0.0000   0.0000   15.050   6.6623  ?   ?       ?      ? 
1 1 1   17   40   -4 f   14.994   4.7812 -76.7201   98.467   52.402  121.352 -325.5822  168.471   17.426   7.2628   12.562   6.2203 4.863827 9.562458 
1 1 1   17    0   -5 o   12.970   9.0926 -270.8310  257.741   0.0000   0.0000 -270.8310  257.741   12.970   9.0926   12.970   9.0926 -0.000000 0.000000 
1 1 1   17    1   -5 o   69.900   3.9723  1397.36  152.131  1354.04  186.219  1484.29  263.788   68.349   4.7174   71.450   6.3924 -3.101105 7.944651 
1 1 1   17    2   -5 o   65.086   4.5222  1235.61  161.182  1244.18  198.998  1219.27  274.830   65.487   5.2615   64.685   7.3565 0.8017654 9.044414 
1 1 1   17    3   -5 o  146.509   2.5196  6205.10  213.194  6205.10  213.194   0.0000   0.0000  146.509   2.5196  ?   ?       ?      ? 
1 1 1   17    4   -5 o   54.234   6.3703  855.291  199.537  855.291  199.537   0.0000   0.0000   54.234   6.3703  ?   ?       ?      ? 
1 1 1   17    5   -5 o   76.733   4.2174  1705.53  186.903   0.0000   0.0000  1705.53  186.903  ?   ?    76.733   4.2174      ?      ? 
1 1 1   17    6   -5 o   14.212   6.9222 -328.1329  182.900 -328.1329  182.900   0.0000   0.0000   14.212   6.9222  ?   ?       ?      ? 
1 1 1   17    7   -5 o  134.624   2.7277  5248.77  211.884  4957.17  298.169  5546.25  301.151  130.838   3.9459  138.411   3.7673 -7.572891 5.455491 
1 1 1   17    8   -5 o   92.874   3.0312  2476.94  155.983  2422.34  193.829  2577.28  262.767   91.476   3.6688   94.272   4.8262 -2.795830 6.062355 
1 1 1   17    9   -5 o   92.787   3.4933  2491.79  187.200   0.0000   0.0000  2491.79  187.200  ?   ?    92.787   3.4933      ?      ? 
1 1 1   17   10   -5 o   76.219   3.8979  1685.39  171.418  1648.14  236.315  1726.75  249.027   75.338   5.4312   77.100   5.5925 -1.762871 7.795729 
1 1 1   17   11   -5 f   39.846   6.5859  462.306  151.563  462.306  151.563   0.0000   0.0000   39.846   6.5859  ?   ?       ?      ? 
1 1 1   17   12   -5 o   25.625   10.270   96.414  231.159   96.414  231.159   0.0000   0.0000   25.625   10.270  ?   ?       ?      ? 
1 1 1   17   13   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   14   -5 o   53.180   4.6364  774.943  134.474  686.965  161.607  972.976  242.463   48.615   5.7558   57.745   7.2702 -9.129963 9.272779 
1 1 1   17   15   -5 o  127.989   3.6658  4743.21  270.974   0.0000   0.0000  4743.21  270.974  ?   ?   127.989   3.6658      ?      ? 
1 1 1   17   16   -5 o   40.539   5.7648  441.932  172.408  1090.06  247.348 -170.5157  240.443   61.132   7.0057   19.945   9.1571 41.18766 11.52965 
1 1 1   17   17   -5 o   27.739   10.611  159.155  237.297   0.0000   0.0000  159.155  237.297  ?   ?    27.739   10.611      ?      ? 
1 1 1   17   18   -5 o   77.846   4.6187  1741.39  198.818  1852.18  337.935  1682.74  245.872   79.616   7.3493   76.075   5.5961 3.541283 9.237319 
1 1 1   17   19   -5 o  144.562   2.5604  5999.03  211.416  6404.98  328.245  5711.24  276.376  148.680   3.8226  140.445   3.4073 8.234238 5.120739 
1 1 1   17   20   -5 o   62.683   5.1750  1120.50  184.331  1313.72  294.696  996.320  236.253   66.976   7.6185   58.390   7.0058 8.586452 10.34998 
1 1 1   17   21   -5 o   31.955   11.533  260.460  272.641  260.460  272.641   0.0000   0.0000   31.955   11.533  ?   ?       ?      ? 
1 1 1   17   22   -5 o   49.035   6.9736  745.519  194.828  394.382  271.897  1116.06  279.309   36.435   11.531   61.635   7.8464 -25.20007 13.94714 
1 1 1   17   23   -5 o  127.541   3.2845  4713.00  241.938   0.0000   0.0000  4713.00  241.938  ?   ?   127.541   3.2845      ?      ? 
1 1 1   17   24   -5 o   26.305   11.912 -183.3407  389.151   0.0000   0.0000 -183.3407  389.151  ?   ?    26.305   11.912      ?      ? 
1 1 1   17   25   -5 o   61.349   9.4814  1123.94  335.942   0.0000   0.0000  1123.94  335.942  ?   ?    61.349   9.4814      ?      ? 
1 1 1   17   26   -5 o   40.521   12.706  508.875  330.873   0.0000   0.0000  508.875  330.873  ?   ?    40.521   12.706      ?      ? 
1 1 1   17   27   -5 o   87.297   7.7999  2266.81  393.252   0.0000   0.0000  2266.81  393.252  ?   ?    87.297   7.7999      ?      ? 
1 1 1   17   28   -5 o   25.592   9.8905  141.009  207.629   0.0000   0.0000  141.009  207.629  ?   ?    25.592   9.8905      ?      ? 
1 1 1   17   29   -5 o   94.927   4.3251  2643.07  235.632  2270.58  318.058  3096.22  350.811   87.514   6.2928  102.340   5.9353 -14.82654 8.650255 
1 1 1   17   30   -5 o   14.010   6.8745 -363.0541  190.527 -363.0541  190.527   0.0000   0.0000   14.010   6.8745  ?   ?       ?      ? 
1 1 1   17   31   -5 o   26.508   7.2525  170.111  158.385   18.606  289.141  235.060  189.314   24.950   10.826   28.066   9.6537 -3.115641 14.50501 
1 1 1   17   32   -5 o   39.383   8.5045  557.544  226.274  715.154  284.251  284.911  373.852   46.018   10.869   32.748   13.084 13.26992 17.00902 
1 1 1   17   33   -5 o   86.416   5.0176  2254.79  245.317  1707.65  325.060  2978.73  373.907   74.080   7.5977   98.752   6.5559 -24.67219 10.03517 
1 1 1   17   34   -5 o   38.069   8.2196  540.835  192.839  583.524  224.079  418.950  378.629   41.421   9.5608   34.716   13.373 6.704708 16.43920 
1 1 1   17   35   -5 o   47.961   6.8008  822.246  166.324  878.438  197.716  686.223  307.619   53.231   6.4312   42.692   11.985 10.53899 13.60157 
1 1 1   17   36   -5 f   21.069   6.8698 -82.2587  188.027 -63.8595  235.082 -114.9316  313.266   20.067   9.1533   22.072   10.247 -2.004892 13.73953 
1 1 1   17   37   -5 o   29.291   6.0820  247.175  102.515  445.637  196.096  172.536  120.257   35.429   9.4206   23.154   7.6952 12.27574 12.16405 
1 1 1   17   38   -5 o   18.429   5.9025 -23.7597  128.839   61.321  141.368 -440.9011  313.025   18.896   7.8542   17.962   8.8130 0.9343319 11.80494 
1 1 1   17   39   -5 o   25.621   5.0652  212.520   95.856   5.7893  141.472  387.979  130.333   17.029   7.4769   34.213   6.8352 -17.18344 10.13032 
1 1 1   17   40   -5 o   14.636   4.9980 -171.6855  117.580 -136.0636  139.883 -257.4461  217.046   13.563   6.4626   15.710   7.6260 -2.146688 9.996082 
1 1 1   17    0   -6 o   79.644   6.2210  1870.97  282.138  1870.97  282.138   0.0000   0.0000   79.644   6.2210   79.644   6.2210 -0.000000 0.000000 
1 1 1   17    1   -6 o  123.646   2.3053  4505.24  137.581  4575.35  156.974  4272.94  285.749  125.823   2.1601  121.469   4.0732 4.353897 4.610535 
1 1 1   17    2   -6 o  100.523   3.1350  2922.98  182.010  2922.98  182.010   0.0000   0.0000  100.523   3.1350  ?   ?       ?      ? 
1 1 1   17    3   -6 o   14.140   7.1317 -736.7910  142.217 -683.3633  166.636 -880.0747  272.887  ?   ?    14.140   7.1317      ?      ? 
1 1 1   17    4   -6 o  108.832   3.1967  3444.88  199.967  3283.28  293.319  3585.20  273.329  106.416   4.7725  111.247   4.2541 -4.830765 6.393324 
1 1 1   17    5   -6 o   97.255   2.7505  2740.86  151.143  2728.16  239.734  2749.24  194.717   97.040   4.2775   97.469   3.4590 -0.4289932 5.501091 
1 1 1   17    6   -6 o   88.549   3.2274  2321.75  156.463  2439.75  195.489  2111.44  260.987   91.804   3.6870   85.293   5.2981 6.511162 6.454743 
1 1 1   17    7   -6 o   30.616   7.6713  239.704  169.508  212.162  230.266  272.284  250.446   29.297   10.595   31.936   11.097 -2.639387 15.34258 
1 1 1   17    8   -6 o   62.200   4.1573  1120.79  149.344  1120.79  149.344   0.0000   0.0000   62.200   4.1573  ?   ?       ?      ? 
1 1 1   17    9   -6 o   56.725   6.4722  981.999  201.326  1117.54  269.621  811.195  302.672   61.877   7.5446   51.572   10.518 10.30538 12.94437 
1 1 1   17   10   -6 o   47.775   6.7729  684.825  179.421  611.134  238.455  780.988  272.398   44.798   9.5105   50.752   9.6457 -5.954281 13.54581 
1 1 1   17   11   -6 o   27.598   9.5946  201.623  187.243  201.623  187.243   0.0000   0.0000   27.598   9.5946  ?   ?       ?      ? 
1 1 1   17   12   -6 o   17.121   8.2226 -341.5160  236.275 -341.5160  236.275   0.0000   0.0000   17.121   8.2226  ?   ?       ?      ? 
1 1 1   17   13   -6 o   62.873   6.7413  1151.75  244.792   0.0000   0.0000  1151.75  244.792  ?   ?    62.873   6.7413      ?      ? 
1 1 1   17   14   -6 f   34.090   7.5265  318.429  175.548  509.648  251.771  137.512  244.896   40.803   10.591   27.377   10.696 13.42623 15.05290 
1 1 1   17   15   -6 o  125.713   3.0223  4600.66  212.110  4501.13  345.756  4660.72  268.588  124.556   4.8064  126.869   3.6656 -2.313019 6.044665 
1 1 1   17   16   -6 o   19.495   6.3315 -245.3550  170.358 -25.6249  246.150 -447.3612  236.014   23.150   10.017   15.841   7.7472 7.308900 12.66304 
1 1 1   17   17   -6 o   54.007   7.6589  852.935  238.893   0.0000   0.0000  852.935  238.893  ?   ?    54.007   7.6589      ?      ? 
1 1 1   17   18   -6 o  123.486   3.1547  4554.87  212.245  3999.54  353.742  4867.24  265.305  117.327   5.2204  129.644   3.5433 -12.31609 6.309305 
1 1 1   17   19   -6 o   87.960   4.3367  2405.01  200.548  1850.49  342.043  2695.51  247.566   79.531   7.4466   96.389   4.4471 -16.85870 8.673482 
1 1 1   17   20   -6 f   76.825   5.3917  1716.80  239.229   0.0000   0.0000  1716.80  239.229  ?   ?    76.825   5.3917      ?      ? 
1 1 1   17   21   -6 o  102.870   3.4333  3065.57  203.981   0.0000   0.0000  3065.57  203.981  ?   ?   102.870   3.4333      ?      ? 
1 1 1   17   22   -6 o   73.473   8.3010  1590.27  352.247   0.0000   0.0000  1590.27  352.247  ?   ?    73.473   8.3010      ?      ? 
1 1 1   17   23   -6 o   44.597   9.0482  609.319  225.086   0.0000   0.0000  609.319  225.086  ?   ?    44.597   9.0482      ?      ? 
1 1 1   17   24   -6 o   62.156   6.1894  1130.76  222.186   0.0000   0.0000  1130.76  222.186  ?   ?    62.156   6.1894      ?      ? 
1 1 1   17   25   -6 o   44.093   13.981  605.287  399.579   0.0000   0.0000  605.287  399.579  ?   ?    44.093   13.981      ?      ? 
1 1 1   17   26   -6 o   83.851   5.5381  2050.03  263.109  2690.07  399.013  1557.64  349.976   95.395   7.2423   72.308   8.3805 23.08758 11.07624 
1 1 1   17   27   -6 o   31.349   8.7061  184.521  233.656   64.962  315.839  329.063  347.273   27.627   11.629   35.072   12.960 -7.445091 17.41219 
1 1 1   17   28   -6 o   42.797   6.3452  585.212  154.309  746.735  210.571  397.861  226.783   50.054   7.2841   35.540   10.392 14.51372 12.69045 
1 1 1   17   29   -6 o   19.943   6.8744 -441.8953  183.824 -523.8822  207.248 -139.4591  398.047   13.336   6.6523   26.549   12.032 -13.21249 13.74877 
1 1 1   17   30   -6 o   71.114   5.7424  1527.46  233.598  1261.75  316.373  1845.95  346.376   64.177   8.5356   78.051   7.6839 -13.87384 11.48476 
1 1 1   17   31   -6 f   18.102   8.3840 -143.2468  207.956 -143.2468  207.956   0.0000   0.0000   18.102   8.3840  ?   ?       ?      ? 
1 1 1   17   32   -6 o   30.843   8.7183  245.024  229.691  256.556  287.647  224.733  381.563   30.282   11.659   31.403   12.966 -1.121223 17.43656 
1 1 1   17   33   -6 o   25.769   7.5547  212.281  119.715   0.0000   0.0000  212.281  119.715  ?   ?    25.769   7.5547      ?      ? 
1 1 1   17   34   -6 o   48.660   7.0162  911.812  211.100  1426.31  281.811  254.003  318.652   67.468   7.2323   29.853   12.025 37.61482 14.03246 
1 1 1   17   35   -6 o   32.476   8.2463  328.454  214.550  614.363  315.791   83.336  292.397   39.904   12.397   25.048   10.878 14.85651 16.49259 
1 1 1   17   36   -6 o   44.647   6.2466  566.945  135.744  461.125  153.400  948.905  291.441   37.502   7.3453   51.793   10.106 -14.29107 12.49328 
1 1 1   17   37   -6 o   14.628   5.0533 -250.8376  130.311 -132.7386  146.247 -705.8519  287.063   14.256   6.7388   15.000   7.5321 -0.7435503 10.10662 
1 1 1   17   38   -6 o   31.858   9.0123  362.140  173.250   0.0000   0.0000  362.140  173.250  ?   ?    31.858   9.0123      ?      ? 
1 1 1   17   39   -6 o   21.116   5.9668   94.755  127.304  212.766  144.831 -306.2222  266.968   24.881   8.4458   17.351   8.4309 7.529736 11.93365 
1 1 1   17   40   -6 o   15.506   5.2819 -153.6136  126.345 -86.6437  143.322 -387.1218  267.624   14.688   6.8561   16.324   8.0368 -1.635329 10.56388 
1 1 1   17    0   -7 o   71.773   5.1774  1721.04  177.271  1029.60  283.584  2164.52  227.114   57.414   9.2791   86.132   4.5955 -0.000000 0.000000 
1 1 1   17    1   -7 o   72.709   4.1832  1522.77  174.074  1631.77  268.148  1443.38  228.852   74.916   6.1975   70.501   5.6205 4.414879 8.366499 
1 1 1   17    2   -7 o  191.094   2.1518 10553.82  237.487 10553.82  237.487   0.0000   0.0000  191.094   2.1518  ?   ?       ?      ? 
1 1 1   17    3   -7 o   91.852   3.3887  2441.35  179.768   0.0000   0.0000  2441.35  179.768  ?   ?    91.852   3.3887      ?      ? 
1 1 1   17    4   -7 o   14.489   5.0637 -510.7379  156.600 -657.9925  228.763 -380.8806  214.825   13.536   6.7869   15.442   7.5169 -1.905723 10.12748 
1 1 1   17    5   -7 o  149.285   2.4306  6404.48  207.125  5146.06  281.091  7899.49  306.377  133.331   3.6503  165.239   3.2104 -31.90814 4.861216 
1 1 1   17    6   -7 o  146.884   2.2606  6239.95  178.537  6236.40  216.099  6247.60  316.893  146.868   2.5476  146.899   3.7351 -0.3065491E-01 4.521260 
1 1 1   17    7   -7 o   47.274   5.9673  663.257  158.549  675.595  237.812  653.385  212.725   47.249   9.0441   47.300   7.7871 -0.5022049E-01 11.93462 
1 1 1   17    8   -7 o   20.207   6.0819 -56.1360  137.005  106.246  183.163 -262.3883  206.427   23.872   9.2717   16.542   7.8735 7.330002 12.16372 
1 1 1   17    9   -7 o   21.572   6.3946   3.7449  140.293  104.867  183.696 -137.7912  217.325   23.845   9.2786   19.298   8.8018 4.547674 12.78923 
1 1 1   17   10   -7 o  140.361   3.5141  5702.78  284.868  5702.78  284.868   0.0000   0.0000  140.361   3.5141  ?   ?       ?      ? 
1 1 1   17   11   -7 o   21.094   9.8966 -307.0399  305.091 -307.0399  305.091   0.0000   0.0000   21.094   9.8966  ?   ?       ?      ? 
1 1 1   17   12   -7 o   49.762   5.4159  862.117  187.292  1848.44  254.518 -302.7747  276.600   79.767   5.5247   19.757   9.3170 60.01021 10.83188 
1 1 1   17   13   -7 o  109.302   4.6191  3464.59  291.588   0.0000   0.0000  3464.59  291.588  ?   ?   109.302   4.6191      ?      ? 
1 1 1   17   14   -7 o   67.388   6.3501  1334.65  213.453  2411.22  333.603  588.385  277.750   91.008   6.3470   43.768   11.000 47.23968 12.70019 
1 1 1   17   15   -7 o  104.567   3.6456  3107.35  217.602  3644.42  340.820  2737.76  282.727  112.020   5.2680   97.114   5.0408 14.90553 7.291209 
1 1 1   17   16   -7 o   24.999   7.1983   1.7093  181.571  219.922  246.791 -255.7952  268.090   30.009   10.951   19.988   9.3456 10.02091 14.39662 
1 1 1   17   17   -7 o   78.132   4.1431  1791.36  185.158  1923.78  251.402  1634.38  273.726   81.363   5.3500   74.901   6.3277 6.462967 8.286273 
1 1 1   17   18   -7 o   88.478   4.0051  2194.15  177.712  2114.33  203.836  2447.06  362.836   85.399   4.1328   91.556   6.8618 -6.157707 8.010229 
1 1 1   17   19   -7 o   49.800   6.9555  724.654  200.055  724.654  200.055   0.0000   0.0000   49.800   6.9555  ?   ?       ?      ? 
1 1 1   17   20   -7 o  140.107   3.8810  5690.89  314.043  5690.89  314.043   0.0000   0.0000  140.107   3.8810  ?   ?       ?      ? 
1 1 1   17   21   -7 o  105.957   3.7810  3164.47  225.709  2831.22  283.930  3736.66  372.042   98.674   4.9822  113.240   5.6886 -14.56649 7.561936 
1 1 1   17   22   -7 o   29.268   7.4347  220.925  162.887   92.616  272.307  292.416  203.262   27.027   11.032   31.509   9.9695 -4.482357 14.86935 
1 1 1   17   23   -7 o   48.832   7.8625  702.854  221.740  702.854  221.740   0.0000   0.0000   48.832   7.8625  ?   ?       ?      ? 
1 1 1   17   24   -7 o   18.272   6.2733 -404.2951  166.285 -194.2231  325.199 -478.6664  193.494   23.441   10.721   13.102   6.5178 10.33930 12.54658 
1 1 1   17   25   -7 o   69.327   5.3700  1404.67  215.014  1404.67  215.014   0.0000   0.0000   69.327   5.3700  ?   ?       ?      ? 
1 1 1   17   26   -7 o   17.411   6.0758 -675.2431  223.360 -372.4709  263.713 -1443.7760  420.151   17.972   8.6455   16.850   8.5390 1.121471 12.15153 
1 1 1   17   27   -7 o   86.220   4.9367  2175.65  245.827  2175.65  245.827   0.0000   0.0000   86.220   4.9367  ?   ?       ?      ? 
1 1 1   17   28   -7 o   31.214   7.6080  280.597  163.438  308.163  261.010  262.818  209.622   32.493   11.326   29.935   10.161 2.558004 15.21599 
1 1 1   17   29   -7 o   21.594   9.5761 -50.5705  237.626 -50.5705  237.626   0.0000   0.0000   21.594   9.5761  ?   ?       ?      ? 
1 1 1   17   30   -7 o   39.628   8.6145  543.479  215.646  614.523  256.544  372.404  398.102   43.318   10.388   35.939   13.745 7.378750 17.22905 
1 1 1   17   31   -7 o   50.933   7.8058  1011.48  218.186  1238.50  260.578  479.005  399.080   63.822   7.0694   38.044   13.919 25.77764 15.61154 
1 1 1   17   32   -7 o   37.787   9.5556  475.961  208.669  475.961  208.669   0.0000   0.0000   37.787   9.5556  ?   ?       ?      ? 
1 1 1   17   33   -7 o   64.142   6.4017  1337.38  235.396  1182.65  335.389  1487.60  330.467   59.969   9.6835   68.315   8.3759 -8.345108 12.80335 
1 1 1   17   34   -7 o   14.682   5.1612 -207.6986  106.796 -380.0573  283.582 -179.2138  115.284   17.893   8.6931   11.472   5.5662 6.421505 10.32244 
1 1 1   17   35   -7 o   34.598   8.2627  429.883  204.602  260.891  281.789  618.315  297.556   28.948   11.424   40.248   11.941 -11.30060 16.52533 
1 1 1   17   36   -7 o   30.430   9.9351  328.030  200.783   0.0000   0.0000  328.030  200.783  ?   ?    30.430   9.9351      ?      ? 
1 1 1   17   37   -7 o   27.118   9.8413  248.931  198.919   0.0000   0.0000  248.931  198.919  ?   ?    27.118   9.8413      ?      ? 
1 1 1   17   38   -7 o   20.590   6.1296   69.059  120.377   36.170  151.678  125.025  197.861   18.466   7.9255   22.714   9.3528 -4.247944 12.25918 
1 1 1   17   39   -7 o   24.200   6.7213  178.660  128.318  167.463  151.943  206.504  239.607   22.889   8.5496   25.511   10.373 -2.621773 13.44261 
1 1 1   17   40   -7 o   29.014   6.3377  318.061  116.488  331.511  149.271  297.113  186.287   30.175   8.3040   27.853   9.5765 2.322317 12.67539 
1 1 1   17    0   -8 o   75.356   4.3046  1653.92  181.499  1800.92  288.335  1557.45  233.582   78.024   6.5025   72.688   5.6423 -0.000000 0.000000 
1 1 1   17    1   -8 o   74.486   4.0595  1661.10  164.974  2319.58  235.959  1031.40  230.745   89.454   4.5672   59.518   6.7127 29.93550 8.119098 
1 1 1   17    2   -8 o  112.607   3.0107  3703.69  190.844  3535.12  302.405  3815.27  246.024  110.415   4.7422  114.798   3.7107 -4.383331 6.021405 
1 1 1   17    3   -8 o   69.569   3.6797  1392.11  142.089  1449.44  238.408  1360.53  176.949   70.625   5.8449   68.513   4.4719 2.111427 7.359385 
1 1 1   17    4   -8 o   27.531   6.4415  183.727  138.838  355.940  181.067 -61.9960  216.286   34.237   9.0280   20.825   9.1905 13.41207 12.88291 
1 1 1   17    5   -8 o   27.036   7.3174  149.540  159.363  132.953  237.219  163.182  215.141   26.964   10.530   27.107   10.164 -0.1427574 14.63479 
1 1 1   17    6   -8 o   76.278   3.8654  1679.81  169.600  1797.21  254.116  1585.52  227.746   78.657   5.5938   73.899   5.3361 4.757988 7.730765 
1 1 1   17    7   -8 o  106.189   3.2005  3334.35  192.011  3983.79  265.676  2624.19  277.821  117.283   3.9222   95.096   5.0585 22.18681 6.400939 
1 1 1   17    8   -8 o   60.545   7.2789  1069.34  254.522  1069.34  254.522   0.0000   0.0000   60.545   7.2789  ?   ?       ?      ? 
1 1 1   17    9   -8 o  128.375   2.8773  4766.65  213.330  4766.65  213.330   0.0000   0.0000  128.375   2.8773  ?   ?       ?      ? 
1 1 1   17   10   -8 o   53.156   8.4204  827.257  258.504  827.257  258.504   0.0000   0.0000   53.156   8.4204  ?   ?       ?      ? 
1 1 1   17   11   -8 o  115.618   3.2851  3879.81  219.165  3773.24  313.776  3981.34  306.254  114.054   4.7635  117.182   4.5252 -3.128403 6.570212 
1 1 1   17   12   -8 o  145.277   2.4361  6094.80  203.111  6232.88  306.362  5986.51  271.308  146.724   3.6153  143.830   3.2661 2.894638 4.872152 
1 1 1   17   13   -8 o   25.613   7.2307   90.413  166.101 -37.1418  257.740  181.019  217.226   23.456   10.199   27.771   10.252 -4.314735 14.46149 
1 1 1   17   14   -8 o   34.188   9.4501  354.225  192.822  354.225  192.822   0.0000   0.0000   34.188   9.4501  ?   ?       ?      ? 
1 1 1   17   15   -8 o  120.002   2.6815  4093.79  168.883  4356.20  317.481  3990.23  199.443  122.561   4.4852  117.442   2.9404 5.119049 5.363097 
1 1 1   17   16   -8 o   75.719   5.3897  1690.54  231.234  1302.47  323.304  2096.96  330.857   66.646   8.3995   84.792   6.7562 -18.14615 10.77947 
1 1 1   17   17   -8 f   37.501   8.5316  410.067  206.615  412.631  264.092  406.022  331.739   37.124   11.303   37.877   12.783 -0.7528305 17.06319 
1 1 1   17   18   -8 o   64.503   6.2013  1212.56  231.017  1212.56  231.017   0.0000   0.0000   64.503   6.2013  ?   ?       ?      ? 
1 1 1   17   19   -8 o   32.560   7.8514  262.253  202.383 -80.8300  323.935  481.903  259.194   25.489   11.248   39.631   10.957 -14.14244 15.70278 
1 1 1   17   20   -8 o  165.711   2.6692  7972.18  249.196  7906.96  398.094  8014.21  319.545  165.081   4.1754  166.341   3.3262 -1.259705 5.338349 
1 1 1   17   21   -8 o   32.709   9.9219  320.679  203.777  320.679  203.777   0.0000   0.0000   32.709   9.9219  ?   ?       ?      ? 
1 1 1   17   22   -8 o  138.465   3.3874  5584.44  269.700  5657.20  366.063  5498.06  398.871  139.504   4.5434  137.427   5.0255 2.077332 6.774807 
1 1 1   17   23   -8 o   49.683   8.0699  806.151  224.339  920.760  277.075  588.018  382.252   55.740   8.6068   43.627   13.653 12.11348 16.13972 
1 1 1   17   24   -8 o   21.723   7.2426 -305.2335  222.017 -296.2770  273.353 -322.5940  380.572   19.505   9.2177   23.941   11.174 -4.435852 14.48521 
1 1 1   17   25   -8 o   39.688   8.8748  488.183  198.321   0.0000   0.0000  488.183  198.321  ?   ?    39.688   8.8748      ?      ? 
1 1 1   17   26   -8 o   38.482   9.4924  443.168  262.875  541.695  328.344  267.268  438.716   41.327   12.608   35.638   14.194 5.688663 18.98483 
1 1 1   17   27   -8 o   25.317   8.0252 -67.7517  226.614  -0.0235  266.483 -244.6674  430.694   24.154   10.437   26.480   12.194 -2.326271 16.05042 
1 1 1   17   28   -8 o  110.211   3.8989  3483.83  217.674  3381.81  251.560  3787.86  434.257  107.610   4.0476  112.812   6.6651 -5.202126 7.797861 
1 1 1   17   29   -8 o   27.141   8.3284 -32.6937  252.401  188.421  356.803 -254.1691  357.094   31.016   12.641   23.266   10.847 7.750263 16.65685 
1 1 1   17   30   -8 o   38.410   9.0110  474.263  247.685  700.476  347.990  241.998  352.614   45.038   12.784   31.781   12.703 13.25772 18.02201 
1 1 1   17   31   -8 o   71.333   8.3031  186.697  248.728  1584.73  342.069 -1381.6899  362.312   71.333   8.3031  ?   ?       ?      ? 
1 1 1   17   32   -8 o   27.642   7.7663  246.012  129.117   0.0000   0.0000  246.012  129.117  ?   ?    27.642   7.7663      ?      ? 
1 1 1   17   33   -8 o   22.344   7.1882 -84.0419  206.917 -259.5339  329.407   30.330  265.928   21.181   10.042   23.507   10.288 -2.325766 14.37630 
1 1 1   17   34   -8 o   16.749   5.9408 -325.8188  111.307 -15.9660  323.317 -367.4797  118.554   24.195   10.916   9.3026   4.6930 14.89197 11.88170 
1 1 1   17   35   -8 o   16.396   5.5748 -106.1802  103.126 -164.9856  276.517 -96.6797  111.144   20.059   9.4144   12.733   5.9736 7.326082 11.14968 
1 1 1   17   36   -8 o   61.184   5.8841  1227.03  206.953  1116.87  277.054  1366.10  311.279   58.175   8.2459   64.193   8.3961 -6.017071 11.76820 
1 1 1   17   37   -8 o   36.781   7.2383  469.485  139.627  443.640  157.123  566.533  304.467   36.284   7.7343   37.277   12.237 -0.9938164 14.47670 
1 1 1   17   38   -8 o   17.526   5.5255 -42.8904  122.273   76.387  153.616 -249.1172  201.990   19.745   8.1955   15.308   7.4134 4.437134 11.05098 
1 1 1   17   39   -8 o   23.008   8.3518  175.283  143.274   0.0000   0.0000  175.283  143.274  ?   ?    23.008   8.3518      ?      ? 
1 1 1   17    0   -9 o   40.917   11.607  591.063  237.611   0.0000   0.0000  591.063  237.611   40.917   11.607   40.917   11.607 -0.000000 0.000000 
1 1 1   17    1   -9 o   33.500   7.5236  225.815  182.856  597.179  292.041 -13.6558  234.515   44.118   11.385   22.881   9.8386 21.23727 15.04715 
1 1 1   17    2   -9 o   32.997   9.3499  327.944  186.316  327.944  186.316   0.0000   0.0000   32.997   9.3499  ?   ?       ?      ? 
1 1 1   17    3   -9 o   43.723   6.3939  490.455  187.064  -6.9326  244.409  1193.88  290.656   23.521   10.077   63.924   7.8728 -40.40302 12.78772 
1 1 1   17    4   -9 o   28.664   7.5438  187.927  167.373  153.168  247.000  217.438  227.593   27.939   10.790   29.389   10.545 -1.449629 15.08770 
1 1 1   17    5   -9 o   15.999   7.7541 -367.7813  221.978   0.0000   0.0000 -367.7813  221.978  ?   ?    15.999   7.7541      ?      ? 
1 1 1   17    6   -9 o   33.575   8.0021  262.124  203.656  520.389  289.944   10.626  286.121   41.337   11.647   25.813   10.977 15.52333 16.00413 
1 1 1   17    7   -9 o   35.073   7.3044  343.605  165.786  543.536  248.037  182.163  222.888   42.133   10.283   28.014   10.376 14.11902 14.60882 
1 1 1   17    8   -9 o   83.982   4.9692  2046.54  241.025   0.0000   0.0000  2046.54  241.025  ?   ?    83.982   4.9692      ?      ? 
1 1 1   17    9   -9 o   22.058   6.9293 -100.5784  180.794 -299.6369  294.958   19.216  228.817   20.708   9.7203   23.408   9.8780 -2.700125 13.85857 
1 1 1   17   10   -9 o   96.971   4.7202  2727.40  264.353  2727.40  264.353   0.0000   0.0000   96.971   4.7202  ?   ?       ?      ? 
1 1 1   17   11   -9 o  102.312   3.8640  3031.81  228.326  3031.81  228.326   0.0000   0.0000  102.312   3.8640  ?   ?       ?      ? 
1 1 1   17   12   -9 o   42.879   8.4235  533.147  209.881  445.566  261.299  692.390  352.340   38.384   11.135   47.375   12.642 -8.991001 16.84690 
1 1 1   17   13   -9 o   55.452   6.0427  898.799  193.206  833.265  265.939  972.053  281.165   53.308   8.6378   57.595   8.4526 -4.287121 12.08543 
1 1 1   17   14   -9 o  104.348   3.8054  3153.96  229.335   0.0000   0.0000  3153.96  229.335  ?   ?   104.348   3.8054      ?      ? 
1 1 1   17   15   -9 o   20.102   6.7755 -626.9885  224.968 -1055.3510  302.473 -96.6625  336.553   14.402   7.2925   25.801   11.421 -11.39884 13.55090 
1 1 1   17   16   -9 o  140.965   3.2077  5778.69  260.508  6142.82  364.654  5399.13  372.292  145.539   4.3383  136.391   4.7262 9.148285 6.415434 
1 1 1   17   17   -9 o   43.315   7.9824  504.220  212.508  233.413  269.629  948.282  345.269   31.064   11.430   55.567   11.146 -24.50299 15.96488 
1 1 1   17   18   -9 o  117.373   3.7631  3841.67  212.115  3716.90  238.800  4308.21  461.772  113.262   3.6506  121.484   6.5815 -8.221245 7.526144 
1 1 1   17   19   -9 o   26.979   7.3743  143.915  166.308 -79.1207  308.468  235.312  197.465   24.832   10.966   29.125   9.8619 -4.292545 14.74852 
1 1 1   17   20   -9 o   94.529   4.2366  2593.71  231.294  2593.71  231.294   0.0000   0.0000   94.529   4.2366  ?   ?       ?      ? 
1 1 1   17   21   -9 o  122.553   3.4943  4353.71  247.325   0.0000   0.0000  4353.71  247.325  ?   ?   122.553   3.4943      ?      ? 
1 1 1   17   22   -9 o  109.388   4.7578  3528.68  292.489  3599.25  375.156  3419.29  467.069  110.994   5.8523  107.783   7.5032 3.211449 9.515656 
1 1 1   17   23   -9 o   73.147   4.7443  1578.13  177.833  1556.27  340.420  1586.33  208.552   72.510   8.1289   73.783   4.8941 -1.273544 9.488503 
1 1 1   17   24   -9 o   76.112   6.1333  1856.81  197.393  1928.82  218.038  1529.64  464.748   81.356   4.6404   70.867   11.355 10.48957 12.26665 
1 1 1   17   25   -9 o   15.987   5.5624 -501.8480  161.654 -246.0784  266.253 -651.1765  203.442   19.795   9.2737   12.180   6.1449 7.615003 11.12481 
1 1 1   17   26   -9 o   24.770   7.0897   84.880  164.375 -265.3863  328.008  202.342  189.948   22.277   10.389   27.262   9.6497 -4.985039 14.17946 
1 1 1   17   27   -9 o   75.560   4.9166  1780.04  159.766  1575.66  376.026  1825.06  176.489   71.999   9.0428   79.120   3.8623 -7.121307 9.833117 
1 1 1   17   28   -9 o   37.834   7.9805  322.903  168.546  807.773  364.006  190.577  190.160   49.089   12.732   26.580   9.6259 22.50802 15.96099 
1 1 1   17   29   -9 o   70.600   6.6475  1565.06  267.159  1664.55  357.806  1439.71  401.618   73.667   8.4098   67.532   10.297 6.135193 13.29499 
1 1 1   17   30   -9 o   74.125   4.6275  1636.52  164.579  1694.37  349.369  1620.02  186.578   74.077   8.1661   74.173   4.3554 -0.9551239E-01 9.254967 
1 1 1   17   31   -9 o   21.920   7.3092 -272.8802  241.246 -355.8366  338.084 -186.8204  344.350   20.750   9.9310   23.090   10.727 -2.339748 14.61843 
1 1 1   17   32   -9 o   15.957   5.5215 -134.5427   95.729 -198.0535  285.928 -126.5249  101.592   20.453   9.5909   11.461   5.4738 8.992184 11.04299 
1 1 1   17   33   -9 o   24.675   7.6415 -49.8540  227.505 -377.5655  329.366  249.175  314.622   19.744   9.5388   29.606   11.941 -9.861563 15.28291 
1 1 1   17   34   -9 o   43.615   4.4282  569.256  111.545   0.0000   0.0000  569.256  111.545  ?   ?    43.615   4.4282      ?      ? 
1 1 1   17   35   -9 o   26.611   8.6389  237.397  151.888   0.0000   0.0000  237.397  151.888  ?   ?    26.611   8.6389      ?      ? 
1 1 1   17   36   -9 o   24.804   7.2068  111.945  163.386  306.003  272.347   2.8335  204.217   29.596   11.357   20.011   8.8757 9.585001 14.41364 
1 1 1   17   37   -9 o   41.222   5.5988  571.526  126.080  575.745  159.644  564.534  205.537   42.570   6.4933   39.875   9.1227 2.695297 11.19758 
1 1 1   17   38   -9 o   24.663   6.8253  197.376  140.094  248.742  157.088  -2.2324  309.670   26.526   8.7940   22.801   10.440 3.724361 13.65055 
1 1 1   17   39   -9 o   14.569   4.8671 -118.1103  107.614 -123.7810  154.462 -112.7615  150.015   14.588   6.9048   14.549   6.8614 0.3886032E-01 9.734232 
1 1 1   17    0  -10 o  139.065   4.0984  5608.13  328.522   0.0000   0.0000  5608.13  328.522  139.065   4.0984  139.065   4.0984 -0.000000 0.000000 
1 1 1   17    1  -10 o   90.736   3.7709  2326.30  194.920  2844.04  306.908  1976.27  252.348   98.967   5.3695   82.504   5.2959 16.46236 7.541750 
1 1 1   17    2  -10 o   98.281   3.4838  2702.50  194.175  3426.62  311.203  2240.87  248.476  108.675   4.9583   87.888   4.8952 20.78672 6.967593 
1 1 1   17    3  -10 o   94.816   2.9166  2606.76  153.829  2596.69  254.116  2612.59  193.262   94.630   4.6497   95.003   3.5223 -0.3735199 5.833161 
1 1 1   17    4  -10 o   52.944   5.8832  805.265  160.269  766.741  189.664  901.464  299.712   51.325   6.3984   54.562   9.8746 -3.237019 11.76633 
1 1 1   17    5  -10 o   81.901   4.5365  1976.70  211.841  1682.43  307.568  2242.30  292.198   75.967   7.0103   87.836   5.7600 -11.86925 9.073089 
1 1 1   17    6  -10 o   28.012   7.7266  130.840  188.180  248.970  243.712 -43.5732  296.134   30.933   10.932   25.092   10.922 5.840212 15.45328 
1 1 1   17    7  -10 o   84.648   3.9494  2060.23  192.033  1815.06  257.606  2366.87  288.095   79.034   5.6436   90.263   5.5264 -11.22928 7.898816 
1 1 1   17    8  -10 o   73.417   4.4599  1550.00  174.347  1617.20  317.954  1521.10  208.485   74.434   7.3962   72.400   4.9860 2.034019 8.919853 
1 1 1   17    9  -10 o  137.070   2.7930  5367.60  192.557  5292.04  222.257  5595.01  385.572  135.265   2.8450  138.876   4.8072 -3.611313 5.585998 
1 1 1   17   10  -10 o  115.779   3.5079  3669.40  227.793  2911.02  285.001  5010.84  379.043  100.159   4.9269  131.399   4.9947 -31.24020 7.015803 
1 1 1   17   11  -10 o   55.207   6.9868  888.906  222.773  888.906  222.773   0.0000   0.0000   55.207   6.9868  ?   ?       ?      ? 
1 1 1   17   12  -10 o   95.511   4.0855  2646.55  219.421  2626.28  279.562  2679.06  354.100   95.110   5.0894   95.913   6.3924 -0.8025970 8.170972 
1 1 1   17   13  -10 o  119.843   3.4151  4258.56  228.032  4564.82  293.075  3788.73  363.002  125.510   4.0431  114.175   5.5049 11.33515 6.830154 
1 1 1   17   14  -10 o  145.079   3.1884  6113.64  266.729  6303.38  370.758  5910.09  384.013  147.437   4.3541  142.721   4.6588 4.716415 6.376719 
1 1 1   17   15  -10 o   82.735   4.2273  1994.12  195.813  1987.16  318.316  1998.36  248.366   82.536   6.6777   82.934   5.1853 -0.3980408 8.454560 
1 1 1   17   16  -10 o  103.790   3.4641  3119.67  207.651   0.0000   0.0000  3119.67  207.651  ?   ?   103.790   3.4641      ?      ? 
1 1 1   17   17  -10 o   88.023   3.9778  2257.41  201.860  2099.78  285.069  2415.93  285.879   84.914   5.8128   91.131   5.4316 -6.216835 7.955559 
1 1 1   17   18  -10 o   44.860   8.7980  617.279  227.788  628.750  391.206  611.396  280.183   45.268   13.751   44.452   10.978 0.8158722 17.59595 
1 1 1   17   19  -10 o   80.797   3.2692  1879.33  151.459  1761.46  200.268  2036.83  231.500   77.882   4.4523   83.712   4.7882 -5.830048 6.538384 
1 1 1   17   20  -10 o   19.735   6.2662 -128.1266  154.309 -269.9024  221.992   4.4195  214.644   17.253   8.1984   22.217   9.4789 -4.964115 12.53245 
1 1 1   17   21  -10 o   51.482   7.4238  845.169  186.666  730.650  378.360  882.010  214.601   48.117   13.212   54.847   6.7747 -6.730354 14.84768 
1 1 1   17   22  -10 o   58.807   5.7645  1035.85  193.159  901.808  283.956  1151.29  263.522   55.081   8.9261   62.532   7.2968 -7.450619 11.52899 
1 1 1   17   23  -10 o   72.563   4.6953  1535.75  195.106  1842.75  288.915  1278.38  264.537   79.239   6.3131   65.887   6.9519 13.35265 9.390638 
1 1 1   17   24  -10 o   60.710   6.2471  1184.23  175.937  991.821  352.752  1247.94  202.987   56.116   11.276   65.303   5.3820 -9.187592 12.49417 
1 1 1   17   25  -10 o  101.671   4.7288  3203.00  263.708  3824.87  348.191  2366.44  403.846  114.253   5.2767   89.090   7.8488 25.16249 9.457645 
1 1 1   17   26  -10 o   44.424   8.3749  611.222  206.991   0.0000   0.0000  611.222  206.991  ?   ?    44.424   8.3749      ?      ? 
1 1 1   17   27  -10 o   45.170   8.8227  727.016  259.232  962.607  321.711  290.833  437.743   54.895   10.530   35.445   14.159 19.45004 17.64531 
1 1 1   17   28  -10 o   34.706   8.9384  340.638  233.786  234.211  312.888  475.152  351.762   31.007   12.097   38.404   13.162 -7.397005 17.87671 
1 1 1   17   29  -10 o   41.707   7.5193  543.161  174.457   0.0000   0.0000  543.161  174.457  ?   ?    41.707   7.5193      ?      ? 
1 1 1   17   30  -10 f   76.319   3.1194  1700.64  137.497   0.0000   0.0000  1700.64  137.497  ?   ?    76.319   3.1194      ?      ? 
1 1 1   17   31  -10 o   46.277   7.7857  741.635  204.935  729.027  297.335  753.044  282.851   45.674   11.327   46.879   10.685 -1.204369 15.57145 
1 1 1   17   32  -10 o   45.386   7.2765  683.318  217.249  200.719  293.195  1270.88  323.512   28.208   11.473   62.564   8.9532 -34.35640 14.55309 
1 1 1   17   33  -10 o   77.480   3.8930  1782.81  159.433  1935.24  295.703  1720.33  189.306   79.006   6.4806   75.954   4.3155 3.051773 7.785949 
1 1 1   17   34  -10 o   46.469   6.0849  664.486  135.093  837.968  288.235  615.648  152.931   48.256   10.629   44.682   5.9262 3.574284 12.16973 
1 1 1   17   35  -10 o   26.756   7.0143  237.178  147.585   73.608  282.358  298.664  173.116   24.212   10.598   29.301   9.1912 -5.088680 14.02870 
1 1 1   17   36  -10 o   17.423   5.9356 -244.6665  166.811 -203.3220  279.117 -267.6385  208.054   19.353   9.1951   15.493   7.5083 3.859410 11.87111 
1 1 1   17   37  -10 o   29.380   7.9116  298.165  137.239   0.0000   0.0000  298.165  137.239  ?   ?    29.380   7.9116      ?      ? 
1 1 1   17   38  -10 o   13.240   6.5784 -520.3581  123.675 -606.9921  160.127 -392.2700  194.704  ?   ?    13.240   6.5784      ?      ? 
1 1 1   17   39  -10 o   23.694   6.0940  189.466  110.117  256.704  159.423  128.119  152.280   26.349   8.8615   21.039   8.3678 5.309986 12.18794 
1 1 1   17    0  -11 o   81.137   6.6601  1947.19  307.255   0.0000   0.0000  1947.19  307.255   81.137   6.6601   81.137   6.6601 -0.000000 0.000000 
1 1 1   17    1  -11 o   59.037   5.5473  1021.52  179.699  1028.20  222.383  1008.97  305.042   59.427   6.4794   58.646   9.0060 0.7806396 11.09464 
1 1 1   17    2  -11 o  161.882   2.6281  7577.73  245.707   0.0000   0.0000  7577.73  245.707  ?   ?   161.882   2.6281      ?      ? 
1 1 1   17    3  -11 o   32.124   6.2604  172.656  172.916 -358.1979  250.076  658.978  239.357   17.648   8.4714   46.601   9.2199 -28.95255 12.52081 
1 1 1   17    4  -11 o   23.455   7.1077   6.0359  165.866 -151.3469  306.439   71.251  197.260   23.550   10.626   23.361   9.4433 0.1889267 14.21543 
1 1 1   17    5  -11 o   17.945   6.2794 -751.1842  238.135 -643.9310  308.163 -910.1677  375.190   17.526   8.6280   18.364   9.1258 -0.8379345 12.55876 
1 1 1   17    6  -11 o  168.657   2.7658  8164.33  262.584  7917.93  333.423  8566.74  426.089  165.388   3.4906  171.925   4.2912 -6.537018 5.531608 
1 1 1   17    7  -11 o  170.232   2.2648  8329.13  205.530  8240.62  246.393  8531.61  372.658  168.821   2.5271  171.643   3.7592 -2.822678 4.529655 
1 1 1   17    8  -11 o  118.670   3.7824  4167.60  254.245  4709.75  343.800  3513.26  377.701  127.430   4.6714  109.910   5.9501 17.51961 7.564787 
1 1 1   17    9  -11 o   62.193   5.5041  1122.82  196.769  983.617  267.111  1287.99  290.964   57.989   7.9756   66.398   7.5875 -8.408566 11.00819 
1 1 1   17   10  -11 o   96.529   4.7286  2726.98  261.366  3158.77  371.823  2305.24  367.470  104.178   6.1798   88.879   7.1588 15.29972 9.457165 
1 1 1   17   11  -11 o  251.439   2.1641 18192.43  294.107 18011.04  356.833 18576.69  519.370  249.581   2.4755  253.298   3.5503 -3.716568 4.328116 
1 1 1   17   12  -11 o  129.895   3.5827  4899.22  268.771  4872.59  379.171  4926.12  381.034  129.540   5.0681  130.250   5.0652 -0.7100220 7.165357 
1 1 1   17   13  -11 o   32.941   7.0002  334.036  159.549   51.307  272.265  481.905  196.899   26.126   10.883   39.755   8.8075 -13.62881 14.00042 
1 1 1   17   14  -11 o   53.136   7.3467  844.123  205.932  832.107  248.353  870.566  368.413   53.283   8.0705   52.989   12.279 0.2938042 14.69342 
1 1 1   17   15  -11 o  185.406   2.5660  9942.31  274.767   0.0000   0.0000  9942.31  274.767  ?   ?   185.406   2.5660      ?      ? 
1 1 1   17   16  -11 o   33.721   9.4391  204.890  273.259  149.030  403.755  252.102  371.189   33.020   13.451   34.422   13.246 -1.402184 18.87822 
1 1 1   17   17  -11 o  115.996   3.9428  3941.71  262.472  4257.29  361.936  3591.65  381.196  120.989   5.1797  111.004   5.9460 9.985191 7.885683 
1 1 1   17   18  -11 o   57.423   7.8149  1036.02  233.933  1092.55  283.087  914.291  415.408   60.953   8.0415   53.893   13.402 7.060772 15.62980 
1 1 1   17   19  -11 o   49.224   8.1125  767.403  200.331  797.039  227.304  664.293  423.986   52.086   7.5562   46.362   14.358 5.723770 16.22506 
1 1 1   17   20  -11 o   43.425   6.6965  671.202  217.747 -314.9065  378.594  1158.65  266.179   24.063   11.202   62.787   7.3404 -38.72321 13.39300 
1 1 1   17   21  -11 o   51.839   7.4270  932.887  186.013  605.917  375.455  1039.25  214.141   44.103   13.487   59.575   6.2238 -15.47142 14.85391 
1 1 1   17   22  -11 o   40.229   8.2160  433.213  180.397  690.749  366.513  350.875  207.238   46.608   13.081   33.851   9.9443 12.75753 16.43194 
1 1 1   17   23  -11 o   74.719   5.5494  1784.65  164.815  1477.91  419.299  1840.71  179.243   69.870   10.391   79.568   3.9005 -9.698402 11.09874 
1 1 1   17   24  -11 o   16.629   8.1749 -539.9187  273.422   0.0000   0.0000 -539.9187  273.422  ?   ?    16.629   8.1749      ?      ? 
1 1 1   17   25  -11 o   45.192   6.7566  715.158  152.175  457.953  303.269  801.712  175.927   38.208   12.187   52.176   5.8382 -13.96815 13.51318 
1 1 1   17   26  -11 o   25.870   9.0096  187.315  165.139   0.0000   0.0000  187.315  165.139  ?   ?    25.870   9.0096      ?      ? 
1 1 1   17   27  -11 o   53.198   5.8683  797.643  142.372  1008.83  324.316  747.231  158.456   56.104   10.392   50.291   5.4555 5.812645 11.73664 
1 1 1   17   28  -11 o   21.800   7.3174  137.372  108.703   0.0000   0.0000  137.372  108.703  ?   ?    21.800   7.3174      ?      ? 
1 1 1   17   29  -11 o   19.889   6.3282  -3.7242  115.372 -148.5488  308.410   19.840  124.405   22.519   10.351   17.258   7.2833 5.260977 12.65650 
1 1 1   17   30  -11 o   29.919   6.5026  322.907  124.542   14.768  304.122  384.995  136.514   24.923   10.952   34.916   7.0132 -9.993134 13.00512 
1 1 1   17   31  -11 o   41.975   6.4455  689.430  114.670  399.020  301.829  738.418  123.965   34.051   12.152   49.898   4.3016 -15.84623 12.89095 
1 1 1   17   32  -11 o   25.883   11.080 -603.3359  220.020  107.025  295.116 -1492.2510  330.129   25.883   11.080  ?   ?       ?      ? 
1 1 1   17   33  -11 o   21.476   8.9693   77.327  185.616   0.0000   0.0000   77.327  185.616  ?   ?    21.476   8.9693      ?      ? 
1 1 1   17   34  -11 o   12.775   6.2436 -252.0834  152.536   0.0000   0.0000 -252.0834  152.536  ?   ?    12.775   6.2436      ?      ? 
1 1 1   17   35  -11 o   60.351   7.1080  1299.74  235.441  995.235  333.588  1601.97  332.342   51.191   11.557   69.512   8.2783 -18.32095 14.21599 
1 1 1   17   36  -11 o   21.434   6.8436 -79.7339  131.024  287.352  327.994 -149.4344  142.922   29.187   12.033   13.682   6.5229 15.50564 13.68715 
1 1 1   17   37  -11 o   37.595   7.0032  549.716  140.026  462.059  326.213  569.515  155.035   32.958   12.481   42.231   6.3565 -9.272362 14.00637 
1 1 1   17   38  -11 o   43.400   6.4521  641.441  142.738  587.534  165.867  795.313  280.232   42.316   6.7869   44.484   10.975 -2.167896 12.90424 
1 1 1   17    0  -12 o  114.898   3.6964  3964.64  233.645  2724.45  333.246  5163.67  327.671   96.398   6.0400  133.398   4.2629 -0.000000 0.000000 
1 1 1   17    1  -12 o   39.758   7.9998  469.781  188.163  433.816  238.383  529.225  306.471   37.788   10.530   41.727   12.046 -3.939030 15.99958 
1 1 1   17    2  -12 o  145.352   2.6501  6104.27  220.759  6010.75  293.495  6226.11  335.009  144.096   3.5267  146.608   3.9565 -2.512054 5.300133 
1 1 1   17    3  -12 o   89.345   4.3393  2313.79  223.913  2313.79  223.913   0.0000   0.0000   89.345   4.3393  ?   ?       ?      ? 
1 1 1   17    4  -12 o   94.058   3.7730  2551.59  199.849  2647.99  323.101  2491.85  254.339   95.432   5.8622   92.684   4.7514 2.747757 7.545903 
1 1 1   17    5  -12 o   72.925   4.6356  1542.36  195.241   0.0000   0.0000  1542.36  195.241  ?   ?    72.925   4.6356      ?      ? 
1 1 1   17    6  -12 o  105.354   3.2721  3172.72  182.538  3335.21  336.921  3105.22  217.173  107.148   5.4445  103.559   3.6310 3.588806 6.544235 
1 1 1   17    7  -12 o  260.375   2.0644 19528.96  297.218 19329.35  369.363 19895.62  500.609  258.559   2.4735  262.190   3.3060 -3.631226 4.128858 
1 1 1   17    8  -12 o   93.917   4.8543  2557.90  260.335  2065.15  354.679  3133.47  383.324   84.104   7.3019  103.730   6.3985 -19.62595 9.708658 
1 1 1   17    9  -12 o  110.081   3.7275  3509.49  236.982  3509.49  236.982   0.0000   0.0000  110.081   3.7275  ?   ?       ?      ? 
1 1 1   17   10  -12 o   88.602   4.0190  2308.59  203.254  2034.97  298.837  2544.13  277.262   83.604   6.1890   93.599   5.1290 -9.995117 8.038071 
1 1 1   17   11  -12 o  150.216   2.0151  6528.58  174.787  6381.78  247.209  6675.32  247.163  148.524   2.8819  151.908   2.8172 -3.383591 4.030145 
1 1 1   17   12  -12 o   79.992   3.7313  1847.61  171.413  1755.31  228.446  1966.52  259.303   77.738   5.0882   82.246   5.4589 -4.507881 7.462569 
1 1 1   17   13  -12 o   57.214   6.3948  967.432  204.214  784.815  275.790  1189.10  303.849   50.764   9.7613   63.664   8.2638 -12.90049 12.78957 
1 1 1   17   14  -12 o   40.980   8.8654  488.579  227.165  622.458  358.566  398.815  293.605   44.976   13.043   36.985   12.011 7.991558 17.73086 
1 1 1   17   15  -12 o  143.396   2.5249  5983.35  199.076  6044.19  247.046  5870.68  336.188  144.513   2.9600  142.279   4.0912 2.233658 5.049713 
1 1 1   17   16  -12 o  139.676   2.9427  5596.54  185.139  5762.19  430.669  5559.00  205.053  140.729   5.2988  138.624   2.5612 2.105087 5.885299 
1 1 1   17   17  -12 o   55.561   5.8890  900.279  188.972   0.0000   0.0000  900.279  188.972  ?   ?    55.561   5.8890      ?      ? 
1 1 1   17   18  -12 o   75.591   4.9029  1662.17  214.047   0.0000   0.0000  1662.17  214.047  ?   ?    75.591   4.9029      ?      ? 
1 1 1   17   19  -12 f  113.754   2.5832  3748.56  168.592  3793.10  254.058  3713.51  225.364  114.330   3.8476  113.178   3.4478 1.151665 5.166316 
1 1 1   17   20  -12 o   48.384   8.5588  699.515  240.042  491.453  310.043  1010.85  379.265   39.996   12.260   56.771   11.946 -16.77469 17.11754 
1 1 1   17   21  -12 o   73.653   4.9667  1474.31  188.580  1877.66  378.271  1340.91  217.541   79.576   8.2307   67.729   5.5613 11.84642 9.933407 
1 1 1   17   22  -12 o   32.918   8.3666  254.651  180.329  409.669  364.190  204.300  207.559   37.869   13.366   27.967   10.067 9.902414 16.73313 
1 1 1   17   23  -12 o   91.147   3.6263  2414.71  190.893   0.0000   0.0000  2414.71  190.893  ?   ?    91.147   3.6263      ?      ? 
1 1 1   17   24  -12 o   13.924   6.8001 -325.1529  179.887   0.0000   0.0000 -325.1529  179.887  ?   ?    13.924   6.8001      ?      ? 
1 1 1   17   25  -12 o   20.214   6.5252 -91.1881  156.281 -431.2161  338.981   0.5925  176.114   20.594   9.8794   19.833   8.5270 0.7607536 13.05039 
1 1 1   17   26  -12 o   21.354   7.0424 -123.6361  163.383 -189.8402  385.963 -109.1827  180.338   25.326   11.618   17.383   7.9623 7.943077 14.08481 
1 1 1   17   27  -12 o   50.313   4.6703  744.808  135.709   0.0000   0.0000  744.808  135.709  ?   ?    50.313   4.6703      ?      ? 
1 1 1   17   28  -12 o   26.931   9.2418  216.531  173.452   0.0000   0.0000  216.531  173.452  ?   ?    26.931   9.2418      ?      ? 
1 1 1   17   29  -12 o   18.380   6.2395 -253.3790  160.474 -184.2998  314.202 -277.7574  186.654   22.055   10.246   14.705   7.1229 7.349299 12.47897 
1 1 1   17   30  -12 o   55.425   5.6813  936.769  144.714  1045.55  314.690  907.594  162.969   55.781   10.142   55.068   5.1241 0.7129669 11.36268 
1 1 1   17   31  -12 o   19.357   8.2376   33.185  161.352   0.0000   0.0000   33.185  161.352  ?   ?    19.357   8.2376      ?      ? 
1 1 1   17   32  -12 o   35.762   8.7850  485.015  224.706  400.903  349.191  544.462  293.563   33.487   12.857   38.037   11.975 -4.549732 17.57006 
1 1 1   17   33  -12 o   16.981   5.9510 -596.9550  222.408 -852.6207  345.651 -416.3138  290.543   16.346   8.2157   17.617   8.6115 -1.270939 11.90190 
1 1 1   17   34  -12 o   63.114   4.9044  1208.15  178.773   0.0000   0.0000  1208.15  178.773  ?   ?    63.114   4.9044      ?      ? 
1 1 1   17   35  -12 o   16.035   5.6516 -292.2209  142.296 -389.8491  338.642 -271.2872  156.811   19.361   9.4274   12.708   6.2359 6.652313 11.30317 
1 1 1   17   36  -12 o   41.840   7.2224  519.118  141.891  947.872  337.643  427.159  156.368   48.365   12.114   35.315   7.8681 13.05014 14.44473 
1 1 1   17   37  -12 o   32.249   7.1641  284.666  127.082  698.661  289.192  185.589  141.473   40.993   11.660   23.506   8.3270 17.48625 14.32826 
1 1 1   17   38  -12 o   22.891   5.9904  175.836  105.260  153.078  146.639  200.026  151.184   21.891   8.3491   23.890   8.5925 -1.999495 11.98082 
1 1 1   17    0  -13 o  130.449   2.9760  4980.25  218.924  4720.59  341.889  5160.71  285.023  127.462   4.6584  133.436   3.7049 -0.000000 0.000000 
1 1 1   17    1  -13 o  102.724   3.6177  2870.18  175.920  2737.73  196.378  3408.35  395.850   97.247   3.4965  108.201   6.3346 -10.95301 7.235459 
1 1 1   17    2  -13 o  211.114   1.9079 12942.11  206.894 12773.95  395.729 13005.37  242.707  210.094   3.2614  212.134   1.9810 -2.039505 3.815870 
1 1 1   17    3  -13 o   27.547   8.0612 -16.2704  188.417 -112.3109  217.354  274.098  377.934   19.793   8.9379   35.300   13.418 -15.50772 16.12233 
1 1 1   17    4  -13 o   60.486   6.5132  1065.73  227.530  1065.73  227.530   0.0000   0.0000   60.486   6.5132  ?   ?       ?      ? 
1 1 1   17    5  -13 o   96.133   3.4934  2617.67  187.562  2445.02  233.634  2930.67  314.571   91.831   4.4051  100.435   5.4231 -8.603516 6.986805 
1 1 1   17    6  -13 o  133.674   3.0307  5243.08  203.384  5309.75  236.116  5051.35  400.384  135.471   3.0178  131.878   5.2568 3.593048 6.061445 
1 1 1   17    7  -13 o   22.631   6.7247   7.4676  152.761 -88.4971  219.154   98.159  213.048   20.378   9.1065   24.883   9.8973 -4.504156 13.44934 
1 1 1   17    8  -13 o   50.145   9.4929  763.369  264.856   0.0000   0.0000  763.369  264.856  ?   ?    50.145   9.4929      ?      ? 
1 1 1   17    9  -13 o  107.236   3.0285  3315.78  186.889  2954.41  254.767  3736.81  274.994  100.936   4.3703  113.536   4.1938 -12.60004 6.056984 
1 1 1   17   10  -13 o   80.376   5.4394  1930.39  243.881  2071.07  314.269  1717.40  386.681   84.293   6.4555   76.460   8.7565 7.832291 10.87887 
1 1 1   17   11  -13 o   72.514   5.0089  1557.73  198.727  1465.95  334.933  1607.59  246.879   70.700   8.2026   74.328   5.7511 -3.627625 10.01786 
1 1 1   17   12  -13 o   18.774   6.3373 -359.7616  192.946 -229.0950  245.594 -570.4507  311.858   19.209   8.9690   18.339   8.9555 0.8697109 12.67455 
1 1 1   17   13  -13 o   78.100   4.9189  1787.25  221.277  1880.03  307.617  1687.77  318.534   80.248   6.6373   75.953   7.2615 4.294861 9.837836 
1 1 1   17   14  -13 o  129.033   2.9429  4923.38  179.420  4666.12  383.535  4995.45  203.002  126.663   5.2429  131.403   2.6749 -4.739906 5.885825 
1 1 1   17   15  -13 o   74.128   4.2407  1578.66  180.150  1865.50  273.678  1359.34  239.308   79.991   5.9240   68.266   6.0697 11.72490 8.481473 
1 1 1   17   16  -13 o   67.918   5.8730  1374.39  168.260  1335.06  417.123  1382.03  183.885   66.870   10.801   68.967   4.6166 -2.097137 11.74593 
1 1 1   17   17  -13 o  101.450   3.4618  2983.10  202.829   0.0000   0.0000  2983.10  202.829  ?   ?   101.450   3.4618      ?      ? 
1 1 1   17   18  -13 o   19.019   6.4020 -307.1363  164.796 -146.5731  312.917 -368.7611  193.858   23.729   10.719   14.310   7.0033 9.419273 12.80401 
1 1 1   17   19  -13 o   94.119   4.2457  2574.81  230.788   0.0000   0.0000  2574.81  230.788  ?   ?    94.119   4.2457      ?      ? 
1 1 1   17   20  -13 o  102.294   3.6161  3032.31  145.940  3081.78  397.735  3024.62  156.883  102.389   6.7260  102.200   2.6579 0.1894302 7.232101 
1 1 1   17   21  -13 o   71.897   6.4208  1549.61  266.097  1473.90  381.286  1621.50  371.539   70.086   9.4197   73.708   8.7278 -3.622078 12.84153 
1 1 1   17   22  -13 o   91.659   5.3874  2506.31  282.088  2577.39  375.855  2414.63  426.860   93.361   6.9706   89.956   8.2162 3.404961 10.77471 
1 1 1   17   23  -13 o   55.990   7.0861  1028.50  199.427  834.612  362.219  1112.84  238.895   50.675   12.463   61.304   6.7474 -10.62884 14.17211 
1 1 1   17   24  -13 o   53.777   6.4489  840.643  159.256  988.085  354.530  803.370  178.252   55.387   11.461   52.167   5.9163 3.219624 12.89788 
1 1 1   17   25  -13 o   26.818   6.3162  207.071  113.334  248.030  176.654  178.420  147.748   28.658   9.3172   24.978   8.5302 3.680241 12.63231 
1 1 1   17   26  -13 o   62.117   3.8084  1117.94  133.006  1242.66  218.748  1044.79  167.533   64.675   5.8563   59.560   4.8704 5.114891 7.616860 
1 1 1   17   27  -13 o   26.222   7.1146   57.757  137.990  395.190  289.032 -41.8608  157.043   35.017   11.931   17.426   7.7537 17.59101 14.22913 
1 1 1   17   28  -13 o   13.328   4.6255 -368.3120  127.244 -644.0242  204.609 -194.4343  162.487   12.121   6.1209   14.535   6.9366 -2.413668 9.251077 
1 1 1   17   29  -13 o   57.022   4.7010  966.580  154.818   0.0000   0.0000  966.580  154.818  ?   ?    57.022   4.7010      ?      ? 
1 1 1   17   30  -13 o   18.134   6.0031 -198.8417  153.404 -307.7186  196.759 -30.0669  244.974   14.735   7.1776   21.532   9.6245 -6.796220 12.00617 
1 1 1   17   31  -13 o   70.798   3.2563  1490.11  128.687  1540.41  212.234  1460.86  161.830   71.427   5.1448   70.169   3.9933 1.258118 6.512661 
1 1 1   17   32  -13 o   20.629   6.6970 -75.9833  167.948 -103.5886  202.848 -15.8133  299.478   17.968   8.3074   23.289   10.506 -5.321173 13.39397 
1 1 1   17   33  -13 o   77.536   4.4244  1835.24  194.165  2077.19  313.554  1684.77  247.280   81.183   6.6875   73.889   5.7947 7.294418 8.848754 
1 1 1   17   34  -13 o   23.483   6.1135  169.923  109.436  187.947  148.011  148.188  162.539   24.160   8.5217   22.806   8.7682 1.354008 12.22703 
1 1 1   17   35  -13 o   36.288   6.4759  475.917  131.744  450.639  227.015  488.754  161.772   34.461   10.477   38.116   7.6152 -3.654850 12.95186 
1 1 1   17   36  -13 o   41.818   6.2106  622.103  142.753  613.833  225.715  627.617  184.293   40.663   9.7395   42.972   7.7089 -2.309692 12.42115 
1 1 1   17   37  -13 o   21.537   6.8951   21.824  185.255 -83.2471  299.116   87.208  235.956   20.908   9.8060   22.166   9.6960 -1.258289 13.79021 
1 1 1   17    0  -14 o  159.084   3.1243  7327.83  285.937  7163.90  389.974  7518.43  420.502  157.176   4.3033  160.991   4.5306 -0.000000 0.000000 
1 1 1   17    1  -14 o  105.983   3.7304  3336.65  193.588  3405.71  222.598  3122.29  392.179  108.454   3.5538  103.511   6.5601 4.942665 7.460852 
1 1 1   17    2  -14 o   15.326   5.4991 -588.8282  163.192 -541.2637  183.486 -768.8753  356.990   12.011   6.0300   18.641   9.1978 -6.630193 10.99825 
1 1 1   17    3  -14 o   88.744   3.7334  2288.76  191.167  2263.61  275.635  2312.06  265.360   88.262   5.4073   89.227   5.1494 -0.9652863 7.466889 
1 1 1   17    4  -14 o   64.408   5.4427  1200.45  200.226  1132.59  261.426  1296.74  311.412   62.274   7.2687   66.543   8.1030 -4.269432 10.88548 
1 1 1   17    5  -14 o  114.830   3.8531  3808.71  235.755  3893.68  427.375  3771.54  282.651  115.605   6.4010  114.055   4.2909 1.550079 7.706139 
1 1 1   17    6  -14 o  176.417   2.2842  9052.62  217.293  8883.11  381.633  9133.93  264.322  175.116   3.7734  177.719   2.5752 -2.603592 4.568418 
1 1 1   17    7  -14 o   93.722   4.4811  2595.36  201.477  2493.94  422.825  2625.15  229.167   92.284   7.9332   95.160   4.1698 -2.876312 8.962298 
1 1 1   17    8  -14 o   77.569   3.8971  1752.59  174.269  1680.24  250.648  1820.28  242.464   75.997   5.7106   79.141   5.3047 -3.143730 7.794278 
1 1 1   17    9  -14 o   70.943   4.8370  1526.33  180.521  1620.82  218.720  1324.43  319.721   74.695   5.0701   67.192   8.2389 7.502472 9.673929 
1 1 1   17   10  -14 o   65.162   5.2124  1234.16  196.163   0.0000   0.0000  1234.16  196.163  ?   ?    65.162   5.2124      ?      ? 
1 1 1   17   11  -14 f  137.532   3.1758  5590.81  228.873  5739.20  273.576  5244.72  417.792  140.779   3.3648  134.284   5.3870 6.495178 6.351525 
1 1 1   17   12  -14 o   40.742   9.4080  492.431  251.952  415.270  415.667  537.245  316.778   39.590   14.247   41.893   12.291 -2.303249 18.81598 
1 1 1   17   13  -14 o   48.573   8.1310  745.514  219.365  661.773  363.633  793.426  275.051   46.160   13.056   50.985   9.6951 -4.825119 16.26198 
1 1 1   17   14  -14 o   89.436   5.3910  2328.82  278.463   0.0000   0.0000  2328.82  278.463  ?   ?    89.436   5.3910      ?      ? 
1 1 1   17   15  -14 f   64.981   5.0753  1212.53  188.472  1440.72  292.727  1050.95  246.320   70.087   7.2317   59.874   7.1232 10.21299 10.15069 
1 1 1   17   16  -14 o  169.259   2.2903  8300.29  223.728  8309.61  322.619  8291.66  310.527  169.340   3.2987  169.178   3.1781 0.1620636 4.580597 
1 1 1   17   17  -14 o   44.682   9.0275  612.438  224.943   0.0000   0.0000  612.438  224.943  ?   ?    44.682   9.0275      ?      ? 
1 1 1   17   18  -14 o   58.692   5.6124  1090.24  172.670  1272.81  222.237  812.157  274.277   65.976   5.8324   51.409   9.5905 14.56652 11.22472 
1 1 1   17   19  -14 o   41.824   6.5863  546.090  152.939  568.042  198.233  513.809  240.389   43.088   8.2665   40.561   10.256 2.527634 13.17253 
1 1 1   17   20  -14 o   74.002   5.5744  1700.85  212.542  1811.64  254.620  1446.25  385.989   78.657   5.6049   69.347   9.6374 9.309624 11.14876 
1 1 1   17   21  -14 o   87.861   4.0339  2182.23  165.939  2125.56  185.393  2410.50  372.118   85.495   3.7546   90.227   7.1410 -4.731796 8.067898 
1 1 1   17   22  -14 o   62.507   4.6386  1042.58  141.241  1376.10  311.050  955.953  158.526   67.846   7.9382   57.169   4.8013 10.67706 9.277261 
1 1 1   17   23  -14 o   35.496   6.5328  408.766  133.336  331.778  224.895  450.496  165.575   32.854   10.496   38.139   7.7805 -5.284950 13.06561 
1 1 1   17   24  -14 o   17.836   5.4847 -105.9510  114.314   99.135  174.158 -261.1913  151.523   22.729   8.9776   12.943   6.3034 9.785971 10.96947 
1 1 1   17   25  -14 o   75.787   4.5305  1644.21  168.951  1854.66  354.184  1582.22  192.231   78.175   7.8447   73.399   4.5347 4.775414 9.061071 
1 1 1   17   26  -14 o   25.051   7.4103   39.460  183.398  208.642  279.716 -88.1085  242.892   29.219   11.427   20.883   9.4376 8.335983 14.82066 
1 1 1   17   27  -14 o   17.277   5.5555 -79.7337  120.899 -85.4499  178.846 -74.9234  164.064   17.583   8.0061   16.970   7.7044 0.6125526 11.11107 
1 1 1   17   28  -14 o   54.983   4.6675  853.686  127.972  1066.16  268.264  791.090  145.607   58.418   7.9512   51.548   4.8909 6.869965 9.334993 
1 1 1   17   29  -14 o   25.469   7.0766  116.063  149.426  311.682  257.440   16.675  183.500   30.934   11.200   20.004   8.6522 10.92967 14.15313 
1 1 1   17   30  -14 o   14.765   5.1788 -489.3358  167.507 -771.0782  283.039 -337.4639  207.807   14.635   7.3663   14.894   7.2812 -0.2591963 10.35758 
1 1 1   17   31  -14 o   47.682   6.6476  757.137  170.038  699.765  210.446  865.029  288.593   45.967   8.2292   49.397   10.442 -3.430569 13.29524 
1 1 1   17   32  -14 o   42.517   6.5469  630.425  112.712  635.050  121.077  600.379  308.588   45.947   4.5627   39.087   12.273 6.859856 13.09380 
1 1 1   17   33  -14 o   20.453   6.2312   73.218  110.390  115.124  116.329 -306.0084  349.947   20.207   7.4940   20.698   9.9576 -0.4911518 12.46250 
1 1 1   17   34  -14 f   45.433   5.9338  737.076  137.445  599.133  243.401  801.654  166.539   40.041   10.424   50.825   5.6735 -10.78411 11.86764 
1 1 1   17   35  -14 o   32.329   7.9507  422.525  183.391  333.478  325.998  463.752  221.818   29.829   12.111   34.829   10.304 -5.000076 15.90142 
1 1 1   17   36  -14 o   17.871   6.0926 -195.0658  160.689 -104.4701  306.105 -229.5282  188.794   20.959   9.8588   14.783   7.1614 6.175808 12.18524 
1 1 1   17    0  -15 o  147.713   3.4125  6319.01  290.773  6319.01  290.773   0.0000   0.0000  147.713   3.4125  147.713   3.4125 -0.000000 0.000000 
1 1 1   17    1  -15 o  105.223   2.4870  3240.09  147.324  3371.29  190.529  3045.00  232.329  107.936   3.0564  102.510   3.9242 5.425735 4.974022 
1 1 1   17    2  -15 o   26.767   6.8994  118.992  165.009  326.300  206.979 -242.5547  273.339   33.090   9.9911   20.444   9.5177 12.64628 13.79887 
1 1 1   17    3  -15 o   73.567   3.6603  1580.79  153.108  1521.79  235.917  1623.73  201.248   72.333   5.6473   74.802   4.6584 -2.469177 7.320641 
1 1 1   17    4  -15 o  197.968   1.6224 11330.93  185.423 11328.90  258.642 11333.07  265.966  197.953   2.2623  197.983   2.3260 -0.2983093E-01 3.244750 
1 1 1   17    5  -15 o  107.970   3.4818  3365.59  207.258  3451.06  351.776  3320.15  256.507  108.926   5.5918  107.013   4.1503 1.913048 6.963666 
1 1 1   17    6  -15 o   26.934   7.5858  126.521  172.702 -238.2279  381.381  220.609  193.700   25.384   11.610   28.483   9.7668 -3.098665 15.17151 
1 1 1   17    7  -15 o   69.064   4.1308  1399.58  160.500  1338.07  254.750  1440.07  206.678   67.727   6.5127   70.400   5.0832 -2.672676 8.261631 
1 1 1   17    8  -15 o  138.310   2.6597  5519.08  202.543  5464.00  250.473  5623.16  344.285  137.388   3.1567  139.232   4.2815 -1.844116 5.319364 
1 1 1   17    9  -15 o   58.362   6.8332  1108.47  181.325  877.312  375.097  1178.96  207.135   53.082   12.450   63.641   5.6354 -10.55966 13.66649 
1 1 1   17   10  -15 o   53.859   5.7155  930.103  158.439  665.065  258.669  1089.25  200.439   46.558   9.9232   61.161   5.6745 -14.60304 11.43105 
1 1 1   17   11  -15 o  122.538   3.6596  4522.36  236.264  4777.04  285.990  3974.94  419.290  128.360   3.8578  116.716   6.2201 11.64417 7.319290 
1 1 1   17   12  -15 o   74.149   4.6449  1465.62  170.321  1890.15  365.764  1348.08  192.461   80.203   7.8963   68.096   4.8937 12.10696 9.289804 
1 1 1   17   13  -15 o   27.617   7.5694  152.742  170.452  138.177  267.465  162.703  221.187   28.078   11.114   27.156   10.279 0.9214458 15.13871 
1 1 1   17   14  -15 o   28.827   7.2612  118.999  156.936 -27.4105  190.839  424.831  275.819   20.154   8.7701   37.500   11.575 -17.34640 14.52239 
1 1 1   17   15  -15 o  123.985   2.8217  4455.22  201.884  4265.46  278.920  4664.03  292.583  121.218   3.9841  126.753   3.9967 -5.534828 5.643308 
1 1 1   17   16  -15 o   67.462   4.9791  1360.14  177.643  1396.88  213.956  1278.59  318.732   69.200   5.3534   65.724   8.3968 3.475761 9.958207 
1 1 1   17   17  -15 o   33.157   8.5748  290.035  210.285  356.900  249.808  127.436  389.551   34.571   11.064   31.744   13.103 2.826593 17.14966 
1 1 1   17   18  -15 f   44.116   6.6987  590.375  159.385  560.175  196.956  647.679  271.305   42.763   8.2738   45.469   10.537 -2.706032 13.39744 
1 1 1   17   19  -15 o   62.754   6.1991  1167.90  223.048  1382.23  330.254  988.135  302.451   68.095   8.3975   57.413   9.1213 10.68137 12.39826 
1 1 1   17   20  -15 o   42.437   6.4578  504.352  140.776  711.187  272.916  429.368  164.324   47.555   10.240   37.319   7.8718 10.23672 12.91563 
1 1 1   17   21  -15 o   23.021   6.6076   82.153  127.234   66.553  238.904   88.329  150.326   24.627   10.221   21.416   8.3769 3.211382 13.21524 
1 1 1   17   22  -15 o   34.727   6.5438  373.855  125.795  385.442  231.558  369.004  149.833   34.998   10.568   34.457   7.7205 0.5403366 13.08761 
1 1 1   17   23  -15 o   92.347   4.2542  2495.04  226.895  2495.04  226.895   0.0000   0.0000   92.347   4.2542  ?   ?       ?      ? 
1 1 1   17   24  -15 o   28.779   6.8162  229.470  142.436  375.010  203.503   89.699  199.429   34.199   9.7995   23.360   9.4768 10.83845 13.63234 
1 1 1   17   25  -15 o   74.765   3.8461  1676.08  163.172  1763.97  215.452  1557.85  249.875   77.305   4.8257   72.225   5.9903 5.079239 7.692253 
1 1 1   17   26  -15 f   22.917   6.8849  -3.8867  141.000 -72.9113  162.731  204.023  282.427   16.944   7.6849   28.891   11.426 -11.94730 13.76971 
1 1 1   17   27  -15 o   20.671   6.3344   17.916  136.033 -73.6724  240.236   61.143  165.042   20.731   9.3758   20.611   8.5200 0.1195202 12.66873 
1 1 1   17   28  -15 o   29.217   6.6422  249.482  130.051  422.187  208.927  140.232  166.169   35.180   9.8774   23.254   8.8833 11.92610 13.28445 
1 1 1   17   29  -15 o   13.580   4.8011 -542.2734  156.179 -595.5333  219.366 -487.5273  222.406   13.060   6.5617   14.101   7.0104 -1.040727 9.602160 
1 1 1   17   30  -15 o   15.985   5.6366 -337.8892  147.872 -438.1593  335.097 -313.6423  164.783   19.194   9.3533   12.775   6.2929 6.419587 11.27321 
1 1 1   17   31  -15 o   19.976   8.4781   50.102  170.107   50.102  170.107   0.0000   0.0000   19.976   8.4781  ?   ?       ?      ? 
1 1 1   17   32  -15 o   26.683   5.9040  197.499   92.828  138.730  107.865  365.314  182.272   21.200   7.2872   32.165   9.2910 -10.96535 11.80793 
1 1 1   17   33  -15 o   15.792   5.7779 -297.9924  101.932 -311.9505  106.379 -141.4415  356.263   8.9650   4.5128   22.618   10.638 -13.65322 11.55571 
1 1 1   17   34  -15 o   29.436   5.2593  297.545   89.593  324.125  119.573  263.522  135.284   31.269   6.8137   27.604   8.0133 3.665466 10.51854 
1 1 1   17   35  -15 o   32.934   7.6871  437.476  171.739  487.386  233.853  379.045  253.029   35.080   10.626   30.787   11.111 4.292677 15.37419 
1 1 1   17   36  -15 o   27.920   5.5661  242.012   83.792  199.482   96.364  373.859  169.668   24.217   6.6751   31.624   8.9090 -7.406967 11.13227 
1 1 1   17    0  -16 o   30.304   10.186  389.533  199.506  357.141  255.732  439.902  318.897   28.775   13.598   31.832   15.169 -0.000000 0.000000 
1 1 1   17    1  -16 o  105.189   3.7849  3181.61  192.541  3152.36  218.544  3283.07  406.992  104.316   3.6275  106.062   6.6442 -1.746078 7.569890 
1 1 1   17    2  -16 o   63.548   6.3791  1266.38  198.972  1344.80  235.900  1073.04  370.391   67.945   6.0116   59.152   11.253 8.792484 12.75815 
1 1 1   17    3  -16 o  110.911   2.7383  3593.50  169.958  3447.66  273.912  3684.79  216.723  109.014   4.3505  112.809   3.3264 -3.794579 5.476519 
1 1 1   17    4  -16 o  120.550   2.2420  4205.79  155.920  4231.04  226.225  4182.95  215.196  120.888   3.2402  120.212   3.0996 0.6757584 4.483987 
1 1 1   17    5  -16 o   68.531   4.5484  1378.34  174.242  1403.66  221.461  1337.21  282.299   69.454   5.5209   67.607   7.2298 1.847084 9.096774 
1 1 1   17    6  -16 o   23.396   6.8404 -29.1946  153.015  194.558  255.082 -154.9678  191.245   29.377   11.057   17.414   8.0566 11.96318 13.68084 
1 1 1   17    7  -16 o   70.372   6.2369  1452.52  252.528  1387.61  339.911  1532.48  377.259   68.664   8.5713   72.080   9.0623 -3.415588 12.47372 
1 1 1   17    8  -16 o  123.987   2.3785  4427.24  168.710  4631.42  259.356  4277.46  222.129  126.429   3.5519  121.544   3.1644 4.884964 4.757035 
1 1 1   17    9  -16 o   16.911   5.6641 -241.9219  145.478 -266.6650  192.906 -209.2930  221.523   15.631   7.4864   18.191   8.5019 -2.559924 11.32825 
1 1 1   17   10  -16 o   29.906   7.0610  247.074  161.826 -84.9995  291.937  394.369  194.432   23.960   10.620   35.851   9.3081 -11.89145 14.12204 
1 1 1   17   11  -16 o   52.837   7.1546  841.372  195.070  857.085  360.940  834.889  231.846   52.353   12.169   53.321   7.5286 -0.9680862 14.30924 
1 1 1   17   12  -16 o   18.333   6.2676 -422.7877  196.416 -405.1295  253.094 -449.5265  311.444   17.157   8.3065   19.510   9.3879 -2.352749 12.53518 
1 1 1   17   13  -16 o   59.840   4.7128  1069.36  150.727  1105.60  183.355  993.836  264.705   61.607   5.1532   58.073   7.8923 3.534168 9.425677 
1 1 1   17   14  -16 o   33.040   7.4182  322.926  165.465  188.122  249.649  428.538  220.971   28.844   10.920   37.237   10.044 -8.392931 14.83641 
1 1 1   17   15  -16 o   79.966   3.0802  1850.13  141.879  1724.64  192.398  1999.73  210.058   77.012   4.3257   82.919   4.3863 -5.906761 6.160446 
1 1 1   17   16  -16 o   47.363   6.1296  717.057  158.628  1031.00  221.569  386.942  227.203   59.256   6.4743   35.469   10.410 23.78645 12.25918 
1 1 1   17   17  -16 o   28.142   8.1564   84.487  209.350  207.493  331.756   3.0944  269.866   31.702   12.432   24.582   10.562 7.119282 16.31286 
1 1 1   17   18  -16 o   46.361   5.5646  651.442  143.569  797.033  206.408  514.987  199.826   51.953   6.8790   40.768   8.7487 11.18490 11.12927 
1 1 1   17   19  -16 o   19.180   6.0810 -42.3124  123.565 -151.0012  255.292  -9.0599  141.207   20.742   9.4910   17.617   7.6049 3.125048 12.16196 
1 1 1   17   20  -16 o   60.201   7.0627  1123.20  202.085  1123.06  231.784  1123.62  412.634   61.598   6.5152   58.804   12.533 2.794559 14.12545 
1 1 1   17   21  -16 o   80.920   4.1946  2057.37  171.881  2222.81  204.798  1663.18  316.125   87.262   4.0637   74.579   7.3393 12.68255 8.389213 
1 1 1   17   22  -16 o   23.306   7.4115 -95.2476  208.790 -78.6898  300.405 -110.7206  290.398   23.799   10.647   22.813   10.314 0.9862003 14.82309 
1 1 1   17   23  -16 o   26.150   7.5815  104.912  136.434  194.533  359.970   89.879  147.434   31.155   12.697   21.145   8.2890 10.01038 15.16302 
1 1 1   17   24  -16 o   57.023   4.7615  986.959  155.299  912.830  230.255  1048.82  210.346   54.847   7.2689   59.198   6.1523 -4.351109 9.523053 
1 1 1   17   25  -16 o   38.461   7.0020  463.163  140.222  542.753  285.136  437.776  161.040   39.800   11.657   37.122   7.7611 2.678062 14.00397 
1 1 1   17   26  -16 o   40.720   6.2751  536.146  143.338  647.994  214.378  445.717  192.762   44.724   8.6120   36.716   9.1290 8.007725 12.55013 
1 1 1   17   27  -16 o   21.288   6.9169 -164.6391  150.375  162.441  341.405 -243.3672  167.497   28.605   12.068   13.971   6.7625 14.63356 13.83376 
1 1 1   17   28  -16 o   33.162   6.7320  355.987  130.172  304.967  159.594  457.393  224.996   30.198   8.6855   36.127   10.288 -5.928581 13.46399 
1 1 1   17   29  -16 o   34.481   6.0550  375.554  129.163  654.169  199.874  175.776  169.250   44.586   8.0586   24.376   9.0394 20.20962 12.11000 
1 1 1   17   30  -16 o   32.392   6.3402  371.606  122.081  310.790  204.656  405.199  152.106   29.864   10.040   34.919   7.7450 -5.055178 12.68034 
1 1 1   17   31  -16 o   45.603   3.2737  579.599   79.567  511.457   93.643  756.544  150.899   41.430   3.9136   49.777   5.2489 -8.347458 6.547325 
1 1 1   17   32  -16 f   14.936   4.8869 -80.7243   99.210 -43.6549  127.698 -137.1684  157.574   15.057   6.8205   14.815   7.0005 0.2423706 9.773778 
1 1 1   17   33  -16 o   35.073   6.6434  423.488  128.440  385.630  152.772  514.760  237.213   33.467   8.0105   36.679   10.600 -3.211567 13.28679 
1 1 1   17   34  -16 o   30.964   5.1725  361.094  105.859  530.357  135.630   97.262  169.332   41.091   5.7152   20.837   8.6231 20.25323 10.34509 
1 1 1   17   35  -16 o   27.100   5.0992  279.558   82.537  321.162   94.163  141.588  171.476   32.127   5.0749   22.074   8.8460 10.05338 10.19833 
1 1 1   17    0  -17 o   44.216   9.8908  651.243  206.461  545.576  243.559  921.045  389.184   38.302   12.445   50.131   15.376 -0.000000 0.000000 
1 1 1   17    1  -17 o   90.818   3.4699  2377.54  177.982  2488.22  285.902  2307.50  227.425   92.475   5.3531   89.161   4.4165 3.314346 6.939831 
1 1 1   17    2  -17 o   87.347   3.2607  2231.72  161.651  2123.02  249.658  2310.19  212.119   85.453   5.0587   89.242   4.1155 -3.789459 6.521303 
1 1 1   17    3  -17 o   57.737   4.8502  970.131  161.309  910.493  218.680  1041.31  238.909   55.808   6.7847   59.666   6.9330 -3.858631 9.700413 
1 1 1   17    4  -17 o   19.370   6.1764 -99.1404  145.392 -137.6734  222.541 -70.4449  192.045   19.524   8.9058   19.216   8.5603 0.3084259 12.35278 
1 1 1   17    5  -17 f   79.711   3.2572  1842.84  149.829  1945.04  216.365  1748.69  207.682   81.834   4.5779   77.588   4.6347 4.245911 6.514418 
1 1 1   17    6  -17 o   24.593   7.6305 -65.1393  205.890 -112.8576  270.756   0.2853  317.034   22.451   10.071   26.736   11.466 -4.284821 15.26090 
1 1 1   17    7  -17 o   83.894   4.6909  2050.57  218.134  2085.80  364.910  2030.98  272.101   84.307   7.4944   83.481   5.6436 0.8260880 9.381749 
1 1 1   17    8  -17 o   49.483   5.6650  733.472  153.384  506.441  209.339  996.638  225.384   40.605   9.1463   58.361   6.6868 -17.75603 11.32998 
1 1 1   17    9  -17 o   60.630   7.3487  1273.60  200.757  1409.23  230.433  846.412  408.961   69.506   5.7403   51.753   13.530 17.75270 14.69748 
1 1 1   17   10  -17 o   45.818   9.5652  645.670  244.940   0.0000   0.0000  645.670  244.940  ?   ?    45.818   9.5652      ?      ? 
1 1 1   17   11  -17 o   80.448   4.5422  1881.81  211.039   0.0000   0.0000  1881.81  211.039  ?   ?    80.448   4.5422      ?      ? 
1 1 1   17   12  -17 o   35.820   7.6683  388.044  169.888  382.446  218.991  396.506  269.233   35.322   10.179   36.319   11.472 -0.9976311 15.33650 
1 1 1   17   13  -17 o   91.101   3.5047  2422.44  181.755  2442.03  238.330  2395.21  280.984   91.614   4.5044   90.588   5.3706 1.025894 7.009493 
1 1 1   17   14  -17 o   16.621   5.7683 -484.1163  183.556 -732.7941  318.593 -360.5536  224.575   17.119   8.4904   16.123   7.8106 0.9957466 11.53655 
1 1 1   17   15  -17 o   70.623   3.5613  1443.13  144.365  1240.24  195.093  1688.69  214.629   65.162   5.1839   76.084   4.8843 -10.92204 7.122502 
1 1 1   17   16  -17 o   53.915   4.6665  856.333  145.304  850.865  205.539  861.797  205.443   53.739   6.6224   54.091   6.5763 -0.3515930 9.332952 
1 1 1   17   17  -17 o   17.239   5.8570 -333.7539  169.890 -344.7852  244.984 -323.5341  235.800   17.343   8.3404   17.135   8.2255 0.2073421 11.71410 
1 1 1   17   18  -17 o   94.670   2.8327  2590.41  150.105  2529.02  189.148  2694.84  246.697   93.264   3.5116   96.076   4.4460 -2.811798 5.665496 
1 1 1   17   19  -17 o   29.052   6.7956  250.705  128.160  215.447  229.477  266.687  154.500   28.708   10.547   29.397   8.5721 -0.6887226 13.59124 
1 1 1   17   20  -17 o   21.244   6.1909   42.048  127.029 -59.3562  193.031  119.507  168.707   19.220   8.5708   23.268   8.9360 -4.047182 12.38187 
1 1 1   17   21  -17 o   17.356   5.9867 -283.7002  145.256 -285.7783  318.522 -283.1545  163.216   21.334   10.042   13.378   6.5210 7.956075 11.97337 
1 1 1   17   22  -17 o   24.166   7.4874 -176.3059  176.467  277.084  365.781 -313.8418  201.462   33.131   13.035   15.201   7.3719 17.92955 14.97477 
1 1 1   17   23  -17 o   17.519   5.7508 -108.4024  128.019 -267.8530  253.664 -53.9112  148.289   18.450   8.7661   16.587   7.4459 1.863144 11.50155 
1 1 1   17   24  -17 o   46.033   4.8414  600.171  116.663  753.459  226.855  545.055  136.029   49.347   7.9598   42.719   5.5135 6.627903 9.682850 
1 1 1   17   25  -17 o   46.844   7.0347  816.631  142.942  572.779  350.811  865.175  156.525   39.826   13.139   53.863   5.0316 -14.03717 14.06932 
1 1 1   17   26  -17 o   20.377   5.9342   67.089  111.757   35.476  178.490   87.474  143.328   20.306   8.6531   20.449   8.1229 -0.1430836 11.86833 
1 1 1   17   27  -17 o   13.356   4.6743 -314.9460  119.364 -370.4192  214.908 -290.1987  143.541   14.900   7.3091   11.811   5.8285 3.089240 9.348543 
1 1 1   17   28  -17 o   18.602   5.6607   20.600  110.355  -7.3853  162.060   44.797  150.691   18.124   7.9790   19.079   8.0319 -0.9548283 11.32150 
1 1 1   17   29  -17 o   21.363   6.3681   52.590  124.406   7.6044  148.706  157.496  227.086   17.772   7.7376   24.954   10.116 -7.182434 12.73625 
1 1 1   17   30  -17 o   40.173   5.5033  490.377  115.433  680.401  212.971  411.330  137.359   44.801   8.5426   35.544   6.9402 9.257511 11.00650 
1 1 1   17   31  -17 o   30.142   4.8320  317.727   71.466  337.748   80.559  243.764  154.839   33.563   4.1559   26.721   8.7247 6.842133 9.663998 
1 1 1   17   32  -17 o   45.727   4.5193  704.548  105.620  551.891  176.633  789.511  131.774   40.375   7.8576   51.078   4.4669 -10.70343 9.038559 
1 1 1   17   33  -17 o   19.986   7.1000  122.919  102.923  122.919  102.923   0.0000   0.0000   19.986   7.1000  ?   ?       ?      ? 
1 1 1   17   34  -17 o   32.787   5.6259  409.134   83.021  425.297   89.173  303.967  227.458   37.451   4.1227   28.123   10.469 9.327887 11.25173 
1 1 1   17    0  -18 o   27.636   10.484  288.601  222.133  196.760  273.333  467.237  381.206   22.737   13.058   32.536   16.405 -0.000000 0.000000 
1 1 1   17    1  -18 o   82.270   2.9089  1943.80  137.056  1816.29  180.336  2118.15  210.882   79.126   3.9462   85.415   4.2749 -6.288696 5.817818 
1 1 1   17    2  -18 o   15.312   5.4820 -820.5042  197.542 -894.8166  356.345 -787.5355  237.351   17.614   8.7758   13.009   6.5723 4.604162 10.96401 
1 1 1   17    3  -18 o   67.777   4.5647  1362.18  172.234  1421.26  219.230  1266.93  278.383   69.846   5.4347   65.708   7.3356 4.137817 9.129462 
1 1 1   17    4  -18 o   40.026   5.9234  486.505  135.367  345.076  190.049  632.147  192.859   33.629   9.4131   46.424   7.1931 -12.79484 11.84685 
1 1 1   17    5  -18 o   36.582   7.8069  274.451  160.531  713.328  348.283  156.062  180.891   47.691   12.495   25.473   9.3633 22.21804 15.61388 
1 1 1   17    6  -18 o   80.430   3.5361  1884.75  164.089  1948.62  229.717  1818.20  234.469   81.840   4.8601   79.019   5.1377 2.820587 7.072192 
1 1 1   17    7  -18 o   15.084   5.2816 -564.4100  172.416 -678.3447  247.822 -457.5269  240.030   14.285   7.1481   15.883   7.7774 -1.597809 10.56328 
1 1 1   17    8  -18 o   52.236   5.1442  775.980  152.120  937.548  246.947  677.182  193.108   56.437   7.5762   48.036   6.9607 8.401505 10.28836 
1 1 1   17    9  -18 o   78.927   5.1897  1815.80  236.564  1815.80  236.564   0.0000   0.0000   78.927   5.1897  ?   ?       ?      ? 
1 1 1   17   10  -18 o   27.092   11.140   87.079  280.184   0.0000   0.0000   87.079  280.184  ?   ?    27.092   11.140      ?      ? 
1 1 1   17   11  -18 o  149.107   2.6941  6490.57  220.374  6343.67  373.498  6569.03  272.948  147.674   4.3792  150.541   3.1393 -2.867172 5.388257 
1 1 1   17   12  -18 o   69.297   5.2776  1412.01  200.030  1436.75  344.044  1399.38  245.855   69.511   8.5699   69.084   6.1619 0.4265594 10.55521 
1 1 1   17   13  -18 o  130.542   3.1971  4942.68  241.038   0.0000   0.0000  4942.68  241.038  ?   ?   130.542   3.1971      ?      ? 
1 1 1   17   14  -18 o   77.357   4.6979  1784.13  174.639  1801.85  198.840  1724.35  365.253   78.644   4.3777   76.070   8.3137 2.574661 9.395890 
1 1 1   17   15  -18 o   52.175   5.1987  807.184  156.634  825.642  222.994  789.209  220.064   52.770   7.3167   51.580   7.3872 1.190445 10.39741 
1 1 1   17   16  -18 o   13.224   6.5737 -470.7956  195.280 -470.7956  195.280   0.0000   0.0000   13.224   6.5737  ?   ?       ?      ? 
1 1 1   17   17  -18 o   66.346   4.7399  1313.30  179.481  1244.45  271.139  1366.99  239.453   64.639   7.2630   68.054   6.0923 -3.415886 9.479790 
1 1 1   17   18  -18 o  ?   ?  -993.0693  130.839 -1028.8530  192.345 -962.2525  178.497  ?   ?   ?   ?       ?      ? 
1 1 1   17   19  -18 o   31.367   8.7769  309.148  165.257   0.0000   0.0000  309.148  165.257  ?   ?    31.367   8.7769      ?      ? 
1 1 1   17   20  -18 o   62.329   5.3153  1087.95  159.930  1022.45  179.726  1337.11  350.538   58.841   5.2887   65.817   9.2217 -6.976398 10.63063 
1 1 1   17   21  -18 o   44.679   6.7012  709.398  136.476  498.492  311.752  759.399  151.794   38.694   12.358   50.664   5.1877 -11.96997 13.40246 
1 1 1   17   22  -18 o   40.032   7.4418  538.291  147.396  450.031  367.644  555.195  160.893   37.137   13.394   42.928   6.4895 -5.790943 14.88354 
1 1 1   17   23  -18 o   18.152   8.5013 -559.6506  135.616 -179.5838  223.415 -781.3965  170.652   18.152   8.5013  ?   ?       ?      ? 
1 1 1   17   24  -18 o   16.247   5.7315 -497.0249  176.244 -500.6687  207.454 -487.5738  334.110   13.350   6.6583   19.144   9.3310 -5.793972 11.46300 
1 1 1   17   25  -18 o   47.436   6.0574  684.570  146.555  843.852  282.435  625.880  171.443   49.749   10.173   45.124   6.5786 4.625278 12.11486 
1 1 1   17   26  -18 o   33.349   6.3370  385.322  121.549  330.627  214.838  411.072  147.411   31.088   10.283   35.611   7.4086 -4.523685 12.67403 
1 1 1   17   27  -18 o   49.618   5.7645  803.708  160.128  686.271  222.877  929.000  230.211   45.115   8.8700   54.122   7.3649 -9.007183 11.52907 
1 1 1   17   28  -18 o   15.911   5.2222 -77.3505  107.235 -22.1602  123.282 -248.9275  217.368   15.481   6.8797   16.342   7.8584 -0.8613653 10.44436 
1 1 1   17   29  -18 o   31.974   5.9996  319.320  104.534  268.816  123.493  446.975  196.336   28.402   7.4397   35.546   9.4143 -7.144014 11.99913 
1 1 1   17   30  -18 o   47.629   4.1452  768.936   95.060  855.328  114.052  572.356  172.042   53.626   3.6825   41.633   7.4275 11.99297 8.290317 
1 1 1   17   31  -18 o   37.377   5.3794  447.581  100.412  428.012  115.951  506.270  200.801   37.227   5.3930   37.527   9.3096 -0.3007278 10.75883 
1 1 1   17   32  -18 o   19.444   5.5531   84.995   85.703   79.201   98.343  103.288  174.742   17.644   6.8102   21.245   8.7731 -3.601202 11.10613 
1 1 1   17   33  -18 o   29.456   5.2729  280.848   81.890  255.903   95.402  350.679  159.622   27.863   6.0977   31.048   8.6041 -3.185083 10.54575 
1 1 1   17    0  -19 o  125.928   4.1074  4678.36  293.386  4304.77  440.680  4975.77  393.190  121.200   6.3351  130.656   5.2296 -0.000000 0.000000 
1 1 1   17    1  -19 o   77.757   3.4921  1761.53  156.656  1729.40  225.585  1791.46  217.716   77.055   5.0690   78.460   4.8046 -1.404472 6.984205 
1 1 1   17    2  -19 o   78.485   3.4159  1793.00  154.811  1783.83  220.730  1801.88  217.184   78.280   4.8823   78.689   4.7789 -0.4083176 6.831881 
1 1 1   17    3  -19 o   85.270   4.8706  2116.71  239.862   0.0000   0.0000  2116.71  239.862  ?   ?    85.270   4.8706      ?      ? 
1 1 1   17    4  -19 f   84.343   4.8621  2085.57  218.549  2081.77  262.726  2094.11  393.781   84.481   5.3846   84.204   8.0973 0.2778854 9.724213 
1 1 1   17    5  -19 o   79.575   3.8440  1847.56  176.506  1843.71  244.405  1851.77  255.179   79.506   5.3226   79.645   5.5476 -0.1393127 7.688026 
1 1 1   17    6  -19 o   66.946   3.4483  1307.74  132.372  1285.06  198.511  1325.90  177.630   66.386   5.1775   67.506   4.5560 -1.120209 6.896660 
1 1 1   17    7  -19 o   29.368   7.3068  227.014  148.173  212.291  183.008  255.034  252.461   27.694   9.4935   31.041   11.110 -3.346657 14.61368 
1 1 1   17    8  -19 f   24.826   6.6343  137.784  130.124  138.766  180.507  136.721  187.753   24.725   9.3022   24.927   9.4617 -0.2023697 13.26851 
1 1 1   17    9  -19 o  120.966   3.3087  4244.25  231.157   0.0000   0.0000  4244.25  231.157  ?   ?   120.966   3.3087      ?      ? 
1 1 1   17   10  -19 o   43.737   7.4863  559.942  157.692  658.615  356.226  535.893  175.862   45.492   12.942   41.983   7.5296 3.509285 14.97264 
1 1 1   17   11  -19 o  130.912   2.5355  4975.36  191.663  5080.67  274.572  4875.28  267.664  132.261   3.5945  129.564   3.5770 2.697372 5.071052 
1 1 1   17   12  -19 o   64.640   5.0169  1296.93  177.386  1529.15  232.079  970.638  275.095   72.240   5.5625   57.039   8.3507 15.20108 10.03375 
1 1 1   17   13  -19 o   80.020   3.3970  1954.93  143.575  2104.83  175.284  1649.30  250.284   85.100   3.5664   74.939   5.7828 10.16080 6.794099 
1 1 1   17   14  -19 o   88.794   3.3910  2303.50  171.721  2293.01  225.530  2317.97  264.892   88.640   4.4054   88.948   5.1564 -0.3081207 6.782083 
1 1 1   17   15  -19 o   17.290   5.8024 -274.3641  153.047 -138.8733  238.074 -369.7943  199.802   20.042   9.1685   14.539   7.1142 5.502922 11.60486 
1 1 1   17   16  -19 o   53.185   4.3768  855.932  131.199  708.172  196.057  975.763  176.559   48.763   6.9616   57.607   5.3068 -8.844147 8.753651 
1 1 1   17   17  -19 o   82.659   4.2919  1915.13  156.643  2201.03  381.895  1857.30  171.756   85.511   7.7328   79.806   3.7264 5.704796 8.583854 
1 1 1   17   18  -19 o   17.478   5.6710 -133.3407  133.358 -40.0945  182.370 -240.5067  195.509   19.027   8.4158   15.928   7.6037 3.098358 11.34205 
1 1 1   17   19  -19 o   40.131   6.3453  480.036  142.115  717.150  233.133  339.820  179.277   47.639   8.7974   32.623   9.1463 15.01647 12.69052 
1 1 1   17   20  -19 o   39.460   6.2244  503.248  138.929  407.928  198.137  595.437  194.856   35.435   9.4912   43.485   8.0553 -8.050308 12.44873 
1 1 1   17   21  -19 o   53.546   5.5680  855.866  172.191   0.0000   0.0000  855.866  172.191  ?   ?    53.546   5.5680      ?      ? 
1 1 1   17   22  -19 o   32.473   7.2513  338.415  142.178  360.294  270.044  330.024  167.234   33.162   11.523   31.785   8.8065 1.377272 14.50268 
1 1 1   17   23  -19 o   58.673   4.4965  1074.51  133.122  1105.46  156.204  992.403  254.453   61.052   4.4301   56.295   7.8263 4.756939 8.993093 
1 1 1   17   24  -19 o   40.664   5.5207  554.131  117.023  598.852  142.629  462.017  204.697   44.499   5.5497   36.829   9.5452 7.670391 11.04132 
1 1 1   17   25  -19 o   12.837   6.1137 -141.5880  124.856   0.0000   0.0000 -141.5880  124.856  ?   ?    12.837   6.1137      ?      ? 
1 1 1   17   26  -19 o   27.705   5.5729  255.383   93.473  241.359  137.522  267.425  127.436   26.973   8.1440   28.438   7.6095 -1.465252 11.14579 
1 1 1   17   27  -19 o   14.188   4.8559 -225.8064  109.685 -283.9926  134.538 -110.4778  189.411   11.239   5.5640   17.138   7.9599 -5.898629 9.711724 
1 1 1   17   28  -19 o   16.843   5.2547 -27.2625  103.592 -114.4233  149.631   52.970  143.561   14.842   6.9528   18.845   7.8807 -4.003137 10.50932 
1 1 1   17   29  -19 o   11.334   3.9993 -369.9605  105.863 -250.0567  148.844 -492.7039  150.596   12.523   6.1303   10.145   5.1377 2.377804 7.998544 
1 1 1   17   30  -19 o   42.082   4.5059  573.429   94.580  584.130  112.194  547.147  175.830   43.959   4.4191   40.205   7.8539 3.753685 9.011841 
1 1 1   17   31  -19 o   37.749   4.4240  446.203   90.537  415.173  112.254  503.954  153.143   36.590   5.3119   38.907   7.0759 -2.316757 8.847920 
1 1 1   17   32  -19 o   24.208   5.6600  200.282   84.349  206.130   95.146  178.812  182.298   24.766   6.5510   23.649   9.2319 1.116631 11.32004 
1 1 1   17    0  -20 o   99.500   3.7084  2772.54  189.808  2626.81  221.034  3181.79  370.406   94.968   4.0466  104.032   6.2157 -0.000000 0.000000 
1 1 1   17    1  -20 o   63.282   4.2546  1196.04  148.258  1257.76  186.611  1090.40  244.129   65.687   4.9190   60.878   6.9434 4.808609 8.509250 
1 1 1   17    2  -20 o   69.519   4.3479  1440.18  171.521  1649.16  234.685  1200.56  251.302   75.139   5.4079   63.898   6.8096 11.24156 8.695813 
1 1 1   17    3  -20 o   32.434   6.9959  320.284  155.290  458.860  200.615  113.127  245.286   38.484   9.1586   26.385   10.578 12.09864 13.99173 
1 1 1   17    4  -20 o   24.035   7.0591   53.572  161.451   28.692  235.814   75.525  221.508   23.726   10.021   24.345   9.9450 -0.6184902 14.11817 
1 1 1   17    5  -20 o   93.600   2.7811  2544.64  150.149  2575.47  218.487  2517.05  206.690   94.124   4.0192   93.077   3.8450 1.047386 5.562167 
1 1 1   17    6  -20 o   86.386   3.3990  2093.39  159.700  1944.59  192.539  2421.47  285.897   81.772   4.0769   90.999   5.4398 -9.227753 6.798007 
1 1 1   17    7  -20 o   27.116   7.7873  110.414  189.657  159.037  241.599   32.337  306.151   27.535   10.661   26.698   11.354 0.8369141 15.57462 
1 1 1   17    8  -20 o  115.307   3.2470  4002.04  185.754  3627.46  365.660  4132.32  215.653  111.257   5.6907  119.357   3.1284 -8.100296 6.493910 
1 1 1   17    9  -20 o   34.845   8.2356  371.146  182.556  190.984  397.169  419.405  205.557   33.048   13.385   36.642   9.5986 -3.593666 16.47128 
1 1 1   17   10  -20 o   20.252   6.7123 -173.6205  165.468 -247.1098  345.553 -151.7562  188.482   23.341   10.810   17.162   7.9604 6.179665 13.42454 
1 1 1   17   11  -20 o   56.695   5.0252  893.844  154.891  1133.28  281.363  789.730  185.535   61.624   7.9055   51.765   6.2059 9.859589 10.05035 
1 1 1   17   12  -20 o   97.022   3.6784  2775.37  190.589  2719.27  340.038  2801.07  230.135   96.017   6.1319   98.028   4.0649 -2.011177 7.356868 
1 1 1   17   13  -20 o   75.944   4.8238  1721.14  191.460  1733.23  227.589  1691.88  354.137   76.859   5.1271   75.029   8.1725 1.829758 9.647678 
1 1 1   17   14  -20 o   20.373   6.2396 -93.2168  145.070 -267.4952  195.474  120.459  216.444   15.589   7.4847   25.158   9.9856 -9.569149 12.47928 
1 1 1   17   15  -20 o   43.282   6.7906  534.152  147.231  469.448  168.844  739.469  300.772   38.864   7.7935   47.700   11.122 -8.835838 13.58113 
1 1 1   17   16  -20 o   62.748   3.8975  1143.23  124.738  1208.46  244.497  1120.28  145.033   63.604   6.6558   61.891   4.0575 1.713844 7.795065 
1 1 1   17   17  -20 o   14.838   5.0662 -258.6197  123.722 -199.2121  201.743 -294.4308  156.634   16.891   7.9629   12.786   6.2655 4.104950 10.13230 
1 1 1   17   18  -20 f   41.966   4.9585  596.499  100.116  423.243  185.761  667.427  118.855   36.272   8.9276   47.659   4.3181 -11.38667 9.917081 
1 1 1   17   19  -20 o   26.827   6.8876  198.721  140.972  122.543  204.807  267.307  194.335   24.340   9.6969   29.313   9.7841 -4.973499 13.77528 
1 1 1   17   20  -20 o   24.129   6.7321  182.462   97.374   0.0000   0.0000  182.462   97.374  ?   ?    24.129   6.7321      ?      ? 
1 1 1   17   21  -20 o   52.118   5.2158  838.907  156.754  861.344  229.180  819.183  214.878   52.699   7.5299   51.537   7.2192 1.162128 10.43155 
1 1 1   17   22  -20 o   63.135   3.1845  1197.24  111.587  1233.22  141.044  1137.04  182.447   64.685   3.7754   61.586   5.1294 3.098862 6.369067 
1 1 1   17   23  -20 o   21.892   6.7168 -51.6350  156.562  201.212  264.443 -188.0926  194.268   27.528   11.002   16.256   7.7086 11.27131 13.43356 
1 1 1   17   24  -20 o   11.888   4.1945 -338.6827  105.394 -353.9845  131.498 -311.1959  176.242   10.292   5.1582   13.485   6.6158 -3.193108 8.389040 
1 1 1   17   25  -20 o   13.032   4.4471 -182.8059   97.957 -160.5955  124.834 -218.3976  158.026   12.436   5.9735   13.628   6.5896 -1.192292 8.894137 
1 1 1   17   26  -20 o   36.899   5.2042  448.117  103.862  463.311  129.419  420.624  174.088   38.782   5.7781   35.016   8.6572 3.765854 10.40837 
1 1 1   17   27  -20 o   20.160   5.4673   69.719   96.424 -35.2759  128.756  203.800  145.501   15.391   6.9213   24.929   8.4653 -9.537272 10.93461 
1 1 1   17   28  -20 o   31.339   5.4245  350.102  106.287  174.032  165.604  473.432  138.600   23.817   8.9198   38.861   6.1755 -15.04350 10.84894 
1 1 1   17   29  -20 o   18.326   5.1205   64.359   86.132  138.738  115.562 -28.6041  129.194   21.175   7.5233   15.476   6.9484 5.698965 10.24107 
1 1 1   17   30  -20 o   17.816   5.4182   31.201  100.969   51.101  140.670   10.055  145.011   18.339   7.7424   17.293   7.5818 1.046240 10.83641 
1 1 1   17   31  -20 o   15.314   4.8053 -25.1111   84.119 -74.5726  108.607   49.044  132.984   12.835   5.9834   17.794   7.5209 -4.958714 9.610667 
1 1 1   17    0  -21 o   10.316   5.3847 -563.5416  173.982 -488.0619  200.134 -797.0653  352.023   8.7546   6.4002   11.878   8.6612 -0.000000 0.000000 
1 1 1   17    1  -21 o   56.679   4.0035  943.787  129.895  923.803  196.007  959.435  173.452   56.084   6.0513   57.275   5.2436 -1.191227 8.007075 
1 1 1   17    2  -21 o   43.525   5.4756  581.227  131.027  621.661  170.926  523.610  204.040   45.952   6.4405   41.098   8.8573 4.854027 10.95128 
1 1 1   17    3  -21 o   70.383   4.1301  1441.80  145.702  1477.95  291.413  1429.75  168.240   70.688   7.1380   70.077   4.1569 0.6117249 8.260181 
1 1 1   17    4  -21 o   32.321   6.1499  323.637  117.340  312.888  169.054  333.630  163.000   31.830   8.8668   32.812   8.5243 -0.9822063 12.29980 
1 1 1   17    5  -21 o   36.966   7.3218  408.464  143.348  446.061  305.575  397.855  162.316   38.054   12.243   35.877   8.0334 2.177002 14.64356 
1 1 1   17    6  -21 o   16.564   5.2862 -95.0294  112.714   13.762  135.621 -337.9865  202.673   18.004   7.6016   15.123   7.3479 2.880497 10.57238 
1 1 1   17    7  -21 o   35.373   5.1564  370.635   99.531  449.945  163.423  323.869  125.491   38.250   7.6647   32.497   6.8996 5.753365 10.31274 
1 1 1   17    8  -21 o   18.610   5.9762 -101.3111  139.004 -73.6803  183.522 -138.4939  212.894   18.456   8.2842   18.765   8.6158 -0.3084698 11.95243 
1 1 1   17    9  -21 o   54.182   4.8922  785.792  121.968  1021.08  289.600  735.059  134.477   58.224   8.6122   50.140   4.6438 8.084103 9.784400 
1 1 1   17   10  -21 o   27.121   6.1966  197.331  110.351  311.466  179.985  128.585  139.686   31.660   9.2579   22.583   8.2391 9.076597 12.39322 
1 1 1   17   11  -21 o   28.611   6.6894  253.109  134.942  333.794  157.458   29.956  261.860   32.659   8.3235   24.562   10.474 8.096951 13.37872 
1 1 1   17   12  -21 o   31.535   4.8319  300.494   87.821  399.656  128.446  213.448  120.343   36.740   6.0534   26.331   7.5330 10.40883 9.663810 
1 1 1   17   13  -21 o   23.993   6.1365  153.497  106.701  115.147  185.473  172.467  130.449   23.714   9.2967   24.272   8.0122 -0.5582867 12.27291 
1 1 1   17   14  -21 o   11.621   4.0185 -242.5207   90.659 -320.2579  135.214 -179.0347  122.193   11.069   5.4968   12.173   5.8632 -1.103858 8.036918 
1 1 1   17   15  -21 o   28.218   6.0528  248.817   99.649  213.399  200.719  260.402  114.795   27.559   9.9018   28.877   6.9640 -1.317856 12.10552 
1 1 1   17   16  -21 o   58.489   3.9950  1023.12  133.624  972.906  200.478  1063.27  179.245   57.054   6.0841   59.924   5.1792 -2.870533 7.990014 
1 1 1   17   17  -21 o   37.417   6.4838  511.150  127.725  570.864  143.070  276.710  283.483   43.739   5.6636   31.095   11.665 12.64427 12.96763 
1 1 1   17   18  -21 o   19.374   5.8912   21.588  109.335  -2.6588  207.525   30.904  128.636   20.898   9.1185   17.849   7.4617 3.048719 11.78237 
1 1 1   17   19  -21 o   15.238   5.0028 -93.5300   99.733 -70.7951  120.879 -142.0037  176.505   14.242   6.5217   16.234   7.5880 -1.992595 10.00551 
1 1 1   17   20  -21 o   44.750   6.4214  598.601  145.151  821.319  286.655  521.805  168.326   49.058   10.438   40.441   7.4824 8.617390 12.84280 
1 1 1   17   21  -21 o   22.747   6.1293  127.194  113.427  190.719  165.511   70.939  155.753   25.159   8.9966   20.335   8.3268 4.824051 12.25869 
1 1 1   17   22  -21 o   30.819   5.6980  332.695  105.270  402.475  132.582  213.663  173.162   35.548   6.7037   26.091   9.2158 9.456976 11.39602 
1 1 1   17   23  -21 o   24.178   6.6838   71.883  124.726 -19.0896  143.785  348.427  250.692   16.837   7.4587   31.518   11.093 -14.68057 13.36765 
1 1 1   17   24  -21 o   23.431   6.9356   7.0014  126.816  350.856  300.161 -67.7132  139.917   31.537   11.965   15.325   7.0175 16.21174 13.87114 
1 1 1   17   25  -21 o   15.644   5.3258 -161.5293  123.390 -542.3981  292.838 -79.3108  136.058   16.510   8.1798   14.778   6.8225 1.731970 10.65153 
1 1 1   17   26  -21 o   12.591   4.3583 -300.8543  107.593 -122.3872  152.695 -476.8433  151.631   14.842   6.9754   10.340   5.2272 4.501772 8.716633 
1 1 1   17   27  -21 o   57.576   3.4838  1023.39  113.999  1121.50  153.794  903.742  169.836   61.005   4.3651   54.147   5.4309 6.857811 6.967696 
1 1 1   17   28  -21 o   18.718   5.3542   38.617   93.014 -45.2883  119.736  166.301  147.707   14.439   6.5653   22.997   8.4599 -8.558527 10.70849 
1 1 1   17   29  -21 o   40.603   6.5889  609.870  151.423  530.972  226.057  674.081  203.935   37.213   10.210   43.994   8.3314 -6.780815 13.17786 
1 1 1   17   30  -21 o   25.896   4.9530  214.825   89.680   43.922  124.345  400.083  129.462   17.213   7.2738   34.579   6.7247 -17.36583 9.906041 
1 1 1   17    0  -22 o   51.997   6.3087  822.754  182.027  822.754  182.027   0.0000   0.0000   51.997   6.3087   51.997   6.3087 -0.000000 0.000000 
1 1 1   17    1  -22 o   16.574   5.4317 -150.4045  126.389 -41.5222  153.708 -377.7069  222.086   17.457   7.7236   15.692   7.6394 1.765388 10.86348 
1 1 1   17    2  -22 o   13.462   4.6721 -333.3994  122.488 -314.3938  160.557 -359.8624  189.456   12.858   6.3096   14.066   6.8923 -1.207377 9.344241 
1 1 1   17    3  -22 o   31.275   6.3460  306.181  120.319  268.914  188.966  331.591  156.037   29.923   9.6280   32.627   8.2699 -2.703819 12.69210 
1 1 1   17    4  -22 o   52.764   4.6982  822.178  142.484  716.733  195.874  940.680  207.648   49.130   6.9032   56.398   6.3749 -7.268784 9.396443 
1 1 1   17    5  -22 o   53.522   3.1805  861.571   93.871  746.348  151.592  933.232  119.550   50.425   5.2053   56.619   3.6560 -6.193851 6.360931 
1 1 1   17    6  -22 o   23.556   6.5858   40.643  133.806  241.749  228.130 -64.8257  165.208   29.570   10.564   17.541   7.8677 12.02883 13.17151 
1 1 1   17    7  -22 o   14.025   4.8764 -272.3790  117.055 -524.4294  247.172 -199.5068  132.903   15.415   7.6148   12.636   6.0935 2.778923 9.752722 
1 1 1   17    8  -22 f   47.877   4.8187  654.704  118.735  746.192  233.248  622.705  137.946   49.734   8.1204   46.019   5.1902 3.715584 9.637364 
1 1 1   17    9  -22 o   38.362   5.1199  447.531  110.588  535.616  160.394  367.713  152.682   42.427   6.5458   34.298   7.8743 8.128979 10.23977 
1 1 1   17   10  -22 o   61.441   3.0783  1095.02  108.707  1231.90  163.313  986.130  145.667   64.854   4.3601   58.028   4.3465 6.826271 6.156503 
1 1 1   17   11  -22 o   42.384   5.5853  679.078  111.278  328.942  217.411  803.363  129.530   32.403   10.317   52.364   4.2830 -19.96165 11.17056 
1 1 1   17   12  -22 o   35.639   6.6423  408.421  138.769  428.722  194.619  387.424  197.921   36.556   9.2195   34.722   9.5647 1.834549 13.28463 
1 1 1   17   13  -22 o   38.323   6.0010  492.198  128.956  337.630  212.120  582.817  162.416   32.529   10.169   44.117   6.3745 -11.58733 12.00194 
1 1 1   17   14  -22 o   21.633   6.1944   78.670  120.202   59.465  179.255   94.363  162.031   21.433   8.8711   21.833   8.6480 -0.4004593 12.38887 
1 1 1   17   15  -22 o   11.856   6.0018 -752.8236  120.501 -682.6030  204.236 -790.3218  149.247   11.856   6.0018  ?   ?       ?      ? 
1 1 1   17   16  -22 o   30.603   6.6161  313.478  120.059  211.523  257.723  341.736  135.680   28.400   11.007   32.806   7.3440 -4.406689 13.23212 
1 1 1   17   17  -22 o   15.779   5.3123 -193.0851  122.237 -129.0250  211.810 -225.0741  149.677   18.363   8.4898   13.195   6.3880 5.168888 10.62468 
1 1 1   17   18  -22 o   58.273   4.4984  940.067  119.207  884.384  131.229  1202.87  285.092   54.688   4.1549   61.859   7.9799 -7.170902 8.996799 
1 1 1   17   19  -22 o   20.982   6.8223 -102.5961  132.411  135.954  339.227 -145.4742  143.820   27.878   11.906   14.085   6.6655 13.79304 13.64459 
1 1 1   17   20  -22 o   14.177   5.1280 -389.8056  123.783 -519.9638  318.986 -366.7313  134.307   17.995   8.8428   10.359   5.1950 7.635386 10.25593 
1 1 1   17   21  -22 o   18.389   5.5538   14.209  108.386 -79.1466  164.591   85.689  144.023   16.570   7.5961   20.209   8.1041 -3.638889 11.10754 
1 1 1   17   22  -22 o   33.656   6.3008  369.736  117.568  333.339  141.523  450.796  211.201   31.644   7.7949   35.669   9.9015 -4.025803 12.60161 
1 1 1   17   23  -22 o   16.811   5.6591 -190.6839  141.522 -122.9013  238.083 -227.7203  175.988   19.136   8.8999   14.486   6.9922 4.649584 11.31813 
1 1 1   17   24  -22 o   26.718   5.7182  243.831   96.324  271.182  123.326  201.043  154.250   28.526   7.4165   24.909   8.7056 3.617094 11.43649 
1 1 1   17   25  -22 o   25.352   6.2399  180.958  117.720   68.111  153.296  343.151  183.782   19.683   8.1798   31.021   9.4254 -11.33865 12.47986 
1 1 1   17   26  -22 o   61.287   4.8924  1177.78  119.354  1238.86  315.347  1167.57  128.946   59.916   9.1130   62.659   3.5632 -2.743309 9.784883 
1 1 1   17   27  -22 o   46.623   5.7331  734.535  151.029  683.175  205.925  794.318  222.173   44.495   8.3192   48.751   7.8909 -4.255676 11.46621 
1 1 1   17   28  -22 o   13.495   4.5406 -129.5982   95.770 -115.9264  125.290 -148.8146  148.538   13.088   6.2016   13.901   6.6337 -0.8132629 9.081115 
1 1 1   17   29  -22 f   12.389   4.3394 -248.4137  104.220 -172.3017  119.369 -492.4777  213.756   11.609   5.6402   13.168   6.5962 -1.558558 8.678811 
1 1 1   17    0  -23 o   43.661   8.8442  655.810  188.025  854.914  317.511  548.279  233.339   49.025   12.979   38.297   12.017 -0.000000 0.000000 
1 1 1   17    1  -23 o   27.626   5.9547  228.445  110.906  335.284  152.316  107.886  161.801   32.705   8.1050   22.546   8.7261 10.15916 11.90945 
1 1 1   17    2  -23 o   33.564   6.6692  321.914  146.695  127.375  195.074  575.102  222.545   24.525   9.5565   42.603   9.3051 -18.07782 13.33836 
1 1 1   17    3  -23 o   23.199   6.0824  105.234  118.556  231.808  164.240 -32.4736  171.310   27.756   8.9807   18.643   8.2055 9.113485 12.16481 
1 1 1   17    4  -23 o   14.329   4.7679 -143.1209  100.887 -364.5743  189.934 -56.0826  119.074   13.980   6.8607   14.678   6.6230 -0.6974955 9.535890 
1 1 1   17    5  -23 o   44.521   4.8943  600.074  108.945  603.971  206.910  598.580  128.147   43.922   8.4636   45.120   4.9176 -1.197529 9.788512 
1 1 1   17    6  -23 o   15.604   5.0256 -86.2655   97.030 -30.9411  156.268 -120.9785  123.782   17.777   7.8304   13.430   6.3017 4.347610 10.05119 
1 1 1   17    7  -23 o   28.794   6.4396  252.334  118.747  276.616  183.620  234.878  155.684   29.899   9.4772   27.689   8.7212 2.210163 12.87928 
1 1 1   17    8  -23 o   28.155   7.2553  213.914  133.273  188.140  300.337  220.233  148.716   29.442   11.738   26.867   8.5304 2.574472 14.51064 
1 1 1   17    9  -23 o   33.965   5.6476  362.552  107.445  375.100  169.017  354.041  139.190   34.308   8.5584   33.622   7.3713 0.6863060 11.29519 
1 1 1   17   10  -23 o   34.933   5.9940  384.888  118.943  432.181  181.431  349.241  157.514   36.746   8.6862   33.120   8.2620 3.625641 11.98792 
1 1 1   17   11  -23 o   23.780   6.4323  114.395  122.464  217.941  198.305   50.560  155.702   27.523   9.8470   20.038   8.2786 7.484449 12.86466 
1 1 1   17   12  -23 o   15.222   4.8722 -59.1932   90.014 -45.0343  142.283 -68.6417  116.229   16.412   7.3356   14.031   6.4141 2.381069 9.744351 
1 1 1   17   13  -23 o   30.986   6.7625  335.532  134.596  103.624  289.858  399.283  151.974   26.537   11.154   35.436   7.6499 -8.898838 13.52504 
1 1 1   17   14  -23 o   60.680   4.5963  961.722  120.077  1376.36  315.550  891.514  129.845   66.354   8.2341   55.007   4.0872 11.34748 9.192663 
1 1 1   17   15  -23 o   42.108   5.3992  564.400  126.462  563.663  177.901  565.153  179.804   42.099   7.5963   42.117   7.6746 -0.1850128E-01 10.79831 
1 1 1   17   16  -23 o   38.636   5.1688  487.666  103.061  426.716  184.319  515.389  124.310   35.812   8.9395   41.461   5.1914 -5.648979 10.33756 
1 1 1   17   17  -23 o   17.846   5.4120   15.480   99.443   22.731  148.083   9.5244  134.208   18.426   7.8675   17.266   7.4337 1.159657 10.82395 
1 1 1   17   18  -23 o   40.198   5.8941  520.718  100.427  536.722  253.349  517.735  109.388   38.756   10.875   41.641   4.5485 -2.885334 11.78824 
1 1 1   17   19  -23 o   45.203   5.7235  653.414  139.347  708.158  236.971  624.480  172.281   45.613   9.3106   44.793   6.6595 0.8196831 11.44710 
1 1 1   17   20  -23 o   15.057   5.2749 -345.8098  118.060 -84.0389  247.997 -422.5179  134.248   20.311   9.3161   9.8019   4.9508 10.50957 10.54986 
1 1 1   17   21  -23 o   15.518   5.5798 -289.5525  112.937 -247.9278  329.963 -295.0759  120.197   20.886   9.9447   10.150   5.0636 10.73538 11.15965 
1 1 1   17   22  -23 o   36.813   6.2240  501.796  131.117  580.127  158.829  334.195  232.327   43.053   6.3876   30.573   10.684 12.47993 12.44802 
1 1 1   17   23  -23 o   44.872   6.6147  716.222  131.096  668.354  309.829  726.661  144.686   40.946   12.193   48.798   5.1338 -7.851860 13.22944 
1 1 1   17   24  -23 o   46.598   6.2917  710.183  153.809  647.829  183.604  856.915  281.651   44.870   7.0851   48.327   10.399 -3.457249 12.58348 
1 1 1   17   25  -23 o   48.371   4.2991  727.903  118.545  789.299  185.606  685.603  154.062   49.824   6.4502   46.918   5.6855 2.905231 8.598225 
1 1 1   17   26  -23 o   13.671   4.8159 -453.3209  151.649 -487.7286  218.769 -421.4940  210.404   13.571   6.7794   13.772   6.8420 -0.2007732 9.631851 
1 1 1   17   27  -23 o   29.416   6.3199  317.104  115.159  317.635  145.746  316.222  187.880   29.851   8.2015   28.981   9.6178 0.8691826 12.63990 
1 1 1   17   28  -23 o   15.644   5.1471 -80.9418  112.520 -57.4126  164.562 -101.6004  154.198   16.348   7.5315   14.940   7.0176 1.408371 10.29422 
1 1 1   17    0  -24 o   24.234   8.1112  259.758  146.579  366.290  190.823  106.429  228.930   29.872   11.611   18.596   11.330 -0.000000 0.000000 
1 1 1   17    1  -24 o   45.228   4.0334  583.044  102.803  500.560  129.213  725.310  169.697   41.102   5.4433   49.353   5.9535 -8.251274 8.066801 
1 1 1   17    2  -24 o   14.330   4.9300 -307.3604  130.591 -356.8464  188.487 -261.6766  181.101   13.932   6.8362   14.729   7.1053 -0.7974091 9.859994 
1 1 1   17    3  -24 o   54.935   4.4461  886.988  141.063  886.988  141.063   0.0000   0.0000   54.935   4.4461  ?   ?       ?      ? 
1 1 1   17    4  -24 o   15.510   4.9484 -86.8536   98.262 -188.7095  141.312   8.5034  136.729   13.332   6.3911   17.688   7.5564 -4.356380 9.896712 
1 1 1   17    5  -24 o   39.602   4.5364  467.860  100.676  561.459  154.071  398.115  132.997   43.328   6.1570   35.877   6.6639 7.451149 9.072830 
1 1 1   17    6  -24 o   49.539   4.1898  740.714  118.425  813.120  161.363  656.191  174.344   52.345   5.3376   46.732   6.4596 5.613007 8.379526 
1 1 1   17    7  -24 f   37.166   5.6162  446.417  115.366  373.706  188.630  489.867  145.817   33.932   9.3334   40.400   6.2494 -6.467945 11.23247 
1 1 1   17    8  -24 o   25.179   7.0825   6.9625  131.561  383.660  303.234 -80.3869  146.020   34.585   12.198   15.772   7.2018 18.81369 14.16499 
1 1 1   17    9  -24 o   26.003   6.0133  211.613  103.022  151.225  182.231  239.979  124.896   24.496   9.3159   27.511   7.6060 -3.014971 12.02651 
1 1 1   17   10  -24 o   34.014   5.4695  347.572  101.534  461.619  173.505  288.176  125.213   37.917   8.1645   30.110   7.2803 7.806734 10.93901 
1 1 1   17   11  -24 o   28.047   6.4057  234.337  120.561  150.508  159.291  346.753  184.462   23.650   8.7696   32.444   9.3395 -8.793745 12.81141 
1 1 1   17   12  -24 o   35.734   6.3653  422.481  131.036  426.219  178.076  418.068  193.511   36.039   8.6627   35.429   9.3288 0.6106148 12.73059 
1 1 1   17   13  -24 o   46.482   6.5161  674.442  127.908  760.891  321.503  658.186  139.417   46.082   11.972   46.882   5.1490 -0.8007126 13.03214 
1 1 1   17   14  -24 o   19.939   6.1196  -0.4233  127.844 -48.0088  162.868   75.961  206.348   17.328   7.7891   22.551   9.4408 -5.222536 12.23922 
1 1 1   17   15  -24 o   60.979   3.5887  1119.59  125.679  1095.30  186.546  1139.78  170.069   60.233   5.3625   61.725   4.7707 -1.491447 7.177448 
1 1 1   17   16  -24 o   20.830   6.0003   74.193  109.186  130.480  184.959   44.086  135.272   23.277   9.2334   18.383   7.6655 4.894007 12.00064 
1 1 1   17   17  -24 o   21.706   6.4515   65.311  124.582  129.890  236.322   40.456  146.609   24.650   10.193   18.762   7.9116 5.888393 12.90296 
1 1 1   17   18  -24 o   45.515   5.0779  665.913  129.152  580.609  184.373  748.097  180.972   41.972   7.8958   49.058   6.3873 -7.086121 10.15583 
1 1 1   17   19  -24 o   59.849   5.3788  1093.09  185.920   0.0000   0.0000  1093.09  185.920  ?   ?    59.849   5.3788      ?      ? 
1 1 1   17   20  -24 o   27.885   6.3856  257.633  112.320  291.464  197.133  241.372  136.674   28.967   9.8534   26.802   8.1247 2.165319 12.77111 
1 1 1   17   21  -24 o   55.233   4.0622  917.078  127.765  1120.41  201.769  780.977  165.077   60.164   5.8068   50.302   5.6822 9.861752 8.124423 
1 1 1   17   22  -24 o   29.383   6.9274  279.441  127.818  229.473  151.378  403.543  238.566   26.031   8.6329   32.735   10.837 -6.704380 13.85487 
1 1 1   17   23  -24 f   13.992   4.8044 -233.0244  120.135 -233.1954  158.554 -232.7937  184.084   13.287   6.4657   14.697   7.1080 -1.410163 9.608816 
1 1 1   17   24  -24 o   28.159   6.5278  274.848  135.243  426.347  187.042  108.864  195.780   34.222   9.2451   22.095   9.2183 12.12686 13.05558 
1 1 1   17   25  -24 o   31.071   5.6854  346.092  102.378  374.174  130.615  301.355  164.859   33.369   7.0007   28.773   8.9602 4.596531 11.37081 
1 1 1   17   26  -24 o   19.825   6.5733 -124.7718  128.769 -191.8128  139.983  244.099  328.354   12.624   6.1274   27.025   11.631 -14.40063 13.14663 
1 1 1   17    0  -25 o   11.831   5.7333 -131.1355  124.030 -229.0135  167.109 -11.0816  185.074   9.6111   6.8476   14.051   9.1975 -0.000000 0.000000 
1 1 1   17    1  -25 o   28.834   5.7804  270.205   99.364  292.615  123.318  228.724  167.776   30.415   7.1421   27.252   9.0909 3.163336 11.56086 
1 1 1   17    2  -25 o   14.968   4.9024 -163.0198  102.060  -1.0287  158.632 -277.4350  133.317   18.529   8.0293   11.407   5.6269 7.122485 9.804708 
1 1 1   17    3  -25 o   47.997   4.8349  699.483  133.012  817.412  192.786  592.346  183.753   51.996   6.4198   43.998   7.2313 7.997993 9.669768 
1 1 1   17    4  -25 o   20.210   5.8800   66.831  103.026 -13.9141  206.527   93.581  118.873   20.573   9.0332   19.848   7.5298 0.7248459 11.76000 
1 1 1   17    5  -25 o   14.442   4.6961 -97.8946   92.750 -186.8513  138.211 -25.0122  125.102   13.073   6.2812   15.811   6.9829 -2.737679 9.392265 
1 1 1   17    6  -25 o   53.418   4.5048  857.390  137.637  919.542  212.467  812.448  180.671   54.938   6.6962   51.898   6.0278 3.040798 9.009634 
1 1 1   17    7  -25 o   30.279   6.4505  296.466  116.877  292.974  210.246  298.028  140.605   30.183   10.176   30.375   7.9297 -0.1919365 12.90108 
1 1 1   17    8  -25 o   20.169   5.7006   55.486   96.191  155.626  169.577   7.9780  116.801   24.066   9.0236   16.273   6.9687 7.793465 11.40122 
1 1 1   17    9  -25 o   15.269   6.8637 -44.7831  126.495   0.0000   0.0000 -44.7831  126.495  ?   ?    15.269   6.8637      ?      ? 
1 1 1   17   10  -25 o   29.769   7.7270  234.136  144.830  396.142  330.326  195.581  161.145   34.165   12.637   25.373   8.8964 8.792362 15.45403 
1 1 1   17   11  -25 o   13.669   4.6475 -186.7646  104.754 -281.2510  177.223 -136.0251  129.870   13.997   6.8165   13.341   6.3193 0.6561575 9.295044 
1 1 1   17   12  -25 o   14.827   5.1628 -383.2019  150.672 -381.0677  193.846 -386.4593  239.484   13.710   6.7671   15.944   7.7991 -2.234151 10.32569 
1 1 1   17   13  -25 f   45.978   7.1878  761.696  167.360  799.389  193.060  647.717  335.717   50.813   6.5786   41.144   12.782 9.669193 14.37567 
1 1 1   17   14  -25 o   22.617   6.1981   13.226  125.474  321.309  214.529 -146.9637  154.693   30.580   10.280   14.653   6.9278 15.92715 12.39612 
1 1 1   17   15  -25 o   20.643   5.6697  104.870   88.666   95.805  175.666  107.970  102.710   21.700   8.8596   19.585   7.0772 2.115578 11.33930 
1 1 1   17   16  -25 f   56.606   4.5308  893.781  109.421  1166.98  283.522  845.967  118.611   59.837   8.2041   53.375   3.8477 6.461918 9.061592 
1 1 1   17   17  -25 o   29.367   5.8492  329.573  124.359 -21.5459  237.662  461.958  145.932   20.953   9.4146   37.781   6.9438 -16.82813 11.69832 
1 1 1   17   18  -25 o   53.292   5.4206  953.273  141.157  853.846  263.801  993.162  167.089   49.427   9.5871   57.157   5.0617 -7.729507 10.84128 
1 1 1   17   19  -25 o   41.111   5.1540  543.019  119.350  489.056  158.824  613.019  180.893   38.487   7.4142   43.736   7.1614 -5.249500 10.30807 
1 1 1   17   20  -25 o   33.955   6.0987  398.073  117.586  386.695  149.788  416.343  189.816   33.798   7.8276   34.112   9.3545 -0.3137474 12.19742 
1 1 1   17   21  -25 o   38.693   7.1277  567.642  156.998  505.691  277.078  596.937  190.537   35.565   11.674   41.822   8.1814 -6.257858 14.25542 
1 1 1   17   22  -25 o   22.259   6.2379  108.574  135.266  242.838  169.749 -124.9942  223.890   26.397   9.1378   18.120   8.4939 8.277147 12.47577 
1 1 1   17   23  -25 o   13.952   4.8240 -335.6200  131.057 -553.8657  184.865 -115.1053  185.823   11.418   5.7723   16.485   7.7308 -5.066505 9.647989 
1 1 1   17   24  -25 o   26.380   5.7108  256.031  111.306  375.787  139.775   48.466  184.016   32.984   7.5062   19.776   8.6088 13.20787 11.42163 
1 1 1   17   25  -25 o   56.388   4.6897  1044.82  152.645  1022.42  211.745  1069.06  220.251   55.826   6.5674   56.950   6.6964 -1.123920 9.379362 
1 1 1   17    0  -26 o   24.563   9.0787  284.667  167.907  312.280  253.450  263.068  224.154   25.514   13.254   23.611   12.410 -0.000000 0.000000 
1 1 1   17    1  -26 o   26.002   5.8441  188.502  102.631   92.954  132.334  332.702  162.572   20.247   7.8762   31.757   8.6359 -11.50961 11.68814 
1 1 1   17    2  -26 o   22.858   6.0146  135.075  116.647 -115.4125  228.140  223.736  135.730   19.292   8.8806   26.423   8.1141 -7.130302 12.02925 
1 1 1   17    3  -26 o   11.176   3.9900 -506.2771  117.474 -552.3078  157.104 -447.8985  176.925   10.189   5.1696   12.163   6.0792 -1.973962 7.980086 
1 1 1   17    4  -26 o   13.654   4.6660 -182.4151  102.498 -119.0381  118.855 -366.3116  202.460   12.928   6.0999   14.380   7.0623 -1.452494 9.331915 
1 1 1   17    5  -26 o   19.111   5.8128   1.6122  117.499 -65.3709  158.988   82.229  174.419   16.704   7.5839   21.517   8.8114 -4.812323 11.62563 
1 1 1   17    6  -26 o   16.919   5.6993 -105.4678  115.337 -313.3784  296.685 -68.4528  125.183   19.323   9.2625   14.516   6.6434 4.807393 11.39865 
1 1 1   17    7  -26 o   13.073   4.5492 -287.7071  103.260 -148.2228  180.678 -355.3668  125.836   16.212   7.6093   9.9333   4.9879 6.278852 9.098348 
1 1 1   17    8  -26 o   22.247   6.6593   78.057  139.557  143.630  154.268 -217.4232  327.474   22.907   8.6032   21.587   10.167 1.319962 13.31868 
1 1 1   17    9  -26 o   52.137   6.8545  774.073  159.210  1189.52  386.844  689.353  174.691   56.997   12.124   47.276   6.3980 9.720367 13.70896 
1 1 1   17   10  -26 o   41.858   6.4399  594.478  151.011  603.746  206.967  583.927  220.829   42.462   8.7310   41.255   9.4687 1.207439 12.87976 
1 1 1   17   11  -26 o   25.038   6.1784  188.391  102.839  225.194  189.321  172.987  122.486   26.654   9.6120   23.423   7.7653 3.230600 12.35682 
1 1 1   17   12  -26 o   40.682   4.7506  524.620  108.759  500.580  157.868  546.337  150.046   39.325   7.2168   42.039   6.1799 -2.714222 9.501259 
1 1 1   17   13  -26 o   23.868   5.6616  181.881  106.434 -45.0920  194.723  278.582  127.100   18.741   8.4616   28.996   7.5245 -10.25587 11.32325 
1 1 1   17   14  -26 o   30.120   6.4559  306.627  122.534  244.391  163.480  386.418  185.106   27.004   8.9720   33.236   9.2852 -6.231443 12.91176 
1 1 1   17   15  -26 o   32.853   6.2159  372.788  126.044  514.260  179.716  235.831  176.825   39.058   8.2267   26.647   9.3205 12.41159 12.43181 
1 1 1   17   16  -26 o   17.891   5.8996 -121.1898  140.497 -160.7634  173.695 -46.3000  238.944   15.360   7.2850   20.422   9.2816 -5.062701 11.79912 
1 1 1   17   17  -26 o   12.889   4.5620 -399.2267  126.579 -400.5272  219.198 -398.5760  155.042   14.561   7.1890   11.216   5.6184 3.345333 9.124022 
1 1 1   17   18  -26 o   16.175   5.7626 -264.5669  106.804 -60.8309  319.154 -290.2603  113.339   22.658   10.456   9.6910   4.8469 12.96723 11.52514 
1 1 1   17   19  -26 o   16.338   5.3575 -105.6002  123.075 -24.6694  169.510 -195.8297  178.983   17.714   7.9557   14.962   7.1778 2.752485 10.71509 
1 1 1   17   20  -26 o   57.990   5.8302  1219.85  160.950  1344.34  192.587  931.510  293.091   66.148   5.0411   49.832   10.514 16.31645 11.66040 
1 1 1   17   21  -26 o   35.096   6.5998  456.002  133.712  463.946  167.680  442.130  221.588   36.440   8.1692   33.751   10.368 2.689339 13.19967 
1 1 1   17   22  -26 o   14.468   5.1307 -535.5198  175.081 -580.7309  287.438 -508.8518  220.759   15.536   7.7625   13.400   6.7113 2.135666 10.26147 
1 1 1   17   23  -26 o   40.155   5.2766  548.298  119.471  476.518  163.424  630.696  175.095   36.733   7.9351   43.577   6.9572 -6.843719 10.55313 
1 1 1   17    0  -27 o   12.905   6.2802 -134.4391  155.296 -68.7815  212.980 -208.9756  226.925   13.690   9.2432   12.120   8.5044 -0.000000 0.000000 
1 1 1   17    1  -27 f   23.620   5.7649  172.885   95.793  195.682  123.320  138.201  152.110   24.680   7.7600   22.559   8.5275 2.121120 11.52983 
1 1 1   17    2  -27 o   29.674   6.8302  304.177  130.831  220.035  254.839  334.292  152.456   27.694   10.885   31.654   8.2540 -3.960238 13.66038 
1 1 1   17    3  -27 o   13.930   4.7357 -194.6921  106.734 -225.6141  136.455 -145.9554  171.311   12.207   5.9527   15.654   7.3670 -3.447200 9.471413 
1 1 1   17    4  -27 o   29.121   5.6621  278.654   97.557  306.841  148.448  257.225  129.433   30.303   8.2571   27.939   7.7498 2.363785 11.32425 
1 1 1   17    5  -27 o   27.039   6.6323  156.981  122.195  441.624  235.154   51.690  143.020   35.109   10.660   18.968   7.8933 16.14151 13.26454 
1 1 1   17    6  -27 o   35.948   6.4618  410.603  129.225   0.0000   0.0000  410.603  129.225  ?   ?    35.948   6.4618      ?      ? 
1 1 1   17    7  -27 f   33.231   6.5607  386.059  124.783  351.068  234.322  399.910  147.426   31.560   10.743   34.902   7.5345 -3.341825 13.12147 
1 1 1   17    8  -27 o   18.142   5.8116 -40.1150  117.863 -22.0206  223.625 -47.0747  138.689   20.506   9.1787   15.779   7.1311 4.727394 11.62325 
1 1 1   17    9  -27 o   29.356   5.4115  281.555   92.800  343.715  139.986  232.820  123.951   32.184   7.6446   26.527   7.6616 5.656872 10.82307 
1 1 1   17   10  -27 o   27.498   5.3843  277.509  102.497   36.789  182.718  388.035  123.811   20.136   8.6716   34.860   6.3850 -14.72320 10.76867 
1 1 1   17   11  -27 o   32.993   7.6246  333.669  118.257  476.894  389.663  319.139  124.110   34.787   13.520   31.200   7.0533 3.586597 15.24913 
1 1 1   17   12  -27 o   14.867   7.1969 -471.3083  119.899 -616.7748  154.654 -252.1482  189.828  ?   ?    14.867   7.1969      ?      ? 
1 1 1   17   13  -27 o   28.948   7.3117  239.164  123.711  415.874  303.706  204.011  135.458   33.023   12.133   24.873   8.1623 8.150091 14.62338 
1 1 1   17   14  -27 o   19.987   5.8849   71.263  110.430   50.040  181.528   83.732  139.138   20.287   8.6878   19.686   7.9404 0.6011162 11.76973 
1 1 1   17   15  -27 o   15.985   5.4533 -149.6328  122.860 -362.0623  285.056 -101.1679  136.156   17.737   8.6396   14.234   6.6566 3.503675 10.90658 
1 1 1   17   16  -27 o   38.180   6.2703  576.432  135.454  679.144  160.688  324.253  251.784   46.594   5.9713   29.765   11.028 16.82932 12.54062 
1 1 1   17   17  -27 o   20.276   6.6921  -4.9169  122.390 -56.3512  389.371   0.7221  128.925   24.266   11.318   16.286   7.1445 7.979792 13.38427 
1 1 1   17   18  -27 o   48.672   6.5107  813.006  171.968  743.894  212.783  943.161  292.002   47.194   7.8066   50.151   10.422 -2.956665 13.02139 
1 1 1   17   19  -27 o   38.048   6.2849  502.805  129.512  461.619  158.040  587.015  225.984   36.658   7.7091   39.438   9.9283 -2.779514 12.56986 
1 1 1   17   20  -27 o   11.979   4.2529 -377.6139  116.161 -343.5996  141.133 -449.0493  204.528   10.807   5.4055   13.151   6.5673 -2.343880 8.505847 
1 1 1   17   21  -27 o   17.282   5.8897 -190.3283  162.064 -191.6675  284.801 -189.6870  197.084   18.951   9.0819   15.613   7.5015 3.337693 11.77934 
1 1 1   17    0  -28 o   66.103   4.5386  1339.38  135.178  1336.47  152.269  1350.18  293.664   67.184   3.9557   65.021   8.1700 -0.000000 0.000000 
1 1 1   17    1  -28 o   29.904   6.0749  315.457  118.733  167.571  184.698  419.615  155.005   24.265   9.3422   35.542   7.7681 -11.27670 12.14987 
1 1 1   17    2  -28 o   43.911   4.9221  625.515  118.639  680.615  157.159  552.512  180.897   47.034   5.7855   40.789   7.9647 6.244862 9.844245 
1 1 1   17    3  -28 o   42.570   5.0387  566.734  119.738  468.455  156.286  706.404  186.313   37.793   7.4251   47.347   6.8135 -9.553837 10.07746 
1 1 1   17    4  -28 o   15.897   5.3924 -219.3171  135.262 -266.7754  170.979 -139.9328  221.133   13.670   6.6658   18.123   8.4781 -4.453095 10.78479 
1 1 1   17    5  -28 o   26.698   6.7167  225.219  141.079   71.656  214.789  341.738  187.096   22.213   9.4796   31.182   9.5180 -8.969774 13.43336 
1 1 1   17    6  -28 o   31.223   6.5134  352.912  131.210  432.839  167.875  227.433  210.343   35.724   8.2956   26.721   10.044 9.002647 13.02679 
1 1 1   17    7  -28 o   40.201   6.4879  606.577  118.961  462.099  293.054  635.081  130.168   34.630   12.005   45.772   4.9240 -11.14161 12.97588 
1 1 1   17    8  -28 o   32.043   6.3402  358.601  116.418  343.072  214.832  365.056  138.520   30.909   10.286   33.177   7.4157 -2.267523 12.68038 
1 1 1   17    9  -28 o   35.701   6.1578  419.119  124.361  570.971  201.745  326.057  157.936   40.673   8.8408   30.728   8.5739 9.944296 12.31551 
1 1 1   17   10  -28 o   31.201   6.4714  342.996  129.259  450.236  181.417  232.423  184.215   35.970   8.8041   26.432   9.4872 9.537970 12.94287 
1 1 1   17   11  -28 o   27.132   6.8703  252.151  131.876  186.988  258.243  275.138  153.384   26.051   10.701   28.212   8.6193 -2.160875 13.74069 
1 1 1   17   12  -28 o   24.831   6.3436  205.901  130.007 -167.6803  298.314  293.490  144.446   20.482   9.6641   29.179   8.2201 -8.697298 12.68723 
1 1 1   17   13  -28 o   40.024   6.4350  544.387  143.997  428.218  184.526  725.298  230.274   34.626   9.1058   45.422   9.0952 -10.79533 12.87004 
1 1 1   17   14  -28 o   17.660   5.7144 -51.9255  117.712   2.9134  219.613 -74.0311  139.433   20.367   9.1076   14.952   6.9041 5.414732 11.42872 
1 1 1   17   15  -28 o   24.895   6.9107  186.019  142.700  143.225  183.691  251.156  226.622   22.821   9.1521   26.970   10.357 -4.148499 13.82133 
1 1 1   17   16  -28 o   42.939   5.6101  660.685  128.007  505.044  207.367  756.506  162.708   36.810   9.6399   49.068   5.7414 -12.25822 11.22013 
1 1 1   17   17  -28 o   52.952   5.1857  957.988  148.416  1146.91  202.498  738.712  218.160   60.212   5.8231   45.691   8.5824 14.52126 10.37135 
1 1 1   17   18  -28 o   32.047   5.5014  370.883  111.581  186.308  162.696  534.799  153.321   23.578   8.8390   40.515   6.5523 -16.93724 11.00280 
1 1 1   17    0  -29 o   34.121   7.9067  541.503  150.826  623.132  176.577  321.253  290.048   43.414   7.7880   24.827   13.763 -0.000000 0.000000 
1 1 1   17    1  -29 o   15.572   5.2454 -182.2338  126.399 -113.4152  198.583 -229.1040  163.884   17.421   8.1110   13.723   6.6536 3.698048 10.49089 
1 1 1   17    2  -29 f   47.754   4.1236  719.092  111.235  799.972  149.252  618.036  166.832   51.241   5.0433   44.267   6.5255 6.974159 8.247196 
1 1 1   17    3  -29 o   13.185   4.5557 -264.0472  115.150 -323.7657  170.226 -213.6664  156.352   12.866   6.3488   13.503   6.5354 -0.6375408 9.111474 
1 1 1   17    4  -29 o   19.398   6.2584 -68.3048  158.882   23.935  207.309 -199.6043  247.339   20.594   9.0462   18.202   8.6507 2.391174 12.51673 
1 1 1   17    5  -29 o   26.763   6.8170  250.477  140.919   2.8184  302.703  319.002  159.226   23.269   10.524   30.256   8.6677 -6.986404 13.63404 
1 1 1   17    6  -29 o   36.705   5.7193  421.479  109.374  364.794  129.120  565.473  205.794   33.306   6.9379   40.104   9.0945 -6.797966 11.43870 
1 1 1   17    7  -29 o   50.833   7.2623  905.962  149.624  974.258  391.264  894.264  161.932   47.655   13.565   54.011   5.1911 -6.355877 14.52460 
1 1 1   17    8  -29 o   30.731   7.2847  328.319  119.558  284.198  390.585  332.881  125.586   29.795   12.751   31.667   7.0482 -1.871389 14.56947 
1 1 1   17    9  -29 o   26.206   5.7631  196.273  106.541   55.311  138.251  402.404  167.181   18.516   7.7375   33.895   8.5430 -15.37939 11.52616 
1 1 1   17   10  -29 o   25.934   5.4806  227.222   92.899  140.527  132.512  311.015  130.275   21.600   8.0007   30.268   7.4924 -8.667467 10.96120 
1 1 1   17   11  -29 o   41.519   5.5622  579.477  128.788  594.330  199.572  568.878  168.590   41.144   8.6721   41.895   6.9676 -0.7516785 11.12441 
1 1 1   17   12  -29 o   12.685   4.3543 -208.2723  101.394 -419.1335  178.949 -108.5656  123.053   12.239   6.1166   13.130   6.1989 -0.8915777 8.708632 
1 1 1   17   13  -29 o   40.585   6.7540  617.493  138.648  575.125  294.983  629.507  157.081   36.681   12.045   44.489   6.1134 -7.807690 13.50807 
1 1 1   17   14  -29 o   14.318   4.7836 -119.0467  103.850 -110.4371  142.157 -128.8997  152.076   14.208   6.6940   14.428   6.8353 -0.2194605 9.567138 
1 1 1   17   15  -29 f   31.339   6.2583  355.064  115.870  404.968  187.160  324.049  147.547   32.670   9.4084   30.007   8.2551 2.663568 12.51657 
1 1 1   17   16  -29 o   24.302   6.8326  198.416  152.933 -115.1375  335.510  280.650  171.822   21.288   10.105   27.317   9.1996 -6.029108 13.66522 
1 1 1   17    0  -30 o   45.269   8.1213  680.975  151.329  623.914  168.501  918.902  344.076   43.631   7.3015   46.907   14.509 -0.000000 0.000000 
1 1 1   17    1  -30 o   22.145   5.9573  100.481  130.626 -245.0822  227.440  270.575  159.568   16.577   7.9882   27.714   8.8401 -11.13641 11.91467 
1 1 1   17    2  -30 o   15.745   5.1772 -122.7437  109.868 -200.5034  138.589   8.7911  180.248   12.539   6.0885   18.951   8.3752 -6.411804 10.35447 
1 1 1   17    3  -30 o   32.758   6.3478  350.968  112.802  478.040  219.596  305.418  131.474   35.606   10.172   29.910   7.5965 5.696270 12.69558 
1 1 1   17    4  -30 o   21.211   6.7421 -53.5700  142.732  234.415  304.349 -134.7660  161.605   27.444   11.475   14.977   7.0810 12.46653 13.48429 
1 1 1   17    5  -30 o   15.787   5.2300 -119.1258  119.169 -61.4419  177.633 -166.3358  160.699   17.201   7.8877   14.372   6.8700 2.828890 10.46006 
1 1 1   17    6  -30 f   16.062   5.1096 -54.1400  106.173   47.255  133.124 -231.3633  175.999   17.912   7.5453   14.213   6.8921 3.698720 10.21919 
1 1 1   17    7  -30 o   45.277   4.6749  648.984  115.301  626.651  140.863  694.323  200.710   44.873   5.4353   45.681   7.6076 -0.8080025 9.349736 
1 1 1   17    8  -30 o   19.760   5.7543   82.091  106.559   51.695  151.068  112.190  150.329   18.760   7.9767   20.760   8.2957 -1.999819 11.50851 
1 1 1   17    9  -30 o   29.212   7.3603  217.608  126.523  595.903  305.437  139.249  139.011   36.953   12.263   21.471   8.1434 15.48242 14.72060 
1 1 1   17   10  -30 o   39.574   5.3762  525.257  119.910  639.148  180.318  434.963  160.555   43.991   7.0972   35.156   8.0772 8.834957 10.75232 
1 1 1   17   11  -30 o   16.446   5.5437 -163.3520  144.832 -145.0450  191.790 -187.6459  220.935   16.122   7.6489   16.770   8.0266 -0.6482563 11.08743 
1 1 1   17   12  -30 o   35.295   5.7541  415.410  111.169  334.710  136.950  571.325  190.357   30.802   7.7149   39.788   8.5392 -8.986410 11.50821 
1 1 1   17    0  -31 o   19.742   10.793  195.207  175.603  195.207  175.603   0.0000   0.0000   19.742   10.793   19.742   10.793 -0.000000 0.000000 
1 1 1   17    1  -31 o   26.867   7.2369  261.513  153.709  271.700  243.681  254.781  198.088   27.230   10.661   26.504   9.7890 0.7259712 14.47377 
1 1 1   17    2  -31 o   18.816   5.7398   45.018  113.419   20.341  173.325   63.498  149.990   18.665   8.2327   18.967   8.0003 -0.3013821 11.47969 
1 1 1   17    3  -31 o   21.947   6.8248   82.739  154.063   16.771  311.067  104.180  177.341   22.788   10.445   21.107   8.7870 1.680935 13.64964 
1 1 1   17    4  -31 o   32.505   7.2544  464.151  160.234  169.039  394.903  522.313  175.315   26.532   12.008   38.478   8.1429 -11.94589 14.50884 
1 1 1   17    5  -31 o   15.042   5.0899 -207.8511  127.445 -54.2327  184.338 -348.5125  176.393   17.388   7.9961   12.695   6.3000 4.692730 10.17977 
1 1 1   17    6  -31 o   22.600   8.2727  169.876  140.993  169.876  140.993   0.0000   0.0000   22.600   8.2727  ?   ?       ?      ? 
1 1 1   17    7  -31 o   15.215   5.4152 -263.4164  132.923 -217.6928  142.515 -569.2178  368.560   12.359   6.0394   18.070   8.9903 -5.710696 10.83049 
1 1 1   18    0    0 o   12.890   9.1924 -445.1777  303.881 -445.1777  303.881   0.0000   0.0000   12.890   9.1924   12.890   9.1924 -0.000000 0.000000 
1 1 1   18    1    0 o   11.748   5.9506 -427.7849  187.165 -543.8237  265.600 -313.3213  263.791   10.784   7.8212   12.712   8.9705 -0.000000 0.000000 
1 1 1   18    2    0 o  167.667   2.4824  8101.23  239.380  8585.93  356.260  7702.29  323.216  172.215   3.5854  163.118   3.4343 -0.000000 0.000000 
1 1 1   18    3    0 o   15.631   10.518 -112.7135  271.333 -112.7135  271.333   0.0000   0.0000   15.631   10.518   15.631   10.518 -0.000000 0.000000 
1 1 1   18    4    0 o   76.204   4.4399  1799.10  171.561  1522.17  306.825  1925.06  206.933   71.198   7.6887   81.210   4.4424 -0.000000 0.000000 
1 1 1   18    5    0 o   50.630   8.2009  980.828  200.097  474.315  302.796  1373.50  266.607   33.500   14.841   67.759   6.9825 -0.000000 0.000000 
1 1 1   18    6    0 o  118.425   3.3176  4064.52  225.010  3953.10  301.928  4203.70  337.454  116.629   4.4976  120.220   4.8784 -0.000000 0.000000 
1 1 1   18    7    0 o   10.114   7.3881 -635.5976  263.437   0.0000   0.0000 -635.5976  263.437   10.114   7.3881   10.114   7.3881 -0.000000 0.000000 
1 1 1   18    8    0 o  169.283   2.3968  8343.07  232.650  7707.47  339.930  8903.14  319.092  163.149   3.6116  175.418   3.1519 -0.000000 0.000000 
1 1 1   18    9    0 o   60.986   10.557  1175.64  338.421   0.0000   0.0000  1175.64  338.421   60.986   10.557   60.986   10.557 -0.000000 0.000000 
1 1 1   18   10    0 o  200.784   3.3618 11664.41  389.592 11664.41  389.592   0.0000   0.0000  200.784   3.3618  200.784   3.3618 -0.000000 0.000000 
1 1 1   18   11    0 o   14.688   10.069 -180.4542  273.602   0.0000   0.0000 -180.4542  273.602   14.688   10.069   14.688   10.069 -0.000000 0.000000 
1 1 1   18   12    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   13    0 o  130.455   4.0439  4936.90  304.016  4936.90  304.016   0.0000   0.0000  130.455   4.0439  130.455   4.0439 -0.000000 0.000000 
1 1 1   18   14    0 o   37.470   14.660  564.559  303.433  564.559  303.433   0.0000   0.0000   37.470   14.660   37.470   14.660 -0.000000 0.000000 
1 1 1   18   15    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   16    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   17    0 o  114.460   4.3175  3807.69  284.487   0.0000   0.0000  3807.69  284.487  114.460   4.3175  114.460   4.3175 -0.000000 0.000000 
1 1 1   18   18    0 o   86.906   5.4844  2215.05  272.760   0.0000   0.0000  2215.05  272.760   86.906   5.4844   86.906   5.4844 -0.000000 0.000000 
1 1 1   18   19    0 o   33.434   13.658  458.615  259.630   0.0000   0.0000  458.615  259.630   33.434   13.658   33.434   13.658 -0.000000 0.000000 
1 1 1   18   20    0 o   51.034   9.7878  838.255  257.782   0.0000   0.0000  838.255  257.782   51.034   9.7878   51.034   9.7878 -0.000000 0.000000 
1 1 1   18   21    0 o   67.126   6.7550  1349.13  255.796   0.0000   0.0000  1349.13  255.796   67.126   6.7550   67.126   6.7550 -0.000000 0.000000 
1 1 1   18   22    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   23    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   24    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   25    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   26    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   27    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   28    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   29    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   30    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   31    0 o   23.022   13.540  223.777  305.380  223.777  305.380   0.0000   0.0000   23.022   13.540   23.022   13.540 -0.000000 0.000000 
1 1 1   18   32    0 o   33.659   15.768  552.257  343.090  552.257  343.090   0.0000   0.0000   33.659   15.768   33.659   15.768 -0.000000 0.000000 
1 1 1   18   33    0 o   47.155   13.017  839.677  306.582  839.677  306.582   0.0000   0.0000   47.155   13.017   47.155   13.017 -0.000000 0.000000 
1 1 1   18   34    0 o   20.493   12.800  145.503  310.060  145.503  310.060   0.0000   0.0000   20.493   12.800   20.493   12.800 -0.000000 0.000000 
1 1 1   18   35    0 o   15.144   7.3510 -262.6109  111.839  286.847  318.228 -340.0391  119.460   23.975   13.948   6.3127   4.6465 -0.000000 0.000000 
1 1 1   18   36    0 o   26.172   5.4208  379.656  112.273 -446.5778  330.655  487.328  119.365   12.964   9.3017   39.380   5.5694 -0.000000 0.000000 
1 1 1   18   37    0 o   16.877   6.4481  125.273  104.781 -125.0541  225.088  194.527  118.391   12.972   8.9535   20.783   9.2815 -0.000000 0.000000 
1 1 1   18   38    0 o   17.479   7.2450   84.188  103.037  266.146  223.474   35.064  116.115   22.635   12.240   12.323   7.7551 -0.000000 0.000000 
1 1 1   18   39    0 o   15.299   6.6910   16.502  100.558  223.624  207.489 -47.0806  114.961   20.759   11.592   9.8398   6.6854 -0.000000 0.000000 
1 1 1   18    0   -1 f   17.787   11.722 -57.8206  308.359 -57.8206  308.359   0.0000   0.0000   17.787   11.722   17.787   11.722 -0.000000 0.000000 
1 1 1   18    1   -1 o   70.510   4.8605  1471.76  192.641  1082.59  271.473  1866.50  273.407   60.887   7.7200   80.133   5.9076 -19.24580 9.721013 
1 1 1   18    2   -1 o   93.298   4.1291  2530.24  222.353  2416.81  313.262  2645.40  315.660   91.179   5.9488   95.417   5.7281 -4.237671 8.258259 
1 1 1   18    3   -1 o   13.595   6.8849 -949.7374  270.273 -949.7374  270.273   0.0000   0.0000   13.595   6.8849  ?   ?       ?      ? 
1 1 1   18    4   -1 o   24.855   7.2968   53.069  170.298  132.480  203.872 -130.2536  309.761   25.634   9.8284   24.076   10.788 1.558231 14.59356 
1 1 1   18    5   -1 o   61.183   5.6110  1087.51  198.271   0.0000   0.0000  1087.51  198.271  ?   ?    61.183   5.6110      ?      ? 
1 1 1   18    6   -1 o   40.663   8.4288  494.216  210.100  439.605  281.654  562.726  315.466   38.375   11.670   42.951   12.165 -4.576450 16.85752 
1 1 1   18    7   -1 o  148.476   2.6440  6374.68  226.729  6374.68  226.729   0.0000   0.0000  148.476   2.6440  ?   ?       ?      ? 
1 1 1   18    8   -1 o   68.509   3.3056  1355.43  128.702  1329.94  166.982  1392.73  202.003   67.743   4.2679   69.275   5.0489 -1.531433 6.611109 
1 1 1   18    9   -1 o  125.938   3.1018  4595.18  221.016  4608.36  349.805  4586.42  285.141  126.041   4.8054  125.836   3.9235 0.2055511 6.203665 
1 1 1   18   10   -1 o   43.174   7.6696  584.515  198.048  357.683  291.939  777.908  269.563   35.695   11.992   50.653   9.5651 -14.95785 15.33920 
1 1 1   18   11   -1 o  109.931   4.5175  3503.96  286.817  3503.96  286.817   0.0000   0.0000  109.931   4.5175  ?   ?       ?      ? 
1 1 1   18   12   -1 o   69.078   5.0208  1384.99  200.308  1384.99  200.308   0.0000   0.0000   69.078   5.0208  ?   ?       ?      ? 
1 1 1   18   13   -1 o   46.797   7.5699  618.211  220.234  236.683  292.232  1119.76  335.057   31.885   11.867   61.709   9.4012 -29.82418 15.13980 
1 1 1   18   14   -1 o  168.133   2.3656  8172.97  229.712   0.0000   0.0000  8172.97  229.712  ?   ?   168.133   2.3656      ?      ? 
1 1 1   18   15   -1 o   28.582   6.3716 -96.8255  184.299  564.200  258.488 -780.3094  262.842   42.853   10.521   14.311   7.1893 28.54169 12.74313 
1 1 1   18   16   -1 o   26.125   10.699   76.609  257.207   76.609  257.207   0.0000   0.0000   26.125   10.699  ?   ?       ?      ? 
1 1 1   18   17   -1 o   49.419   9.4875  743.237  260.944  743.237  260.944   0.0000   0.0000   49.419   9.4875  ?   ?       ?      ? 
1 1 1   18   18   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   19   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   20   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   21   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   22   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   23   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   24   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   25   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   26   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   27   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   28   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   29   -1 f   67.536   7.3486  1380.02  286.629   0.0000   0.0000  1380.02  286.629  ?   ?    67.536   7.3486      ?      ? 
1 1 1   18   30   -1 o   74.884   5.2508  1887.63  201.170  2305.49  254.508  1191.86  328.413   88.209   4.9957   61.560   9.2372 26.64991 10.50158 
1 1 1   18   31   -1 o   32.639   8.1659  346.530  190.836  376.889  239.389  293.599  316.090   33.585   10.840   31.692   12.216 1.893120 16.33180 
1 1 1   18   32   -1 o   18.175   6.2716 -450.6627  214.443 -428.8502  291.015 -476.5789  317.211   17.876   8.7122   18.474   9.0238 -0.5976391 12.54320 
1 1 1   18   33   -1 o   47.673   7.2757  714.073  200.326  714.073  200.326   0.0000   0.0000   47.673   7.2757  ?   ?       ?      ? 
1 1 1   18   34   -1 o   21.278   7.1297 -215.0802  227.992 -202.6125  290.574 -235.0499  367.747   20.161   9.5205   22.395   10.616 -2.233910 14.25939 
1 1 1   18   35   -1 o   22.445   6.9676  -8.0651  109.205 -46.0014  115.483  312.646  335.775   14.282   6.4762   30.608   12.339 -16.32607 13.93515 
1 1 1   18   36   -1 o   29.554   4.4203  284.062   72.919  256.581  107.287  307.655   99.409   27.963   6.7255   31.145   5.7379 -3.182428 8.840528 
1 1 1   18   37   -1 o   22.627   5.0182  161.597   75.904  231.988  110.695   99.127  104.282   26.322   7.1128   18.933   7.0807 7.388512 10.03632 
1 1 1   18   38   -1 o   12.250   4.1183 -119.8966   80.324 -67.5149  103.381 -199.6854  127.591   12.701   5.8929   11.799   5.7545 0.9018698 8.236520 
1 1 1   18   39   -1 o   8.9615   3.1862 -297.8954   74.421 -398.4417  116.139 -227.8477   96.938   8.7373   4.4342   9.1858   4.5768 -0.4484873 6.372492 
1 1 1   18    0   -2 o  148.692   2.7318  6463.99  231.668  5928.26  345.152  6903.23  312.528  142.978   4.1879  154.405   3.5087 -0.000000 0.000000 
1 1 1   18    1   -2 o   35.309   7.9290  343.513  193.106  531.226  272.626  154.510  273.562   41.678   11.120   28.940   11.306 12.73752 15.85797 
1 1 1   18    2   -2 o  153.007   2.3954  6837.48  193.230  6621.71  352.243  6930.35  231.107  151.195   4.0338  154.819   2.5847 -3.624054 4.790864 
1 1 1   18    3   -2 o   26.186   7.2097 -66.0612  191.551  342.933  276.779 -442.0250  265.368   34.926   11.676   17.446   8.4606 17.47942 14.41949 
1 1 1   18    4   -2 o   90.274   3.8167  2461.52  182.564  2630.36  222.733  2115.86  318.691   95.291   4.0471   85.257   6.4722 10.03316 7.633392 
1 1 1   18    5   -2 o   17.318   5.9116 -395.2507  159.975 -184.9653  276.080 -501.5474  196.287   21.536   9.8598   13.100   6.5247 8.435442 11.82314 
1 1 1   18    6   -2 o   75.084   4.5610  1650.77  196.400  1537.79  289.073  1747.64  267.663   72.642   6.8903   77.527   5.9779 -4.885201 9.122035 
1 1 1   18    7   -2 o   12.805   6.4034 -542.0612  197.529 -542.0612  197.529   0.0000   0.0000   12.805   6.4034  ?   ?       ?      ? 
1 1 1   18    8   -2 o   87.084   4.2555  2225.50  210.102  2745.56  299.838  1723.81  294.493   97.236   5.3392   76.932   6.6280 20.30445 8.510999 
1 1 1   18    9   -2 o   63.556   5.4156  1260.93  163.614  1035.19  332.681  1332.95  187.910   59.325   9.7096   67.787   4.7997 -8.461666 10.83119 
1 1 1   18   10   -2 o   64.320   5.1393  1209.45  190.399  1308.36  268.892  1109.99  269.639   66.991   6.9499   61.649   7.5730 5.341763 10.27869 
1 1 1   18   11   -2 o   41.658   5.4884  301.321  197.018  1311.16  289.449 -570.4274  268.931   67.009   7.4792   16.308   8.0345 50.70048 10.97687 
1 1 1   18   12   -2 o  112.985   3.5927  3696.03  234.434  3696.03  234.434   0.0000   0.0000  112.985   3.5927  ?   ?       ?      ? 
1 1 1   18   13   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   14   -2 o  147.402   2.3969  6394.69  184.085  6043.69  340.091  6540.15  218.930  144.412   4.0776  150.391   2.5206 -5.978622 4.793757 
1 1 1   18   15   -2 o   64.138   5.5941  1264.50  189.265  1740.27  267.488  787.505  267.836   77.325   5.9896   50.951   9.4498 26.37398 11.18817 
1 1 1   18   16   -2 o   20.851   9.9618 -812.5043  205.070 -442.0617  337.042 -1030.2520  258.405   20.851   9.9618  ?   ?       ?      ? 
1 1 1   18   17   -2 o   34.988   11.273  356.694  259.000   0.0000   0.0000  356.694  259.000  ?   ?    34.988   11.273      ?      ? 
1 1 1   18   18   -2 o  102.905   4.5877  3074.32  272.658   0.0000   0.0000  3074.32  272.658  ?   ?   102.905   4.5877      ?      ? 
1 1 1   18   19   -2 o   50.249   9.1495  767.370  255.745   0.0000   0.0000  767.370  255.745  ?   ?    50.249   9.1495      ?      ? 
1 1 1   18   20   -2 o   17.454   8.3808 -347.8927  245.160   0.0000   0.0000 -347.8927  245.160  ?   ?    17.454   8.3808      ?      ? 
1 1 1   18   21   -2 o   64.605   4.7566  1229.71  176.070  1060.62  250.200  1395.60  247.818   60.112   7.2068   69.098   6.2099 -8.986534 9.513186 
1 1 1   18   22   -2 o   81.152   3.7653  1921.99  176.117  2074.70  250.261  1772.15  247.891   84.376   5.1356   77.928   5.5078 6.447777 7.530608 
1 1 1   18   23   -2 o   32.618   5.4824  125.881  165.433 -505.9100  235.295  743.507  232.642   15.113   7.4590   50.122   8.0367 -35.00863 10.96471 
1 1 1   18   24   -2 o   34.134   4.9563  113.164  161.154  886.715  229.582 -638.2006  226.266   54.793   7.2548   13.474   6.7549 41.31930 9.912677 
1 1 1   18   25   -2 o   50.522   5.9831  845.029  160.004  1401.98  227.648  301.262  224.937   69.127   5.7020   31.916   10.520 37.21091 11.96630 
1 1 1   18   26   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   27   -2 f   44.226   10.654  628.639  268.888  628.639  268.888   0.0000   0.0000   44.226   10.654  ?   ?       ?      ? 
1 1 1   18   28   -2 o   56.785   8.9315  987.876  292.917   0.0000   0.0000  987.876  292.917  ?   ?    56.785   8.9315      ?      ? 
1 1 1   18   29   -2 o   16.212   5.7171 -799.6140  220.018 -478.0632  294.147 -1208.0090  331.497   17.930   8.7428   14.493   7.3692 3.436403 11.43424 
1 1 1   18   30   -2 o   31.846   8.3653  238.098  217.379   29.658  288.440  512.121  330.719   24.978   10.825   38.714   12.756 -13.73573 16.73059 
1 1 1   18   31   -2 o   58.017   6.7516  1180.10  198.784  1372.16  248.081  835.592  332.260   67.229   6.3893   48.804   11.896 18.42480 13.50324 
1 1 1   18   32   -2 f   44.462   7.0084  581.767  212.816   76.799  275.913  1323.42  334.379   24.966   10.702   63.958   9.0523 -38.99129 14.01684 
1 1 1   18   33   -2 o   21.024   6.7096 -17.4746  158.669   47.457  179.266 -252.3345  340.937   20.507   8.7034   21.542   10.214 -1.034559 13.41922 
1 1 1   18   34   -2 o   18.232   6.2954 -259.6745  150.421 -294.3236  166.875 -109.5076  347.401   13.117   6.4357   23.347   10.822 -10.23027 12.59077 
1 1 1   18   35   -2 o   42.490   8.9511  720.922  235.564  690.494  320.718  756.567  347.124   41.759   12.398   43.221   12.914 -1.462364 17.90216 
1 1 1   18   36   -2 o   42.752   8.1725  722.201  204.194  758.542  251.513  651.933  349.741   46.159   9.7407   39.345   13.125 6.813637 16.34494 
1 1 1   18   37   -2 f   17.120   5.4710 -12.6620   95.677 -10.5473  107.407 -20.7883  210.549   14.676   6.4766   19.564   8.8193 -4.888126 10.94194 
1 1 1   18   38   -2 f   26.592   5.0897  252.931   83.052  308.420  105.380  161.956  134.931   30.741   6.1502   22.442   8.1114 8.299242 10.17934 
1 1 1   18   39   -2 o   17.823   4.8489   83.633   72.341   35.296  112.532  117.678   94.440   16.301   6.9058   19.344   6.8087 -3.042738 9.697866 
1 1 1   18    0   -3 o   59.949   6.4115  1107.32  205.764  1170.34  311.113  1058.32  274.332   61.378   9.4408   58.521   8.6778 -0.000000 0.000000 
1 1 1   18    1   -3 o   23.318   7.2486 -90.2413  192.933   32.529  271.529 -215.4261  274.186   25.690   10.797   20.945   9.6750 4.745193 14.49722 
1 1 1   18    2   -3 o   48.084   7.6475  711.982  219.568  367.896  312.921  1045.69  308.165   36.446   12.414   59.723   8.9343 -23.27673 15.29495 
1 1 1   18    3   -3 f   17.522   6.0119 -461.1879  191.176 -558.3189  275.844 -371.4109  265.196   16.770   8.2371   18.274   8.7591 -1.504717 12.02383 
1 1 1   18    4   -3 o   14.802   5.2670 -883.5922  203.705 -766.1523  270.413 -1037.6750  309.740   14.783   7.4071   14.821   7.4901 -0.3883171E-01 10.53409 
1 1 1   18    5   -3 o   53.922   6.8630  913.754  202.186  414.326  281.761  1443.90  290.297   37.479   11.721   70.366   7.1433 -32.88661 13.72608 
1 1 1   18    6   -3 o   39.889   9.3647  485.634  212.049  485.634  212.049   0.0000   0.0000   39.889   9.3647  ?   ?       ?      ? 
1 1 1   18    7   -3 o   17.869   6.1216 -467.6190  192.716 -323.6588  287.836 -584.5869  259.452   20.031   9.4642   15.707   7.7671 4.324320 12.24330 
1 1 1   18    8   -3 o  114.718   3.1524  3810.25  208.117  3871.38  308.664  3759.29  281.811  115.543   4.6255  113.892   4.2843 1.651100 6.304758 
1 1 1   18    9   -3 o   86.708   4.4660  2108.56  216.429  3040.09  340.191  1475.15  280.522  102.270   5.7596   71.146   6.8270 31.12384 8.931997 
1 1 1   18   10   -3 o   72.397   4.7980  1530.75  199.653  1490.45  294.969  1564.81  271.227   71.480   7.1451   73.314   6.4056 -1.833870 9.596021 
1 1 1   18   11   -3 o  137.542   4.0285  5480.83  320.010  5480.83  320.010   0.0000   0.0000  137.542   4.0285  ?   ?       ?      ? 
1 1 1   18   12   -3 o   16.044   7.7667 -359.8666  221.125 -359.8666  221.125   0.0000   0.0000   16.044   7.7667  ?   ?       ?      ? 
1 1 1   18   13   -3 o   29.137   6.9895   62.068  186.322 -389.3371  266.593  493.107  260.510   18.110   8.7071   40.163   10.936 -22.05323 13.97898 
1 1 1   18   14   -3 o  115.426   4.4675  3863.88  297.822  3863.88  297.822   0.0000   0.0000  115.426   4.4675  ?   ?       ?      ? 
1 1 1   18   15   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   16   -3 o   20.234   9.7505 -505.6711  338.887 -505.6711  338.887   0.0000   0.0000   20.234   9.7505  ?   ?       ?      ? 
1 1 1   18   17   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   18   -3 o   30.931   11.115  244.940  252.936  244.940  252.936   0.0000   0.0000   30.931   11.115  ?   ?       ?      ? 
1 1 1   18   19   -3 o  119.020   4.0705  4109.38  279.804  4109.38  279.804   0.0000   0.0000  119.020   4.0705  ?   ?       ?      ? 
1 1 1   18   20   -3 o   33.088   11.155  309.992  252.613  309.992  252.613   0.0000   0.0000   33.088   11.155  ?   ?       ?      ? 
1 1 1   18   21   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   22   -3 o   99.867   5.9455  2916.07  342.924  2916.07  342.924   0.0000   0.0000   99.867   5.9455  ?   ?       ?      ? 
1 1 1   18   23   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   24   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   25   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   26   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   27   -3 o   40.752   8.3371  560.149  214.774  686.619  270.768  345.569  352.693   46.311   10.380   35.193   13.049 11.11844 16.67427 
1 1 1   18   28   -3 o   71.899   4.8803  1545.78  201.199  1526.40  268.339  1570.65  304.077   71.533   6.4952   72.266   7.2856 -0.7321167 9.760512 
1 1 1   18   29   -3 o   22.155   7.2768 -203.2987  222.476 -171.1205  294.753 -245.9027  339.157   21.788   10.053   22.521   10.524 -0.7335949 14.55361 
1 1 1   18   30   -3 o   65.513   6.9951  1571.93  224.158  2185.76  294.890  731.817  344.987   85.360   5.9817   45.667   12.647 39.69276 13.99025 
1 1 1   18   31   -3 o   37.116   7.4071  265.613  219.365 -234.8455  283.205  1016.22  346.835   19.980   9.4239   54.252   11.430 -34.27178 14.81413 
1 1 1   18   32   -3 o   20.757   6.9760 -290.1387  217.698 -396.5042  276.943 -118.1219  352.189   17.580   8.5526   23.933   11.023 -6.353205 13.95196 
1 1 1   18   33   -3 o   42.917   7.0952  733.055  219.521  1138.90  275.935   33.338  362.317   59.623   8.0132   26.212   11.711 33.41151 14.19043 
1 1 1   18   34   -3 o   19.495   6.6279 -254.8627  194.215 -271.5340  231.491 -215.2344  356.905   16.747   8.0675   22.243   10.518 -5.495428 13.25576 
1 1 1   18   35   -3 o   17.453   7.2173   46.870  118.500   46.870  118.500   0.0000   0.0000   17.453   7.2173  ?   ?       ?      ? 
1 1 1   18   36   -3 o   35.050   5.5828  379.192  113.013  379.192  113.013   0.0000   0.0000   35.050   5.5828  ?   ?       ?      ? 
1 1 1   18   37   -3 o   21.723   6.1110  122.123  107.197  120.156  126.705  127.076  201.071   20.571   7.7812   22.875   9.4249 -2.304413 12.22192 
1 1 1   18   38   -3 o   24.723   5.4592  204.886   84.645  236.238  137.080  185.565  107.610   25.988   8.1832   23.459   7.2283 2.529099 10.91847 
1 1 1   18   39   -3 o   15.521   6.6059   26.983  103.792   26.983  103.792   0.0000   0.0000   15.521   6.6059  ?   ?       ?      ? 
1 1 1   18    0   -4 o   77.202   5.0823  1744.17  211.927  2446.97  322.991  1212.86  280.833   91.264   6.1933   63.140   8.0600 -0.000000 0.000000 
1 1 1   18    1   -4 o   29.568   9.7907  245.339  194.734   0.0000   0.0000  245.339  194.734  ?   ?    29.568   9.7907      ?      ? 
1 1 1   18    2   -4 o   85.660   4.3519  2126.61  215.298  2126.61  215.298   0.0000   0.0000   85.660   4.3519  ?   ?       ?      ? 
1 1 1   18    3   -4 o   44.278   5.3419  493.525  196.734 -561.8229  282.390  1488.81  274.236   17.056   8.3691   71.500   6.6410 -54.44337 10.68387 
1 1 1   18    4   -4 o  119.355   2.7407  4122.77  182.747  4114.12  230.742  4137.32  299.330  119.231   3.3508  119.479   4.3378 -0.2481995 5.481305 
1 1 1   18    5   -4 o   82.026   3.6420  1879.47  163.167  2177.08  289.729  1741.23  197.457   86.546   5.7964   77.505   4.4112 9.040749 7.284024 
1 1 1   18    6   -4 o   43.410   8.8849  572.055  215.255  572.055  215.255   0.0000   0.0000   43.410   8.8849  ?   ?       ?      ? 
1 1 1   18    7   -4 o   83.641   4.1704  2022.37  200.881  2222.28  297.076  1853.97  272.668   87.428   5.8834   79.853   5.9123 7.575554 8.340870 
1 1 1   18    8   -4 f   92.051   3.8981  2444.35  203.157  3178.37  301.721  1835.55  274.780  104.655   4.9918   79.447   5.9886 25.20836 7.796227 
1 1 1   18    9   -4 o   78.736   4.8733  1794.46  218.828  1884.69  340.760  1731.14  285.468   80.359   7.3423   77.113   6.4098 3.245766 9.746530 
1 1 1   18   10   -4 o  141.156   2.7466  5762.48  223.914  5762.48  223.914   0.0000   0.0000  141.156   2.7466  ?   ?       ?      ? 
1 1 1   18   11   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   12   -4 o   18.261   8.9845 -685.8476  332.508 -685.8476  332.508   0.0000   0.0000   18.261   8.9845  ?   ?       ?      ? 
1 1 1   18   13   -4 o  118.636   2.9593  4076.56  202.396  4425.66  290.485  3747.19  282.160  123.581   4.0699  113.691   4.2972 9.889336 5.918626 
1 1 1   18   14   -4 o   58.814   7.6430  1011.62  259.615   0.0000   0.0000  1011.62  259.615  ?   ?    58.814   7.6430      ?      ? 
1 1 1   18   15   -4 o  ?   ?  -1536.3870  249.580   0.0000   0.0000 -1536.3870  249.580  ?   ?   ?   ?       ?      ? 
1 1 1   18   16   -4 o   35.907   11.072  383.896  252.421   0.0000   0.0000  383.896  252.421  ?   ?    35.907   11.072      ?      ? 
1 1 1   18   17   -4 o   14.855   7.3851 -605.6606  246.746   0.0000   0.0000 -605.6606  246.746  ?   ?    14.855   7.3851      ?      ? 
1 1 1   18   18   -4 o   18.975   8.9544 -744.9890  177.013 -280.5065  256.263 -1168.8430  244.799   18.975   8.9544  ?   ?       ?      ? 
1 1 1   18   19   -4 o   30.802   10.934  249.308  244.054   0.0000   0.0000  249.308  244.054  ?   ?    30.802   10.934      ?      ? 
1 1 1   18   20   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   21   -4 o  108.626   3.6163  3672.03  206.965  2794.14  350.257  4142.99  256.542   97.746   6.2044  119.506   3.7169 -21.75980 7.232594 
1 1 1   18   22   -4 o   34.840   10.568  368.638  231.170   0.0000   0.0000  368.638  231.170  ?   ?    34.840   10.568      ?      ? 
1 1 1   18   23   -4 o   70.974   5.6785  1473.62  232.766   0.0000   0.0000  1473.62  232.766  ?   ?    70.974   5.6785      ?      ? 
1 1 1   18   24   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   25   -4 o   69.163   5.7887  1471.44  222.043  1880.78  309.262  1035.94  318.995   79.773   6.7125   58.554   9.4329 21.21910 11.57747 
1 1 1   18   26   -4 o   24.138   7.3884 -204.3497  214.722 -577.8133  294.922  216.919  313.229   17.225   8.4721   31.052   12.107 -13.82727 14.77674 
1 1 1   18   27   -4 o   53.011   6.7042  776.012  227.482   9.9693  291.783  1963.25  363.248   25.250   10.916   80.773   7.7867 -55.52285 13.40833 
1 1 1   18   28   -4 o   31.120   8.2578  110.693  220.749 -162.5718  280.871  552.233  357.026   21.449   9.8660   40.790   13.245 -19.34139 16.51564 
1 1 1   18   29   -4 o   39.415   7.9190  526.386  204.449  740.664  274.828  260.850  305.938   47.557   10.304   31.273   12.028 16.28373 15.83799 
1 1 1   18   30   -4 o   47.854   6.4222  932.941  217.823  1564.75  272.014 -196.3772  363.668   71.900   6.5506   23.809   11.048 48.09093 12.84440 
1 1 1   18   31   -4 o   42.215   6.8171  346.033  215.664 -176.4514  265.771  1353.42  369.036   20.043   9.3491   64.386   9.9241 -44.34316 13.63426 
1 1 1   18   32   -4 o   26.316   7.2829 -76.9696  216.855  470.218  293.172 -738.0650  322.245   36.148   12.015   16.485   8.2341 19.66307 14.56584 
1 1 1   18   33   -4 o   38.131   6.2764  408.609  228.805  1098.73  290.561 -717.8227  371.217   58.004   8.6735   18.259   9.0742 39.74506 12.55270 
1 1 1   18   34   -4 o   32.188   8.0832  346.493  227.496  616.096  288.045 -100.5006  370.892   40.304   11.691   24.072   11.166 16.23188 16.16649 
1 1 1   18   35   -4 o   55.839   6.0538  881.750  133.331  818.290  142.965  1305.54  369.452   52.027   4.7579   59.650   11.134 -7.622520 12.10766 
1 1 1   18   36   -4 o   50.051   7.4378  857.424  198.971  716.686  241.947  1151.47  349.720   44.844   9.6293   55.258   11.338 -10.41339 14.87560 
1 1 1   18   37   -4 o   26.202   7.7130  198.126  190.755  208.356  243.251  181.787  307.410   26.004   10.495   26.399   11.305 -0.3945560 15.42607 
1 1 1   18   38   -4 o   49.368   3.6244  759.486  102.132  717.354  153.610  792.867  136.731   47.838   5.5598   50.898   4.6513 -3.060005 7.248883 
1 1 1   18   39   -4 o   27.620   5.2808  260.167   85.955  209.888  112.110  331.876  133.887   24.543   7.3403   30.696   7.5939 -6.152412 10.56159 
1 1 1   18    0   -5 o   58.969   6.3148  1076.68  200.313  1121.26  288.050  1034.94  278.749   60.267   8.8307   57.672   9.0293 -0.000000 0.000000 
1 1 1   18    1   -5 o   90.886   5.4260  2398.92  284.813   0.0000   0.0000  2398.92  284.813  ?   ?    90.886   5.4260      ?      ? 
1 1 1   18    2   -5 f   46.522   7.7430  632.262  208.046  632.262  208.046   0.0000   0.0000   46.522   7.7430  ?   ?       ?      ? 
1 1 1   18    3   -5 o   94.544   3.8143  2598.14  208.076  2699.40  292.322  2494.14  296.244   96.427   5.2490   92.660   5.5357 3.766266 7.628624 
1 1 1   18    4   -5 o   78.374   4.6351  1779.05  209.243  1941.33  309.380  1642.23  284.066   81.650   6.5607   75.098   6.5494 6.551949 9.270261 
1 1 1   18    5   -5 o   68.741   4.9922  1371.18  198.194   0.0000   0.0000  1371.18  198.194  ?   ?    68.741   4.9922      ?      ? 
1 1 1   18    6   -5 o   25.905   11.386 -74.8950  328.806 -74.8950  328.806   0.0000   0.0000   25.905   11.386  ?   ?       ?      ? 
1 1 1   18    7   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    8   -5 f   91.956   3.5713  2445.24  189.228  2327.68  257.155  2584.07  279.452   89.562   4.9715   94.351   5.1283 -4.789032 7.142518 
1 1 1   18    9   -5 o   90.336   4.2822  2427.04  215.749  2144.09  341.671  2614.68  278.236   85.761   6.8982   94.911   5.0759 -9.150085 8.564405 
1 1 1   18   10   -5 o   98.878   3.5009  2830.29  199.922  2830.29  199.922   0.0000   0.0000   98.878   3.5009  ?   ?       ?      ? 
1 1 1   18   11   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   12   -5 o   39.999   6.8275  495.607  205.964 -189.5673  335.031  911.878  261.140   24.188   10.992   55.811   8.1016 -31.62282 13.65505 
1 1 1   18   13   -5 o   65.060   7.9580  1238.97  299.021  1238.97  299.021   0.0000   0.0000   65.060   7.9580  ?   ?       ?      ? 
1 1 1   18   14   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   15   -5 o   53.795   6.6870  844.308  207.757  844.308  207.757   0.0000   0.0000   53.795   6.6870  ?   ?       ?      ? 
1 1 1   18   16   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   17   -5 o   28.114   11.012  146.587  260.080  146.587  260.080   0.0000   0.0000   28.114   11.012  ?   ?       ?      ? 
1 1 1   18   18   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   19   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   20   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   21   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   22   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   23   -5 o   37.728   12.850  417.804  335.278   0.0000   0.0000  417.804  335.278  ?   ?    37.728   12.850      ?      ? 
1 1 1   18   24   -5 o   79.559   4.3238  1844.04  198.676   0.0000   0.0000  1844.04  198.676  ?   ?    79.559   4.3238      ?      ? 
1 1 1   18   25   -5 f   51.477   6.1242  780.785  182.074   0.0000   0.0000  780.785  182.074  ?   ?    51.477   6.1242      ?      ? 
1 1 1   18   26   -5 o   42.039   12.471  573.510  324.576   0.0000   0.0000  573.510  324.576  ?   ?    42.039   12.471      ?      ? 
1 1 1   18   27   -5 f   65.403   6.8503  1300.57  246.729  1750.07  378.717  969.109  325.217   75.824   8.6482   54.982   10.626 20.84173 13.70056 
1 1 1   18   28   -5 o   32.454   9.0070  210.992  260.162 -18.8482  362.940  453.910  373.121   27.006   11.912   37.902   13.513 -10.89598 18.01391 
1 1 1   18   29   -5 o   20.503   6.9884 -556.5845  256.786 -191.3417  352.240 -970.8688  375.143   23.668   10.944   17.339   8.6932 6.328978 13.97671 
1 1 1   18   30   -5 o   27.818   8.2616  126.958  223.228  111.257  298.391  146.913  336.398   26.897   11.312   28.739   12.044 -1.841429 16.52320 
1 1 1   18   31   -5 o   27.709   7.8833   45.111  149.733 -39.6054  162.656  515.605  383.322   17.583   7.8523   37.835   13.672 -20.25156 15.76659 
1 1 1   18   32   -5 o   30.998   8.7572  256.664  230.548  154.869  289.156  434.302  381.976   26.942   11.218   35.054   13.450 -8.112745 17.51445 
1 1 1   18   33   -5 o   13.736   6.2881 -60.7147  112.242   0.0000   0.0000 -60.7147  112.242  ?   ?    13.736   6.2881      ?      ? 
1 1 1   18   34   -5 o   14.820   5.2972 -756.1792  202.096 -585.4408  239.504 -1178.3180  376.595   13.964   6.9930   15.676   7.9585 -1.712142 10.59436 
1 1 1   18   35   -5 o   20.121   6.6850 -166.4525  199.799 -26.2370  240.448 -479.2316  359.121   20.858   9.4116   19.384   9.4962 1.474390 13.36992 
1 1 1   18   36   -5 o   22.509   7.0752   22.395  166.248 -25.3407  196.119  144.279  313.382   18.962   8.5332   26.055   11.288 -7.092613 14.15041 
1 1 1   18   37   -5 o   15.143   6.6760  -7.1690  113.842   0.0000   0.0000  -7.1690  113.842  ?   ?    15.143   6.6760      ?      ? 
1 1 1   18   38   -5 o   26.450   4.7909  228.320   74.066  309.810  114.277  169.294   97.259   30.420   6.6868   22.480   6.8626 7.939917 9.581709 
1 1 1   18    0   -6 o  120.451   4.5006  4215.41  312.094  4215.41  312.094   0.0000   0.0000  120.451   4.5006  120.451   4.5006 -0.000000 0.000000 
1 1 1   18    1   -6 o   32.541   7.0473  276.178  170.697  529.954  231.131 -28.3193  253.178   41.638   9.7781   23.443   10.151 18.19504 14.09459 
1 1 1   18    2   -6 o   31.364   6.8106  297.529  147.465  421.412  182.107   61.572  251.325   37.202   8.6410   25.527   10.530 11.67497 13.62124 
1 1 1   18    3   -6 o   76.951   5.4901  1720.06  243.997  1720.06  243.997   0.0000   0.0000   76.951   5.4901  ?   ?       ?      ? 
1 1 1   18    4   -6 o   51.535   6.6255  806.760  190.157  965.261  264.709  637.749  273.345   57.458   7.9769   45.613   10.581 11.84555 13.25109 
1 1 1   18    5   -6 o   28.120   7.6909  127.814  180.550   25.445  240.073  261.102  273.939   24.097   10.141   32.142   11.566 -8.044889 15.38181 
1 1 1   18    6   -6 o   61.897   6.2104  1110.64  208.776  1594.21  321.373  757.532  274.618   73.888   7.5309   49.906   9.8774 23.98215 12.42082 
1 1 1   18    7   -6 f   19.299   9.1096 -295.1177  265.516   0.0000   0.0000 -295.1177  265.516  ?   ?    19.299   9.1096      ?      ? 
1 1 1   18    8   -6 o   28.325   10.825  166.483  246.814  166.483  246.814   0.0000   0.0000   28.325   10.825  ?   ?       ?      ? 
1 1 1   18    9   -6 o  131.824   4.7960  5041.54  365.140  5041.54  365.140   0.0000   0.0000  131.824   4.7960  ?   ?       ?      ? 
1 1 1   18   10   -6 o  123.859   3.9534  4444.30  282.803  4444.30  282.803   0.0000   0.0000  123.859   3.9534  ?   ?       ?      ? 
1 1 1   18   11   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   12   -6 o   49.253   6.6135  913.874  208.373 -63.6206  338.428  1510.69  264.441   26.489   11.599   72.018   6.3577 -45.52908 13.22706 
1 1 1   18   13   -6 o   34.814   6.9055  294.023  182.915  692.294  256.915 -115.3853  260.483   47.655   9.6652   21.972   9.8655 25.68327 13.81098 
1 1 1   18   14   -6 o   39.121   11.045  466.731  260.498   0.0000   0.0000  466.731  260.498  ?   ?    39.121   11.045      ?      ? 
1 1 1   18   15   -6 o  114.462   3.4356  3842.72  218.624  3658.87  357.212  3952.84  276.447  112.159   5.5145  116.765   4.0993 -4.605934 6.871270 
1 1 1   18   16   -6 o   32.973   11.459  294.920  267.083  294.920  267.083   0.0000   0.0000   32.973   11.459  ?   ?       ?      ? 
1 1 1   18   17   -6 o   44.997   9.9881  622.409  252.796   0.0000   0.0000  622.409  252.796  ?   ?    44.997   9.9881      ?      ? 
1 1 1   18   18   -6 o   27.017   10.675  127.610  246.305   0.0000   0.0000  127.610  246.305  ?   ?    27.017   10.675      ?      ? 
1 1 1   18   19   -6 o  118.899   3.9286  4101.29  269.774   0.0000   0.0000  4101.29  269.774  ?   ?   118.899   3.9286      ?      ? 
1 1 1   18   20   -6 o   34.267   7.7556  179.522  195.021  696.518  335.321 -84.7396  239.737   47.109   12.220   21.425   9.5531 25.68378 15.51125 
1 1 1   18   21   -6 o   60.797   6.7968  1084.94  238.655   0.0000   0.0000  1084.94  238.655  ?   ?    60.797   6.7968      ?      ? 
1 1 1   18   22   -6 o   94.243   6.5576  2608.23  356.926   0.0000   0.0000  2608.23  356.926  ?   ?    94.243   6.5576      ?      ? 
1 1 1   18   23   -6 o   38.094   13.071  426.482  346.958   0.0000   0.0000  426.482  346.958  ?   ?    38.094   13.071      ?      ? 
1 1 1   18   24   -6 o   57.248   7.7299  1060.60  234.514  1149.71  290.148  892.696  398.271   62.092   8.0910   52.405   13.174 9.686893 15.45980 
1 1 1   18   25   -6 o   23.041   7.6523 -322.0447  257.443 -291.6216  343.156 -361.2133  389.367   22.544   10.551   23.539   11.087 -0.9954910 15.30458 
1 1 1   18   26   -6 o   64.585   4.9889  1224.27  186.090   0.0000   0.0000  1224.27  186.090  ?   ?    64.585   4.9889      ?      ? 
1 1 1   18   27   -6 o  102.057   4.4777  3102.36  262.068  3075.58  393.416  3123.73  351.376  101.474   6.7129  102.641   5.9274 -1.167404 8.955339 
1 1 1   18   28   -6 f   32.645   9.0849  259.730  252.021  348.175  370.807  183.800  343.572   34.917   13.286   30.373   12.394 4.544439 18.16988 
1 1 1   18   29   -6 o   26.415   8.1545 -147.5504  267.716  274.221  362.094 -656.1160  397.609   32.507   12.911   20.323   9.9637 12.18390 16.30894 
1 1 1   18   30   -6 o   69.104   7.6196  1737.34  265.972  2416.90  357.422  894.091  398.146   88.865   6.9641   49.342   13.555 39.52259 15.23926 
1 1 1   18   31   -6 o   25.221   8.0353 -85.9782  259.457  137.436  344.347 -379.3959  394.625   28.185   12.015   22.257   10.673 5.927731 16.07050 
1 1 1   18   32   -6 f   17.132   6.0432 -777.5577  239.316 -448.9992  338.430 -1106.1700  338.457   19.375   9.4322   14.889   7.5574 4.486431 12.08634 
1 1 1   18   33   -6 o   20.422   7.8467  105.754  130.120   0.0000   0.0000  105.754  130.120  ?   ?    20.422   7.8467      ?      ? 
1 1 1   18   34   -6 o   32.555   7.7478  346.219  225.387  688.377  284.089 -234.9494  370.248   42.830   11.315   22.279   10.587 20.55166 15.49570 
1 1 1   18   35   -6 o   33.442   7.2844  321.375  114.247  575.391  324.066  285.324  122.085   37.592   12.634   29.293   7.2543 8.298744 14.56879 
1 1 1   18   36   -6 o   18.082   7.3833   62.633  122.019   62.633  122.019   0.0000   0.0000   18.082   7.3833  ?   ?       ?      ? 
1 1 1   18   37   -6 o   15.834   5.5047 -228.2551  135.505 -203.8374  151.935 -323.1955  299.592   13.262   6.4243   18.406   8.9408 -5.144585 11.00948 
1 1 1   18   38   -6 o   30.942   6.4850  358.056  119.021  345.058  223.455  363.204  140.631   29.603   10.467   32.282   7.6584 -2.679075 12.96997 
1 1 1   18    0   -7 o  121.750   4.5289  4306.79  317.451  4306.79  317.451   0.0000   0.0000  121.750   4.5289  121.750   4.5289 -0.000000 0.000000 
1 1 1   18    1   -7 o   18.132   5.9472 -361.3476  163.893  -4.6632  233.386 -708.3820  230.207   23.035   9.8572   13.229   6.6567 9.805480 11.89439 
1 1 1   18    2   -7 o   40.532   6.6333  506.724  151.469  545.644  200.726  455.251  230.835   42.442   8.4855   38.622   10.198 3.819794 13.26660 
1 1 1   18    3   -7 o   49.456   8.0432  715.327  229.739   0.0000   0.0000  715.327  229.739  ?   ?    49.456   8.0432      ?      ? 
1 1 1   18    4   -7 o   81.270   6.5469  1923.43  307.291  1923.43  307.291   0.0000   0.0000   81.270   6.5469  ?   ?       ?      ? 
1 1 1   18    5   -7 o  125.660   2.8039  4566.92  203.494   0.0000   0.0000  4566.92  203.494  ?   ?   125.660   2.8039      ?      ? 
1 1 1   18    6   -7 o   30.862   11.890 -743.5278  179.691  192.789  299.314 -1271.1470  224.686   30.862   11.890  ?   ?       ?      ? 
1 1 1   18    7   -7 o   15.638   7.6146 -392.4421  220.915   0.0000   0.0000 -392.4421  220.915  ?   ?    15.638   7.6146      ?      ? 
1 1 1   18    8   -7 o   22.207   6.8948 -55.9095  170.120 -82.8102  249.602 -32.5729  232.480   22.092   9.8049   22.321   9.6964 -0.2294559 13.78968 
1 1 1   18    9   -7 o   55.104   6.4261  942.622  187.812  783.662  307.400  1037.30  237.239   50.564   10.851   59.644   6.8871 -9.079685 12.85212 
1 1 1   18   10   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   11   -7 f   70.656   6.6354  1455.19  270.772  1455.19  270.772   0.0000   0.0000   70.656   6.6354  ?   ?       ?      ? 
1 1 1   18   12   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   13   -7 o   40.740   11.160  508.594  270.328  508.594  270.328   0.0000   0.0000   40.740   11.160  ?   ?       ?      ? 
1 1 1   18   14   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   15   -7 o   58.041   10.826  1030.42  349.561  1030.42  349.561   0.0000   0.0000   58.041   10.826  ?   ?       ?      ? 
1 1 1   18   16   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   17   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   18   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   19   -7 o   68.988   6.8099  1394.40  271.331  1394.40  271.331   0.0000   0.0000   68.988   6.8099  ?   ?       ?      ? 
1 1 1   18   20   -7 o   28.285   8.4126   9.7018  244.755  204.378  335.172 -212.7043  358.249   31.953   12.506   24.616   11.256 7.337172 16.82521 
1 1 1   18   21   -7 o   59.938   6.8446  999.296  216.888  350.721  271.744  2137.52  359.992   34.691   11.569   85.184   7.3172 -50.49352 13.68924 
1 1 1   18   22   -7 o   50.548   6.0740  749.164  177.323   0.0000   0.0000  749.164  177.323  ?   ?    50.548   6.0740      ?      ? 
1 1 1   18   23   -7 o   21.982   8.8406   73.460  171.928   0.0000   0.0000   73.460  171.928  ?   ?    21.982   8.8406      ?      ? 
1 1 1   18   24   -7 o   13.378   6.6804 -551.1360  211.401 -551.1360  211.401   0.0000   0.0000   13.378   6.6804  ?   ?       ?      ? 
1 1 1   18   25   -7 o   27.510   9.8107  205.844  196.691   0.0000   0.0000  205.844  196.691  ?   ?    27.510   9.8107      ?      ? 
1 1 1   18   26   -7 o   74.299   5.7031  1631.72  225.831  1577.06  269.832  1759.54  412.622   72.860   6.4124   75.737   9.4332 -2.877464 11.40627 
1 1 1   18   27   -7 f   25.815   7.6911 -112.4141  151.083  411.065  389.484 -205.1340  163.918   37.055   13.718   14.574   6.9586 22.48140 15.38227 
1 1 1   18   28   -7 o   23.060   9.2524   98.755  187.839   98.755  187.839   0.0000   0.0000   23.060   9.2524  ?   ?       ?      ? 
1 1 1   18   29   -7 o   24.910   7.6445   39.355  182.146   26.569  211.870   75.578  356.595   21.843   9.3708   27.976   12.081 -6.132193 15.28903 
1 1 1   18   30   -7 o   55.957   6.9024  1013.91  206.872  982.650  255.353  1073.60  352.881   56.098   7.8815   55.816   11.334 0.2821236 13.80480 
1 1 1   18   31   -7 o   20.058   6.5631 -121.5228  176.124 -502.1955  355.319   2.4724  202.789   19.625   9.5781   20.491   8.9755 -0.8664627 13.12630 
1 1 1   18   32   -7 o   35.876   8.5768  394.328  179.237  320.184  200.871  683.980  397.026   30.588   9.9349   41.164   13.984 -10.57656 17.15355 
1 1 1   18   33   -7 o   20.145   6.4387 -20.5559  117.468   83.067  293.939 -40.2508  128.146   24.986   10.879   15.303   6.8910 9.683714 12.87749 
1 1 1   18   34   -7 o   23.162   7.2373 -96.1889  218.286  246.968  289.354 -549.4100  332.536   28.392   11.451   17.933   8.8536 10.45937 14.47458 
1 1 1   18   35   -7 o   31.320   8.4180  361.734  210.163  318.734  287.246  411.270  308.302   29.991   11.621   32.649   12.182 -2.658747 16.83593 
1 1 1   18   36   -7 o   29.021   6.7798  327.085  141.691  399.371  159.495   56.456  308.608   33.952   8.2214   24.090   10.783 9.862221 13.55951 
1 1 1   18   37   -7 o   19.862   8.8316   16.185  203.417   0.0000   0.0000   16.185  203.417  ?   ?    19.862   8.8316      ?      ? 
1 1 1   18   38   -7 o   19.974   5.6259   96.616   95.449  160.348  155.434   58.033  120.938   22.422   8.5853   17.526   7.2729 4.896311 11.25179 
1 1 1   18    0   -8 o   18.443   11.917  -2.5773  296.890  -2.5773  296.890   0.0000   0.0000   18.443   11.917   18.443   11.917 -0.000000 0.000000 
1 1 1   18    1   -8 o   34.245   10.827  342.535  239.768  342.535  239.768   0.0000   0.0000   34.245   10.827  ?   ?       ?      ? 
1 1 1   18    2   -8 o   43.719   6.9987  509.906  184.443  968.956  299.381  229.079  234.160   57.463   9.0208   29.975   10.703 27.48872 13.99736 
1 1 1   18    3   -8 o   16.727   8.0531 -344.8154  229.901   0.0000   0.0000 -344.8154  229.901  ?   ?    16.727   8.0531      ?      ? 
1 1 1   18    4   -8 o   62.858   5.4966  1210.83  186.990  969.907  305.843  1354.65  236.299   57.469   9.2147   68.247   5.9951 -10.77774 10.99325 
1 1 1   18    5   -8 o   72.541   4.2859  1516.88  178.005  1827.94  264.645  1259.89  240.552   79.295   5.7787   65.788   6.3311 13.50790 8.571833 
1 1 1   18    6   -8 o   17.632   8.6572 -608.5667  303.720 -608.5667  303.720   0.0000   0.0000   17.632   8.6572  ?   ?       ?      ? 
1 1 1   18    7   -8 o   24.125   9.9885   49.429  227.371   0.0000   0.0000   49.429  227.371  ?   ?    24.125   9.9885      ?      ? 
1 1 1   18    8   -8 o   52.893   6.0179  825.219  177.561  1018.04  263.314  664.420  240.457   59.011   7.7260   46.775   9.2287 12.23623 12.03580 
1 1 1   18    9   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   10   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   11   -8 o   37.842   6.1082  413.295  178.650 -212.1608  274.077  875.349  235.570   20.961   9.6791   54.724   7.4535 -33.76247 12.21634 
1 1 1   18   12   -8 o   39.912   10.109  488.546  233.284   0.0000   0.0000  488.546  233.284  ?   ?    39.912   10.109      ?      ? 
1 1 1   18   13   -8 o   28.336   8.0371  108.910  201.188   34.694  270.963  200.095  300.346   25.651   10.783   31.022   11.921 -5.370226 16.07416 
1 1 1   18   14   -8 o   61.854   5.1777  1112.05  184.965   0.0000   0.0000  1112.05  184.965  ?   ?    61.854   5.1777      ?      ? 
1 1 1   18   15   -8 o   80.635   4.0479  1949.92  182.446  1600.61  279.343  2209.77  240.933   74.047   6.5320   87.223   4.7828 -13.17544 8.095769 
1 1 1   18   16   -8 o   34.932   7.7395  357.345  171.712  396.150  267.128  330.020  224.159   36.466   11.414   33.398   10.456 3.067631 15.47908 
1 1 1   18   17   -8 o   76.691   4.4377  1707.99  196.558   0.0000   0.0000  1707.99  196.558  ?   ?    76.691   4.4377      ?      ? 
1 1 1   18   18   -8 o   72.446   4.2717  1520.40  175.454  1595.40  278.697  1471.15  225.822   73.846   6.5346   71.046   5.5035 2.800087 8.543395 
1 1 1   18   19   -8 o   92.973   3.7863  2296.79  192.129  3253.12  349.013  1880.97  230.138  105.566   5.7244   80.380   4.9574 25.18556 7.572630 
1 1 1   18   20   -8 o   27.648   7.3461  132.663  152.580  307.629  273.039   53.214  183.989   33.288   11.585   22.007   9.0354 11.28108 14.69213 
1 1 1   18   21   -8 o   79.401   5.1245  1725.82  225.488  1222.97  281.550  2625.27  376.552   64.347   7.5761   94.456   6.9026 -30.10940 10.24903 
1 1 1   18   22   -8 o   14.188   7.0386 -512.9146  219.528 -512.9146  219.528   0.0000   0.0000   14.188   7.0386  ?   ?       ?      ? 
1 1 1   18   23   -8 o   17.446   8.2503 -240.2628  219.669 -240.2628  219.669   0.0000   0.0000   17.446   8.2503  ?   ?       ?      ? 
1 1 1   18   24   -8 o   66.503   4.6124  1353.20  165.564  1168.32  278.707  1454.02  205.814   62.557   7.7141   70.448   5.0585 -7.891083 9.224739 
1 1 1   18   25   -8 o   68.176   5.5853  1369.49  219.920  1369.49  219.920   0.0000   0.0000   68.176   5.5853  ?   ?       ?      ? 
1 1 1   18   26   -8 f   34.565   8.2084  275.085  190.328  638.951  347.061  118.592  227.606   43.737   12.875   25.393   10.186 18.34467 16.41684 
1 1 1   18   27   -8 o   88.792   4.3182  2326.12  193.855  2299.85  224.906  2402.05  382.351   88.499   4.4002   89.086   7.4314 -0.5865631 8.636395 
1 1 1   18   28   -8 o   13.443   6.6282 -374.4480  184.259 -374.4480  184.259   0.0000   0.0000   13.443   6.6282  ?   ?       ?      ? 
1 1 1   18   29   -8 o   26.189   7.1142  176.815  151.288  167.052  211.836  186.979  216.136   25.804   9.9853   26.574   10.136 -0.7694778 14.22833 
1 1 1   18   30   -8 o   27.094   7.6436  175.989  189.561  297.086  213.260 -279.8254  413.749   30.184   10.249   24.005   11.343 6.179289 15.28728 
1 1 1   18   31   -8 o   21.289   5.9563   59.488  110.049  210.784  182.082 -27.5866  138.133   26.201   9.4291   16.377   7.2801 9.824268 11.91252 
1 1 1   18   32   -8 o   60.193   7.2205  1325.45  229.288  1807.48  312.984  767.099  336.854   75.724   7.1565   44.661   12.543 31.06281 14.44095 
1 1 1   18   33   -8 o   44.327   5.2977  598.556  135.627   0.0000   0.0000  598.556  135.627  ?   ?    44.327   5.2977      ?      ? 
1 1 1   18   34   -8 o   20.150   6.5611 -81.5292  154.836   41.058  296.452 -127.5150  181.570   23.943   10.653   16.358   7.6620 7.584160 13.12223 
1 1 1   18   35   -8 o   30.291   10.064  333.224  205.699   0.0000   0.0000  333.224  205.699  ?   ?    30.291   10.064      ?      ? 
1 1 1   18   36   -8 f   10.727   5.2854 -223.8209  116.526   0.0000   0.0000 -223.8209  116.526  ?   ?    10.727   5.2854      ?      ? 
1 1 1   18   37   -8 o   17.574   8.2189 -104.9470  207.583   0.0000   0.0000 -104.9470  207.583  ?   ?    17.574   8.2189      ?      ? 
1 1 1   18   38   -8 o   17.013   5.5451 -56.0188  126.566   1.0595  158.931 -154.9720  209.261   17.406   7.7683   16.619   7.9149 0.7869473 11.09022 
1 1 1   18    0   -9 o  ?   ?  -1120.0310  247.193   0.0000   0.0000 -1120.0310  247.193  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   18    1   -9 o  101.158   4.6276  2967.75  270.361  2967.75  270.361   0.0000   0.0000  101.158   4.6276  ?   ?       ?      ? 
1 1 1   18    2   -9 o   43.751   6.7576  487.926  196.962   31.004  256.400  1145.73  307.641   24.971   10.493   62.532   8.5184 -37.56071 13.51515 
1 1 1   18    3   -9 o   89.487   4.9388  2323.92  255.249   0.0000   0.0000  2323.92  255.249  ?   ?    89.487   4.9388      ?      ? 
1 1 1   18    4   -9 o   27.814   6.4388 -105.6078  176.215  526.128  259.382 -647.0936  240.140   41.433   10.748   14.196   7.0932 27.23688 12.87759 
1 1 1   18    5   -9 o   46.906   6.8426  673.503  178.388  637.062  265.971  703.301  240.505   45.597   10.338   48.214   8.9671 -2.616661 13.68515 
1 1 1   18    6   -9 o   42.479   6.4964  534.726  154.324  415.547  202.840  698.523  237.798   36.899   9.4705   48.058   8.8951 -11.15896 12.99281 
1 1 1   18    7   -9 f   22.432   9.9863 -93.2108  260.869 -93.2108  260.869   0.0000   0.0000   22.432   9.9863  ?   ?       ?      ? 
1 1 1   18    8   -9 o   44.603   7.6806  584.985  200.498  371.502  264.487  873.416  307.429   35.666   11.382   53.540   10.316 -17.87350 15.36125 
1 1 1   18    9   -9 o   55.167   8.4511  892.483  269.265  892.483  269.265   0.0000   0.0000   55.167   8.4511  ?   ?       ?      ? 
1 1 1   18   10   -9 o   22.608   10.023 -81.8825  260.092 -81.8825  260.092   0.0000   0.0000   22.608   10.023  ?   ?       ?      ? 
1 1 1   18   11   -9 o   41.376   8.6823  521.049  200.858  521.049  200.858   0.0000   0.0000   41.376   8.6823  ?   ?       ?      ? 
1 1 1   18   12   -9 o   71.245   4.5736  1499.98  185.356  1331.83  277.137  1636.08  249.329   67.511   7.1078   74.978   5.7577 -7.466927 9.147238 
1 1 1   18   13   -9 o   29.065   9.9440  230.966  200.786   0.0000   0.0000  230.966  200.786  ?   ?    29.065   9.9440      ?      ? 
1 1 1   18   14   -9 o   31.695   8.6308  194.165  217.029  137.850  273.020  290.839  357.714   28.340   11.226   35.051   13.113 -6.711369 17.26167 
1 1 1   18   15   -9 o   99.919   4.3460  2913.44  250.670  2956.16  350.643  2868.78  358.491  100.687   6.0298   99.151   6.2603 1.536568 8.691976 
1 1 1   18   16   -9 o   55.147   7.3113  957.980  218.298  1073.16  279.372  777.393  349.813   60.413   8.0070   49.880   12.235 10.53241 14.62254 
1 1 1   18   17   -9 o   78.645   5.2849  1723.62  232.035  1477.52  286.705  2190.84  395.038   71.006   6.9913   86.283   7.9273 -15.27765 10.56978 
1 1 1   18   18   -9 o   80.317   5.7628  1604.46  244.840  1043.07  289.402  3018.07  459.233   59.416   8.4337  101.219   7.8557 -41.80324 11.52560 
1 1 1   18   19   -9 o   72.153   5.6397  1520.26  235.013  1520.26  235.013   0.0000   0.0000   72.153   5.6397  ?   ?       ?      ? 
1 1 1   18   20   -9 o   49.058   9.4336  740.809  257.578  740.809  257.578   0.0000   0.0000   49.058   9.4336  ?   ?       ?      ? 
1 1 1   18   21   -9 o   48.900   7.8692  708.812  222.240  708.812  222.240   0.0000   0.0000   48.900   7.8692  ?   ?       ?      ? 
1 1 1   18   22   -9 o   42.909   6.2716  198.104  280.186  1427.26  364.569 -1575.4690  437.926   68.935   9.1570   16.882   8.5722 52.05275 12.54325 
1 1 1   18   23   -9 o   84.144   5.8761  2097.10  280.800  1995.55  361.879  2250.77  445.153   81.842   7.6560   86.446   8.9162 -4.604279 11.75213 
1 1 1   18   24   -9 o  103.235   4.2736  3013.84  218.920  2893.25  249.791  3413.28  454.605   99.519   4.3460  106.951   7.3598 -7.432022 8.547169 
1 1 1   18   25   -9 f  ?   ?  -1061.3910  156.671 -1468.6740  338.417 -950.2871  176.753  ?   ?   ?   ?       ?      ? 
1 1 1   18   26   -9 o   18.100   6.4318 -724.5743  225.877 -738.3098  263.567 -686.5860  438.324   14.390   7.2245   21.810   10.643 -7.420735 12.86361 
1 1 1   18   27   -9 o   40.234   6.0191  506.630  134.934  429.361  179.028  608.256  205.314   36.629   8.6083   43.838   8.4152 -7.208885 12.03822 
1 1 1   18   28   -9 o   47.007   6.7971  766.188  148.971  616.246  321.087  807.318  168.166   42.034   12.386   51.981   5.6016 -9.947067 13.59422 
1 1 1   18   29   -9 o   33.070   8.1309  337.834  182.127  465.479  314.608  273.494  223.360   36.576   12.448   29.565   10.464 7.011089 16.26172 
1 1 1   18   30   -9 o   27.906   8.3973  140.825  235.453  157.442  308.730  117.723  364.020   27.646   11.559   28.167   12.184 -0.5203609 16.79464 
1 1 1   18   31   -9 o   60.316   6.6064  1202.15  228.863  1175.45  307.100  1235.51  343.228   59.947   8.8701   60.686   9.7928 -0.7392235 13.21283 
1 1 1   18   32   -9 o   32.255   6.8037   87.035  228.423  853.469  300.183 -967.2091  352.062   48.547   10.965   15.964   8.0576 32.58293 13.60744 
1 1 1   18   33   -9 o   20.678   6.5031 -51.4059  101.840  255.151  295.930 -92.5884  108.465   28.741   11.585   12.614   5.9127 16.12702 13.00621 
1 1 1   18   34   -9 o   25.058   7.7594   87.739  217.615  177.078  292.356 -23.2585  325.873   26.545   11.182   23.570   10.761 2.975023 15.51890 
1 1 1   18   35   -9 o   24.235   7.4771   84.078  199.287  188.987  288.732 -11.3719  275.409   26.428   11.121   22.042   9.9972 4.386417 14.95419 
1 1 1   18   36   -9 o   27.309   6.5259  217.284  130.318   69.951  165.887  454.771  210.611   19.942   8.4127   34.676   9.9788 -14.73479 13.05183 
1 1 1   18   37   -9 o   43.829   4.8903  634.211  120.690  564.210  165.466  713.789  176.424   40.774   7.2944   46.885   6.5154 -6.110817 9.780521 
1 1 1   18    0  -10 o  110.549   4.3363  3552.15  275.889   0.0000   0.0000  3552.15  275.889  110.549   4.3363  110.549   4.3363 -0.000000 0.000000 
1 1 1   18    1  -10 o   15.410   5.3944 -624.0321  179.222 -881.7217  255.551 -374.6125  251.417   13.315   6.7375   17.506   8.4265 -4.191366 10.78883 
1 1 1   18    2  -10 o  120.022   4.1887  4174.96  290.352  4174.96  290.352   0.0000   0.0000  120.022   4.1887  ?   ?       ?      ? 
1 1 1   18    3  -10 o   96.187   4.1682  2692.36  231.326  2659.55  333.494  2722.78  321.144   95.605   6.0398   96.770   5.7461 -1.164429 8.336485 
1 1 1   18    4  -10 o   79.717   4.2318  1900.56  186.389  1270.17  263.272  2534.05  263.918   65.992   6.9076   93.442   4.8904 -27.45037 8.463512 
1 1 1   18    5  -10 o   79.512   4.3788  1833.09  201.085   0.0000   0.0000  1833.09  201.085  ?   ?    79.512   4.3788      ?      ? 
1 1 1   18    6  -10 o   31.032   7.2625  185.229  179.394  503.056  259.025 -107.7508  248.693   40.529   10.850   21.535   9.6564 18.99418 14.52509 
1 1 1   18    7  -10 o   95.515   3.9380  2556.27  212.944  3387.71  337.510  2006.43  274.467  107.969   5.4126   83.061   5.7215 24.90788 7.875982 
1 1 1   18    8  -10 o   62.299   6.8934  1119.96  244.785  1000.14  316.475  1298.40  386.199   58.284   9.4017   66.313   10.084 -8.028992 13.78677 
1 1 1   18    9  -10 o   79.349   5.1963  1669.68  225.750  1139.62  277.491  2707.12  388.212   62.404   7.6993   96.294   6.9805 -33.88970 10.39264 
1 1 1   18   10  -10 o   54.650   6.7163  871.458  211.984   0.0000   0.0000  871.458  211.984  ?   ?    54.650   6.7163      ?      ? 
1 1 1   18   11  -10 o   47.121   6.8914  661.057  167.359  684.335  317.888  652.131  196.849   47.013   11.742   47.228   7.2168 -0.2158203 13.78283 
1 1 1   18   12  -10 o   94.966   4.3683  2659.20  230.146  2744.77  290.572  2515.15  377.002   97.172   5.1776   92.760   7.0372 4.412025 8.736696 
1 1 1   18   13  -10 o   65.535   5.5281  1249.99  209.235   0.0000   0.0000  1249.99  209.235  ?   ?    65.535   5.5281      ?      ? 
1 1 1   18   14  -10 o   38.995   6.4622  472.460  145.924  319.600  208.780  618.455  204.037   32.765   10.064   45.226   8.1094 -12.46122 12.92441 
1 1 1   18   15  -10 o   68.488   3.9635  1370.80  155.066  1337.17  235.802  1396.42  205.834   67.698   6.0310   69.278   5.1444 -1.580612 7.926994 
1 1 1   18   16  -10 o   28.407   8.5854 -35.8302  264.370  183.062  343.107 -355.6787  414.750   31.762   12.583   25.052   11.683 6.710472 17.17076 
1 1 1   18   17  -10 o   61.690   5.6234  1110.25  200.356   0.0000   0.0000  1110.25  200.356  ?   ?    61.690   5.6234      ?      ? 
1 1 1   18   18  -10 o   68.327   5.4717  1299.87  181.460  1521.95  392.038  1239.32  204.708   71.479   9.4964   65.175   5.4384 6.304543 10.94342 
1 1 1   18   19  -10 o   32.807   10.515  319.238  225.569  319.238  225.569   0.0000   0.0000   32.807   10.515  ?   ?       ?      ? 
1 1 1   18   20  -10 o   96.209   3.9157  2391.01  202.564  3674.43  381.948  1888.78  238.933  111.988   5.9054   80.431   5.1436 31.55730 7.831367 
1 1 1   18   21  -10 o   51.720   8.8704  850.523  266.912  608.829  365.888  1125.44  390.227   43.773   13.299   59.667   11.742 -15.89480 17.74086 
1 1 1   18   22  -10 o   50.871   7.4001  768.701  217.417  768.701  217.417   0.0000   0.0000   50.871   7.4001  ?   ?       ?      ? 
1 1 1   18   23  -10 o   67.814   5.4697  1516.53  165.946  1142.31  353.976  1621.94  187.870   61.102   10.031   74.525   4.3648 -13.42376 10.93932 
1 1 1   18   24  -10 o   13.367   6.5952 -387.6381  183.531 -387.6381  183.531   0.0000   0.0000   13.367   6.5952  ?   ?       ?      ? 
1 1 1   18   25  -10 o   80.364   5.8697  2040.16  260.048  2363.83  341.649  1594.36  400.957   88.970   6.6489   71.757   9.6749 17.21264 11.73932 
1 1 1   18   26  -10 o   77.005   5.7240  1802.19  251.304  1749.13  328.310  1877.27  390.528   75.953   7.4844   78.057   8.6627 -2.104401 11.44809 
1 1 1   18   27  -10 o   57.966   5.8651  1056.88  168.583  1030.99  319.431  1066.88  198.475   56.164   10.224   59.768   5.7498 -3.603394 11.73015 
1 1 1   18   28  -10 o   23.276   6.8156   93.001  144.196 -148.2813  310.972  159.090  162.751   22.438   10.343   24.114   8.8788 -1.676664 13.63127 
1 1 1   18   29  -10 o   15.488   5.5219 -447.4510  139.665 -266.2099  305.060 -495.5148  157.096   20.349   9.6524   10.628   5.3663 9.721647 11.04380 
1 1 1   18   30  -10 o   14.237   7.0672 -476.3700  222.699   0.0000   0.0000 -476.3700  222.699  ?   ?    14.237   7.0672      ?      ? 
1 1 1   18   31  -10 o   40.273   8.0749  632.634  229.909  930.686  299.336  203.870  359.024   51.455   10.430   29.092   12.330 22.36350 16.14973 
1 1 1   18   32  -10 o   39.525   8.6951  615.539  222.452  685.715  299.226  528.833  332.605   42.426   11.789   36.623   12.784 5.803333 17.39012 
1 1 1   18   33  -10 o   37.381   6.4370  461.453   94.907  501.010  296.299  456.930  100.185   35.779   12.081   38.982   4.4499 -3.203175 12.87409 
1 1 1   18   34  -10 o   49.374   5.8118  733.899  134.861  987.825  295.846  667.293  151.520   52.314   10.158   46.434   5.6500 5.880089 11.62356 
1 1 1   18   35  -10 o   22.802   6.7608  171.416   95.412   0.0000   0.0000  171.416   95.412  ?   ?    22.802   6.7608      ?      ? 
1 1 1   18   36  -10 o   26.988   8.7116  260.396  154.615   0.0000   0.0000  260.396  154.615  ?   ?    26.988   8.7116      ?      ? 
1 1 1   18   37  -10 o   21.734   5.9913  134.515  113.920   41.555  166.765  215.849  155.989   18.824   8.1947   24.644   8.7423 -5.820171 11.98256 
1 1 1   18    0  -11 o  ?   ?  -1356.6949  321.570 -1356.6949  321.570   0.0000   0.0000  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   18    1  -11 o  138.374   2.9353  5643.94  229.780  6146.81  304.859  4982.50  349.640  145.693   3.6231  131.056   4.6193 14.63701 5.870683 
1 1 1   18    2  -11 o   41.985   6.8135  569.429  172.533  250.932  265.126  803.382  227.230   31.540   11.375   52.429   7.5043 -20.88890 13.62707 
1 1 1   18    3  -11 o   71.168   5.8274  1544.49  227.679  1030.86  329.008  2016.50  315.396   59.158   9.6295   83.178   6.5654 -24.01966 11.65472 
1 1 1   18    4  -11 o   68.131   5.2913  1361.32  206.133  1391.64  274.723  1322.25  311.819   69.064   6.8874   67.197   8.0347 1.867622 10.58265 
1 1 1   18    5  -11 o   56.824   5.1505  905.347  165.461  1151.22  269.289  756.220  209.719   62.759   7.4294   50.889   7.1355 11.87023 10.30107 
1 1 1   18    6  -11 o   58.927   7.1504  998.033  224.921  913.222  272.613  1178.85  398.053   55.791   8.4604   62.063   11.530 -6.271034 14.30076 
1 1 1   18    7  -11 o  141.458   2.7603  5871.80  206.146  5615.56  373.557  5984.00  247.194  139.109   4.6496  143.808   2.9763 -4.698608 5.520597 
1 1 1   18    8  -11 o   31.710   8.0274  204.793  220.561  458.848  270.667 -297.3340  380.520   38.882   11.348   24.537   11.357 14.34420 16.05471 
1 1 1   18    9  -11 o   22.923   10.809 -396.1390  372.208   0.0000   0.0000 -396.1390  372.208  ?   ?    22.923   10.809      ?      ? 
1 1 1   18   10  -11 o   84.383   4.0852  2064.57  199.093   0.0000   0.0000  2064.57  199.093  ?   ?    84.383   4.0852      ?      ? 
1 1 1   18   11  -11 f   62.885   5.7853  1151.60  210.116   0.0000   0.0000  1151.60  210.116  ?   ?    62.885   5.7853      ?      ? 
1 1 1   18   12  -11 o  167.442   2.9831  8137.35  288.355  8374.55  406.489  7897.06  409.115  169.913   4.1423  164.970   4.2939 4.942642 5.966247 
1 1 1   18   13  -11 o   17.761   6.2647 -825.2529  225.739 -1027.7430  285.159 -485.3571  369.452   13.786   6.9913   21.737   10.398 -7.951042 12.52946 
1 1 1   18   14  -11 o   14.333   5.1524 -727.7883  174.562 -1163.4130  363.243 -596.9724  199.054   16.259   8.2040   12.407   6.2358 3.852324 10.30490 
1 1 1   18   15  -11 o   22.783   7.2876 -114.0553  194.820 -28.5477  229.988 -331.2929  366.581   22.180   9.6396   23.386   10.932 -1.206741 14.57528 
1 1 1   18   16  -11 o   20.260   9.8413 -598.5796  362.978   0.0000   0.0000 -598.5796  362.978  ?   ?    20.260   9.8413      ?      ? 
1 1 1   18   17  -11 o   86.723   4.6014  2187.90  230.464   0.0000   0.0000  2187.90  230.464  ?   ?    86.723   4.6014      ?      ? 
1 1 1   18   18  -11 o   55.611   7.0702  865.770  198.979  1124.55  394.109  777.239  230.516   59.927   11.807   51.294   7.7813 8.633495 14.14039 
1 1 1   18   19  -11 o   49.526   6.0076  690.221  162.259  929.298  281.465  571.222  198.577   55.853   8.7255   43.199   8.2602 12.65376 12.01524 
1 1 1   18   20  -11 o   60.599   5.9241  943.928  189.510  1511.12  373.121  746.745  219.999   71.004   9.0987   50.194   7.5890 20.81034 11.84819 
1 1 1   18   21  -11 o   39.493   8.1712  532.682  194.171  616.615  220.156  238.759  411.985   44.613   8.8570   34.374   13.734 10.23843 16.34233 
1 1 1   18   22  -11 o   96.051   5.6265  2892.10  290.920  3215.87  365.765  2334.57  479.970  104.428   6.0645   87.673   9.4790 16.75532 11.25301 
1 1 1   18   23  -11 o   43.858   7.7149  601.365  176.590  647.900  350.191  585.496  204.493   44.353   12.898   43.362   8.4693 0.9904861 15.42970 
1 1 1   18   24  -11 o   22.149   9.0443   70.292  183.098   0.0000   0.0000   70.292  183.098  ?   ?    22.149   9.0443      ?      ? 
1 1 1   18   25  -11 o   15.556   7.2270 -124.1272  156.284   0.0000   0.0000 -124.1272  156.284  ?   ?    15.556   7.2270      ?      ? 
1 1 1   18   26  -11 o   30.095   7.5355  126.104  141.693  573.052  330.099   25.154  156.880   40.899   12.670   19.292   8.1621 21.60743 15.07105 
1 1 1   18   27  -11 o   30.325   8.0386  295.279  143.065   0.0000   0.0000  295.279  143.065  ?   ?    30.325   8.0386      ?      ? 
1 1 1   18   28  -11 o   16.913   5.9019 -553.9299  207.938 -665.2192  315.492 -468.4558  276.490   16.884   8.3866   16.941   8.3062 -0.5666161E-01 11.80375 
1 1 1   18   29  -11 o   15.111   5.4645 -468.2334  127.701 -240.9242  310.392 -514.5481  140.107   20.755   9.8127   9.4682   4.8117 11.28652 10.92896 
1 1 1   18   30  -11 o   19.713   7.0116  110.687  100.403   0.0000   0.0000  110.687  100.403  ?   ?    19.713   7.0116      ?      ? 
1 1 1   18   31  -11 o   37.902   7.2582  452.317  140.182  651.442  306.246  399.535  157.670   41.231   12.082   34.572   8.0474 6.659569 14.51647 
1 1 1   18   32  -11 o   42.051   8.7049  675.785  224.827  873.015  348.878  535.705  294.020   46.993   12.597   37.108   12.017 9.884884 17.40984 
1 1 1   18   33  -11 o   15.189   7.0725 -99.6173  151.018   0.0000   0.0000 -99.6173  151.018  ?   ?    15.189   7.0725      ?      ? 
1 1 1   18   34  -11 f   22.615   7.1036   53.869  156.222   83.828  342.806   46.017  175.506   25.430   11.375   19.799   8.5123 5.630829 14.20723 
1 1 1   18   35  -11 o   31.070   7.0443  388.485  142.796  182.986  340.884  432.220  157.259   26.721   11.672   35.419   7.8898 -8.698442 14.08861 
1 1 1   18   36  -11 o   18.343   6.1158 -72.7274  145.815 -306.9903  336.602 -18.6104  161.783   19.484   9.4673   17.202   7.7447 2.282722 12.23152 
1 1 1   18    0  -12 o   87.974   4.8914  2011.97  229.023  3297.86  419.107  1464.51  273.463  105.916   6.9191   70.031   6.9160 -0.000000 0.000000 
1 1 1   18    1  -12 o   45.171   8.0195  638.019  206.237  681.947  262.899  567.733  332.551   47.225   9.9528   43.116   12.577 4.109421 16.03894 
1 1 1   18    2  -12 o   57.929   6.2070  968.713  205.520  870.680  268.130  1108.34  319.997   54.466   8.5238   61.392   9.0251 -6.925694 12.41403 
1 1 1   18    3  -12 f   42.671   8.1317  555.652  199.672  565.384  331.925  550.133  249.956   43.027   12.570   42.316   10.320 0.7103195 16.26338 
1 1 1   18    4  -12 o  133.843   2.6742  5212.98  204.238  5032.38  311.042  5349.87  270.794  131.759   4.0875  135.926   3.4495 -4.167313 5.348461 
1 1 1   18    5  -12 o   99.511   2.9087  2871.34  165.021  2874.55  216.802  2866.92  254.441   99.608   3.7686   99.413   4.4316 0.1946564 5.817333 
1 1 1   18    6  -12 o   37.456   8.4088  363.316  213.387  169.402  278.539  638.814  332.002   29.450   11.435   45.463   12.332 -16.01302 16.81767 
1 1 1   18    7  -12 o   86.050   3.4854  2159.62  172.091  2241.64  233.236  2061.60  254.958   87.884   4.5952   84.217   5.2419 3.666969 6.970845 
1 1 1   18    8  -12 o  103.015   4.5877  3096.46  272.901  3076.60  388.781  3115.75  383.163  102.678   6.5560  103.352   6.4192 -0.6736069 9.175369 
1 1 1   18    9  -12 o   95.916   3.9217  2684.32  216.324  2766.26  295.479  2589.68  317.571   97.536   5.2453   94.295   5.8313 3.241020 7.843317 
1 1 1   18   10  -12 o   30.259   8.3232   89.572  194.893 -22.2895  227.890  394.139  376.033   22.271   9.6372   38.248   13.573 -15.97670 16.64637 
1 1 1   18   11  -12 f  108.518   4.1440  3416.42  259.722   0.0000   0.0000  3416.42  259.722  ?   ?   108.518   4.1440      ?      ? 
1 1 1   18   12  -12 o   21.727   7.2668 -407.6205  227.906 -536.7413  285.190 -179.4451  379.115   17.375   8.5015   26.079   11.788 -8.703533 14.53365 
1 1 1   18   13  -12 o   24.050   7.3225  -8.4219  182.257 -20.6698  282.020   0.3621  238.831   24.797   10.726   23.302   9.9717 1.495079 14.64495 
1 1 1   18   14  -12 o   61.524   4.4073  1113.26  153.689  1145.26  200.753  1067.94  238.886   62.676   5.5460   60.372   6.8512 2.303291 8.814577 
1 1 1   18   15  -12 o   36.458   8.2841  418.692  202.955   81.651  409.666  528.321  233.643   31.608   13.271   41.308   9.9185 -9.699873 16.56819 
1 1 1   18   16  -12 o   21.227   6.9661 -347.7195  223.607 -40.3004  280.540 -883.2360  370.268   24.236   10.588   18.219   9.0557 6.017218 13.93216 
1 1 1   18   17  -12 o   28.900   8.4471  100.318  223.515  112.079  281.274   80.166  368.188   27.731   11.253   30.069   12.601 -2.338114 16.89418 
1 1 1   18   18  -12 o   55.778   5.1200  949.592  158.886  752.976  242.212  1098.10  210.507   50.340   8.3309   61.215   5.9542 -10.87446 10.23995 
1 1 1   18   19  -12 o   25.866   7.3666   99.927  170.545   40.459  239.655  160.940  242.749   24.128   10.142   27.604   10.687 -3.476404 14.73310 
1 1 1   18   20  -12 o   69.217   5.9215  1377.65  232.089  1791.16  372.175  1114.52  296.888   77.402   8.3255   61.032   8.4227 16.37049 11.84293 
1 1 1   18   21  -12 o   32.433   6.5119  375.543  104.687 -34.2226  364.799  412.318  109.284   27.350   12.008   37.516   5.0438 -10.16521 13.02384 
1 1 1   18   22  -12 o   92.500   3.7936  2378.05  174.166  2794.40  364.721  2255.07  198.228   97.060   6.5063   87.940   3.9029 9.119514 7.587193 
1 1 1   18   23  -12 o   30.140   7.6550  139.088  125.829  516.260  348.293   82.470  134.943   39.921   13.088   20.360   7.9441 19.56138 15.31010 
1 1 1   18   24  -12 o  ?   ?  -526.4441  121.025   0.0000   0.0000 -526.4441  121.025  ?   ?   ?   ?       ?      ? 
1 1 1   18   25  -12 o   16.009   7.0146 -19.1265  123.962   0.0000   0.0000 -19.1265  123.962  ?   ?    16.009   7.0146      ?      ? 
1 1 1   18   26  -12 o   14.806   5.3974 -320.9967  103.971 -364.9710  326.390 -316.0305  109.685   20.328   9.7366   9.2838   4.6610 11.04428 10.79476 
1 1 1   18   27  -12 o   23.990   6.9659  118.275  131.016   1.8379  320.955  141.557  143.518   25.207   11.156   22.773   8.3448 2.433691 13.93179 
1 1 1   18   28  -12 o   41.489   6.5158  527.913  156.130   0.0000   0.0000  527.913  156.130  ?   ?    41.489   6.5158      ?      ? 
1 1 1   18   29  -12 o   44.857   5.9336  614.740  153.722   0.0000   0.0000  614.740  153.722  ?   ?    44.857   5.9336      ?      ? 
1 1 1   18   30  -12 o   31.771   7.4350  235.382  136.983  647.670  310.176  135.486  152.679   41.174   12.186   22.367   8.5221 18.80701 14.86999 
1 1 1   18   31  -12 o   19.238   8.2337   35.423  162.874   0.0000   0.0000   35.423  162.874  ?   ?    19.238   8.2337      ?      ? 
1 1 1   18   32  -12 o   25.360   7.7687   99.273  213.602 -14.9477  304.293  210.228  299.912   23.169   10.508   27.551   11.445 -4.382113 15.53737 
1 1 1   18   33  -12 o   51.421   5.5838  817.594  165.826   0.0000   0.0000  817.594  165.826  ?   ?    51.421   5.5838      ?      ? 
1 1 1   18   34  -12 o   32.351   7.5165  318.220  140.876  623.059  302.348  233.686  159.215   38.695   12.148   26.008   8.8552 12.68673 15.03299 
1 1 1   18   35  -12 o   26.447   7.2777  196.674  132.975  389.526  299.224  149.214  148.438   30.815   11.883   22.079   8.4051 8.736555 14.55538 
1 1 1   18   36  -12 o   19.041   6.2373 -81.3525  170.047 -360.4508  296.371   55.620  207.622   17.534   8.5976   20.547   9.0388 -3.013115 12.47467 
1 1 1   18    0  -13 o   98.934   4.3434  2615.93  233.527  3776.69  418.428  2090.81  281.435  113.545   6.4278   84.322   5.8434 -0.000000 0.000000 
1 1 1   18    1  -13 o   30.611   7.7249  231.053  171.542  174.153  224.857  310.279  265.329   27.747   10.393   33.476   11.431 -5.728970 15.44973 
1 1 1   18    2  -13 o   67.249   5.5722  1234.06  176.154  1173.32  196.107  1487.77  400.828   63.526   5.3451   70.971   9.7789 -7.444946 11.14437 
1 1 1   18    3  -13 o  129.197   3.2057  4750.36  214.354  5055.62  412.323  4637.31  250.927  131.851   5.4147  126.544   3.4334 5.307083 6.411443 
1 1 1   18    4  -13 o   30.072   8.5757  137.597  227.082  218.738  277.771 -25.9042  394.302   30.846   11.552   29.298   12.677 1.548077 17.15131 
1 1 1   18    5  -13 o  138.006   2.3008  5509.47  182.460  5468.08  245.547  5560.52  272.650  137.445   3.0933  138.567   3.4069 -1.122131 4.601693 
1 1 1   18    6  -13 o   18.396   6.2120 -350.3405  186.011 -455.7795  276.915 -263.6472  251.095   17.832   8.6465   18.960   8.9216 -1.127962 12.42404 
1 1 1   18    7  -13 o   43.456   8.2975  530.134  193.612  464.047  224.977  718.824  380.150   38.865   9.9733   48.048   13.264 -9.183445 16.59510 
1 1 1   18    8  -13 o  120.774   3.5876  4233.01  249.371  4329.33  370.178  4152.98  337.422  122.000   5.2537  119.548   4.8870 2.452408 7.175279 
1 1 1   18    9  -13 o   20.637   6.5172 -179.1757  167.355 -374.4624  226.444   55.877  248.432   16.123   7.8182   25.150   10.429 -9.026945 13.03434 
1 1 1   18   10  -13 o   85.959   3.3331  2164.58  162.573  2250.83  213.519  2045.60  250.773   88.069   4.1979   83.850   5.1784 4.218796 6.666168 
1 1 1   18   11  -13 o   32.515   8.1176  282.357  184.421  292.948  227.650  262.134  314.561   31.984   10.586   33.046   12.310 -1.062136 16.23527 
1 1 1   18   12  -13 o   43.786   8.9051  604.265  239.892  472.829  370.778  698.898  314.615   40.247   13.514   47.325   11.600 -7.078930 17.81027 
1 1 1   18   13  -13 o   32.479   7.7130  299.991  170.896  319.739  243.669  280.875  239.745   33.224   10.950   31.733   10.866 1.491219 15.42604 
1 1 1   18   14  -13 o   56.563   8.3087  945.668  271.426  945.668  271.426   0.0000   0.0000   56.563   8.3087  ?   ?       ?      ? 
1 1 1   18   15  -13 o  119.084   2.4331  4103.92  167.343   0.0000   0.0000  4103.92  167.343  ?   ?   119.084   2.4331      ?      ? 
1 1 1   18   16  -13 o   36.823   6.8665  392.373  140.795  517.015  250.057  334.516  170.367   40.684   10.553   32.962   8.7886 7.721561 13.73310 
1 1 1   18   17  -13 o   89.133   3.6572  2307.27  188.267   0.0000   0.0000  2307.27  188.267  ?   ?    89.133   3.6572      ?      ? 
1 1 1   18   18  -13 o   59.576   6.5597  1045.44  225.704   0.0000   0.0000  1045.44  225.704  ?   ?    59.576   6.5597      ?      ? 
1 1 1   18   19  -13 o   66.736   3.8811  1296.06  149.588   0.0000   0.0000  1296.06  149.588  ?   ?    66.736   3.8811      ?      ? 
1 1 1   18   20  -13 o   20.586   6.8468 -133.7163  125.006 -30.8893  369.148 -147.0350  132.855   27.561   12.090   13.611   6.4304 13.95009 13.69359 
1 1 1   18   21  -13 o   13.036   6.4988 -495.5796  196.632   0.0000   0.0000 -495.5796  196.632  ?   ?    13.036   6.4988      ?      ? 
1 1 1   18   22  -13 o  107.955   3.7783  3400.14  235.572   0.0000   0.0000  3400.14  235.572  ?   ?   107.955   3.7783      ?      ? 
1 1 1   18   23  -13 o   38.047   6.9594  446.594  147.289   0.0000   0.0000  446.594  147.289  ?   ?    38.047   6.9594      ?      ? 
1 1 1   18   24  -13 o   17.920   8.2931 -140.4174  202.856   0.0000   0.0000 -140.4174  202.856  ?   ?    17.920   8.2931      ?      ? 
1 1 1   18   25  -13 o   43.593   6.9749  688.524  138.377  477.845  338.173  730.894  151.655   37.620   12.905   49.567   5.2976 -11.94671 13.94972 
1 1 1   18   26  -13 o   53.183   6.8704  962.804  186.520  818.566  332.750  1028.89  225.230   48.276   11.989   58.089   6.7134 -9.813622 13.74071 
1 1 1   18   27  -13 o   20.253   7.9431   90.220  135.435   0.0000   0.0000   90.220  135.435  ?   ?    20.253   7.9431      ?      ? 
1 1 1   18   28  -13 o   24.772   6.9186  129.911  119.775  246.423  275.785  102.825  132.971   28.991   11.344   20.552   7.9228 8.439316 13.83718 
1 1 1   18   29  -13 o   22.633   6.0697   25.486  118.161  327.890  205.938 -122.9290  144.272   30.805   10.062   14.460   6.7911 16.34417 12.13939 
1 1 1   18   30  -13 o   15.421   5.5526 -415.2216  126.592 -193.1414  315.279 -457.9072  138.223   21.103   9.9504   9.7388   4.9310 11.36400 11.10516 
1 1 1   18   31  -13 o   18.081   5.7232 -34.4415  125.543 -144.8574  200.364   36.926  161.084   17.018   7.9957   19.144   8.1907 -2.125914 11.44638 
1 1 1   18   32  -13 o   24.150   7.1869  132.929  136.576  138.230  147.976  102.452  354.832   22.047   8.3923   26.254   11.669 -4.206793 14.37374 
1 1 1   18   33  -13 o   27.225   7.2457  235.076  123.327  235.716  131.595  230.452  353.513   26.259   7.9751   28.191   12.100 -1.931931 14.49139 
1 1 1   18   34  -13 o   49.526   5.6261  830.755  155.495  693.933  215.268  980.028  224.850   44.346   8.7159   54.706   7.1166 -10.36002 11.25224 
1 1 1   18   35  -13 o   16.203   5.2267 -62.3429  111.618 -155.6635  160.039   26.045  155.752   14.357   6.8607   18.050   7.8870 -3.693099 10.45339 
1 1 1   18    0  -14 o   51.627   7.0738  887.898  179.441  1037.83  240.904  701.040  268.941   58.372   7.4828   44.882   12.007 -0.000000 0.000000 
1 1 1   18    1  -14 o  108.783   2.7268  3490.33  161.098  3248.41  275.007  3616.71  198.774  105.788   4.5012  111.777   3.0791 -5.989525 5.453535 
1 1 1   18    2  -14 o   55.892   5.4229  922.906  171.892  957.677  225.445  874.623  265.659   57.247   6.8187   54.538   8.4341 2.709057 10.84574 
1 1 1   18    3  -14 o   18.049   6.0762 -278.3835  143.705 -117.8077  283.689 -333.8103  166.672   23.002   10.314   13.096   6.4268 9.905686 12.15242 
1 1 1   18    4  -14 o  115.150   4.3207  3878.00  285.455  3756.75  425.015  3977.65  385.290  113.434   6.4875  116.866   5.7084 -3.431580 8.641365 
1 1 1   18    5  -14 o   72.024   5.3615  1515.87  219.378  1493.07  284.720  1549.18  344.159   71.454   6.8994   72.595   8.2085 -1.141670 10.72292 
1 1 1   18    6  -14 o  123.309   2.9924  4418.73  207.401  4383.18  333.427  4441.17  264.881  122.834   4.7000  123.783   3.7051 -0.9496841 5.984814 
1 1 1   18    7  -14 o   66.745   6.6102  1305.56  253.590  1188.85  339.276  1453.31  381.726   63.410   9.2642   70.080   9.4314 -6.669395 13.22031 
1 1 1   18    8  -14 o   53.472   6.1898  840.095  185.207  1025.59  282.734  700.675  245.119   59.016   8.2951   47.929   9.1896 11.08793 12.37968 
1 1 1   18    9  -14 f   87.877   3.2503  2244.03  164.953  2218.25  233.448  2269.73  233.111   87.369   4.6264   88.384   4.5667 -1.015083 6.500667 
1 1 1   18   10  -14 o   59.255   5.9302  878.546  179.515  1405.11  377.243  724.405  204.106   68.810   9.4927   49.701   7.1106 19.10835 11.86046 
1 1 1   18   11  -14 o   87.413   4.8122  2184.75  215.626  2359.24  422.036  2123.11  250.836   89.435   8.1707   85.391   5.0862 4.043518 9.624388 
1 1 1   18   12  -14 o   26.178   7.6949   72.991  179.041   36.598  331.052   88.036  212.855   27.937   11.840   24.419   9.8310 3.517538 15.38971 
1 1 1   18   13  -14 f   23.289   6.8686 -64.1258  152.912  214.337  271.273 -193.8088  185.125   30.297   11.403   16.282   7.6611 14.01499 13.73725 
1 1 1   18   14  -14 o   57.637   6.1632  978.400  151.214  1038.33  361.987  965.731  166.431   57.716   11.264   57.557   5.0067 0.1593475 12.32641 
1 1 1   18   15  -14 o   57.250   6.0677  963.969  188.793  1386.32  290.406  654.808  248.462   68.542   7.3361   45.959   9.6670 22.58332 12.13546 
1 1 1   18   16  -14 o  114.415   3.1279  3774.96  190.954  3911.80  346.359  3715.20  228.880  115.708   5.1829  113.122   3.5033 2.586449 6.255874 
1 1 1   18   17  -14 o   37.826   6.7193  445.799  145.868  459.249  219.589  435.177  195.146   38.286   9.8685   37.367   9.1220 0.9181671 13.43867 
1 1 1   18   18  -14 o   39.510   8.2044  482.622  181.092   0.0000   0.0000  482.622  181.092  ?   ?    39.510   8.2044      ?      ? 
1 1 1   18   19  -14 o   62.500   4.0588  1132.98  144.577  1250.81  227.421  1053.06  187.297   65.123   6.0466   59.878   5.4160 5.245495 8.117534 
1 1 1   18   20  -14 f  107.731   3.6855  3365.42  223.091  3223.24  281.827  3604.02  365.094  104.915   4.6512  110.547   5.7184 -5.632507 7.371086 
1 1 1   18   21  -14 o   31.877   7.8593  299.845  178.752  250.116  265.189  341.255  241.989   30.524   11.316   33.229   10.910 -2.704983 15.71859 
1 1 1   18   22  -14 o   64.969   4.1426  1213.18  141.837  1158.12  167.464  1352.90  266.786   62.781   4.6186   67.156   6.8785 -4.374397 8.285242 
1 1 1   18   23  -14 o   53.362   4.8216  871.948  142.084  804.378  232.487  912.231  179.510   51.326   7.8429   55.397   5.6106 -4.071640 9.643164 
1 1 1   18   24  -14 o   57.734   4.1213  984.284  135.734  1080.04  212.539  918.336  176.388   59.964   6.1371   55.504   5.5025 4.460140 8.242701 
1 1 1   18   25  -14 o   16.289   5.4929 -220.3180  141.353 -274.5879  223.835 -184.3188  182.303   16.731   8.0267   15.846   7.5006 0.8844004 10.98573 
1 1 1   18   26  -14 o   41.607   7.6209  602.185  183.495  613.392  241.393  586.847  282.410   42.513   9.9990   40.700   11.504 1.812950 15.24189 
1 1 1   18   27  -14 o   12.484   4.5238 -591.8210  136.661 -738.1470  280.403 -546.2359  156.507   14.791   7.4296   10.177   5.1632 4.613538 9.047518 
1 1 1   18   28  -14 o   47.943   7.2382  751.298  184.979  987.290  327.778  641.016  224.069   52.463   11.161   43.422   9.2198 9.041458 14.47645 
1 1 1   18   29  -14 o   30.369   6.1766  329.778  120.866  416.200  153.130  186.968  196.847   35.479   7.6947   25.258   9.6639 10.22043 12.35313 
1 1 1   18   30  -14 o   12.868   4.3690 -176.5588   96.030 -92.2944  120.503 -323.1960  158.964   13.471   6.2874   12.266   6.0679 1.205282 8.737933 
1 1 1   18   31  -14 f   32.945   5.5063  368.331  109.766  222.139  156.891  508.500  153.626   25.792   8.7903   40.097   6.6339 -14.30478 11.01258 
1 1 1   18   32  -14 o   24.135   6.5442  165.145  116.005  144.996  135.011  221.978  226.747   21.924   8.0846   26.347   10.293 -4.422678 13.08838 
1 1 1   18   33  -14 o   39.551   7.3536  507.251  127.772  474.745  136.465  738.270  363.801   38.743   6.0989   40.359   13.383 -1.616287 14.70715 
1 1 1   18   34  -14 o   13.534   4.5645 -140.0220   99.143 -87.0554  126.266 -225.1786  160.101   13.726   6.4162   13.343   6.4938 0.3826647 9.128976 
1 1 1   18    0  -15 o   84.398   5.9283  2145.65  279.416  2407.35  394.574  1882.41  395.737   89.966   7.7249   78.831   8.9948 -0.000000 0.000000 
1 1 1   18    1  -15 o  ?   ?  -1636.8781  213.767   0.0000   0.0000 -1636.8781  213.767  ?   ?   ?   ?       ?      ? 
1 1 1   18    2  -15 o   14.411   5.1122 -520.7676  148.977 -528.2501  275.729 -517.6826  177.044   16.998   8.3262   11.824   5.9342 5.174630 10.22448 
1 1 1   18    3  -15 o   22.087   7.0769 -143.0972  193.972 -162.4702  288.791 -127.1734  261.823   22.424   10.196   21.749   9.8166 0.6751823 14.15382 
1 1 1   18    4  -15 o   30.987   7.6224  262.072  167.517  306.790  215.338  193.531  266.595   32.314   10.265   29.660   11.271 2.654116 15.24481 
1 1 1   18    5  -15 o   29.440   7.2852  206.380  159.090   83.294  215.631  353.418  235.679   24.451   9.8770   34.429   10.712 -9.978134 14.57048 
1 1 1   18    6  -15 o   17.606   8.5736 -696.5096  172.859 -489.1360  280.261 -823.8337  219.604   17.606   8.5736  ?   ?       ?      ? 
1 1 1   18    7  -15 o   56.313   4.6947  928.550  152.611  902.908  217.025  953.632  214.643   55.529   6.7671   57.097   6.5090 -1.567993 9.389429 
1 1 1   18    8  -15 o  102.183   2.9874  3021.27  169.900  2991.81  213.008  3072.78  281.688  101.575   3.6310  102.790   4.7450 -1.214653 5.974823 
1 1 1   18    9  -15 o   98.543   2.5232  2821.84  143.176  2725.15  208.550  2908.03  196.913   96.925   3.7256  100.161   3.4040 -3.236870 5.046476 
1 1 1   18   10  -15 o   30.483   8.4945   57.496  192.989  439.632  414.316 -48.3906  218.094   39.881   14.237   21.085   9.2699 18.79570 16.98890 
1 1 1   18   11  -15 o   69.101   5.4392  1393.45  217.073   0.0000   0.0000  1393.45  217.073  ?   ?    69.101   5.4392      ?      ? 
1 1 1   18   12  -15 o   64.416   5.7665  1387.00  163.734  1000.51  335.685  1507.66  187.558   56.852   10.614   71.981   4.5116 -15.12840 11.53295 
1 1 1   18   13  -15 o   53.334   6.0479  882.038  175.590  637.179  253.087  1109.29  243.816   45.267   9.9518   61.402   6.8753 -16.13540 12.09580 
1 1 1   18   14  -15 o   19.764   6.4762 -309.5430  182.792 -546.2951  246.146 -18.4410  272.940   15.269   7.5530   24.259   10.522 -8.990444 12.95243 
1 1 1   18   15  -15 o  127.968   2.4326  4765.94  179.346  5054.95  250.778  4463.39  256.587  131.978   3.2901  123.958   3.5841 8.020020 4.865180 
1 1 1   18   16  -15 o   62.503   4.3450  1148.08  150.716  1154.35  250.572  1144.52  188.659   62.476   6.9444   62.530   5.2240 -0.5417252E-01 8.689943 
1 1 1   18   17  -15 o   30.939   8.3572  201.381  194.253  334.502  354.056  144.053  232.346   35.279   13.076   26.598   10.411 8.680529 16.71449 
1 1 1   18   18  -15 o   41.457   5.1122  500.408  117.732  615.674  191.713  430.617  149.175   45.448   7.3038   37.466   7.1549 7.982147 10.22439 
1 1 1   18   19  -15 o   46.107   4.5012  631.247  119.387  621.659  176.028  639.414  162.464   45.724   6.6658   46.490   6.0507 -0.7665482 9.002469 
1 1 1   18   20  -15 f   35.718   6.1697  411.951  128.145  303.525  189.646  503.049  173.833   31.196   9.5931   40.240   7.7611 -9.043682 12.33942 
1 1 1   18   21  -15 o   35.623   7.7165  358.026  133.453  470.457  364.647  340.638  143.402   38.317   13.386   32.928   7.6812 5.388523 15.43291 
1 1 1   18   22  -15 f   37.693   5.7624  425.726  115.118  527.605  206.666  379.896  138.613   40.508   9.0607   34.878   7.1220 5.629143 11.52472 
1 1 1   18   23  -15 o   28.675   7.0381  249.599  142.126  242.652  212.286  255.242  191.335   28.601   10.193   28.750   9.7078 -0.1490536 14.07614 
1 1 1   18   24  -15 o   57.168   3.3850  970.330  111.502  1057.66  159.270  886.384  156.151   59.746   4.6157   54.590   4.9527 5.156013 6.770089 
1 1 1   18   25  -15 o   18.242   5.6436 -11.9051  103.776 -36.0303  123.793   45.131  190.343   15.331   6.8480   21.153   8.9724 -5.822174 11.28713 
1 1 1   18   26  -15 o   28.853   6.6955  216.555  113.421  155.163  128.890  427.256  238.780   22.802   7.9585   34.905   10.769 -12.10365 13.39090 
1 1 1   18   27  -15 o   15.835   5.4474 -281.1344  119.839 -50.7763  246.681 -352.2941  137.104   20.997   9.4981   10.673   5.3368 10.32454 10.89477 
1 1 1   18   28  -15 o   17.000   5.0901   26.667   86.491   45.072  115.574   3.2398  130.395   17.309   7.1401   16.692   7.2564 0.6168308 10.18021 
1 1 1   18   29  -15 o   11.823   4.0411 -201.0396   84.872 -82.6087  122.750 -309.5189  117.479   13.852   6.4247   9.7938   4.9037 4.057763 8.082245 
1 1 1   18   30  -15 o   13.348   4.5401 -180.2226  101.538 -157.9278  152.973 -197.7816  135.757   14.213   6.7687   12.482   6.0528 1.731516 9.080259 
1 1 1   18   31  -15 o   26.709   5.6371  247.381  100.540  131.005  153.575  334.667  133.003   21.846   8.4885   31.572   7.4196 -9.726162 11.27411 
1 1 1   18   32  -15 o   15.460   4.9212 -18.5784   85.920   2.6806  101.001 -74.2504  163.446   14.672   6.3824   16.247   7.4926 -1.574992 9.842463 
1 1 1   18   33  -15 o   12.962   6.4799 -459.1763  201.513   0.0000   0.0000 -459.1763  201.513  ?   ?    12.962   6.4799      ?      ? 
1 1 1   18   34  -15 o   20.843   5.6839  131.355   97.520  162.104  120.282   72.370  166.595   21.998   7.6876   19.688   8.3742 2.309168 11.36774 
1 1 1   18    0  -16 o   37.345   11.380  506.515  214.356  506.515  214.356   0.0000   0.0000   37.345   11.380   37.345   11.380 -0.000000 0.000000 
1 1 1   18    1  -16 o   35.627   8.2823  374.669  180.372  406.026  203.661  260.607  388.430   36.333   9.5720   34.922   13.519 1.410728 16.56463 
1 1 1   18    2  -16 o   66.378   4.8688  1290.89  182.170  1292.12  291.098  1290.09  233.558   66.299   7.6023   66.458   6.0850 -0.1589890 9.737697 
1 1 1   18    3  -16 o   24.805   7.1124   75.407  155.985   38.444  200.241  132.454  248.765   22.414   9.3345   27.197   10.734 -4.783693 14.22475 
1 1 1   18    4  -16 o   28.237   6.8871  197.399  147.196   38.955  215.166  336.781  201.809   23.140   9.6599   33.333   9.8191 -10.19356 13.77417 
1 1 1   18    5  -16 o   29.387   6.5939  213.094  151.990 -87.6367  231.400  441.283  201.568   20.942   9.3579   37.833   9.2925 -16.89112 13.18786 
1 1 1   18    6  -16 o   33.234   7.5693  330.291  165.803  234.371  275.021  385.060  207.816   31.061   11.522   35.407   9.8194 -4.346468 15.13853 
1 1 1   18    7  -16 o   44.511   7.6277  658.861  170.773  709.410  191.058  458.017  380.836   49.185   6.7258   39.836   13.693 9.349670 15.25545 
1 1 1   18    8  -16 o   54.253   4.7081  870.847  145.835  1007.92  204.666  729.466  207.855   58.702   6.0368   49.803   7.2264 8.899742 9.416137 
1 1 1   18    9  -16 o   69.729   4.2492  1409.35  166.245  1368.10  210.063  1478.48  271.958   68.476   5.3116   70.981   6.6340 -2.504913 8.498365 
1 1 1   18   10  -16 o   55.479   5.2928  908.066  169.419  905.554  244.932  910.371  234.590   55.378   7.6581   55.580   7.3081 -0.2018089 10.58558 
1 1 1   18   11  -16 o   30.664   6.7122  278.456  130.620  318.569  196.325  246.597  174.964   32.378   9.7204   28.950   9.2591 3.427822 13.42448 
1 1 1   18   12  -16 o   50.314   7.4063  734.568  183.108  693.750  208.491  872.255  382.921   48.442   7.4521   52.186   12.802 -3.743889 14.81269 
1 1 1   18   13  -16 o   78.764   4.7569  1795.57  161.560  1779.09  176.852  1878.65  397.176   78.218   3.9149   79.309   8.6711 -1.090782 9.513891 
1 1 1   18   14  -16 o   16.807   5.3484 -79.2272  111.492 -236.9520  190.178   3.3676  137.622   15.814   7.5354   17.801   7.5921 -1.986437 10.69686 
1 1 1   18   15  -16 o   13.538   4.8357 -500.7289  130.233 -378.8945  245.133 -548.6404  153.722   16.917   8.1864   10.159   5.1498 6.758035 9.671458 
1 1 1   18   16  -16 o   81.255   3.5920  1969.77  164.145  2119.96  214.553  1757.80  254.898   85.214   4.3595   77.295   5.7099 7.919327 7.183903 
1 1 1   18   17  -16 o   30.443   8.7634  287.782  162.408   0.0000   0.0000  287.782  162.408  ?   ?    30.443   8.7634      ?      ? 
1 1 1   18   18  -16 o   36.204   7.6375  409.482  175.717  540.976  255.385  291.267  242.147   40.928   10.688   31.479   10.913 9.449369 15.27499 
1 1 1   18   19  -16 o   24.747   6.6398  145.674  130.438  156.608  191.730  136.253  177.973   25.347   9.5757   24.147   9.2008 1.199532 13.27962 
1 1 1   18   20  -16 o   23.117   5.9913   75.850  124.639 -144.7296  181.423  273.017  171.525   16.680   7.7617   29.554   9.1290 -12.87392 11.98260 
1 1 1   18   21  -16 o   54.393   4.0107  886.906  125.003  779.528  179.434  988.158  174.242   51.048   6.0862   57.738   5.2252 -6.690327 8.021499 
1 1 1   18   22  -16 o   77.362   4.1595  1777.50  178.937  1734.08  223.597  1854.84  298.405   76.425   5.0658   78.299   6.5988 -1.873917 8.319033 
1 1 1   18   23  -16 o   17.038   8.5273 -380.1732   84.386 -862.2457  353.608 -351.0609   86.897   17.038   8.5273  ?   ?       ?      ? 
1 1 1   18   24  -16 o   11.220   3.9373 -325.3317   97.830 -227.0781  136.240 -429.9239  140.566   12.246   5.9668   10.195   5.1388 2.051785 7.874595 
1 1 1   18   25  -16 o   61.664   3.7617  1150.62  132.320  1175.18  175.328  1118.12  201.685   62.654   4.8453   60.674   5.7555 1.979851 7.523485 
1 1 1   18   26  -16 o   26.177   7.5184  123.863  134.579  339.415  344.084   84.933  146.227   32.056   12.632   20.299   8.1567 11.75716 15.03688 
1 1 1   18   27  -16 o   19.955   5.4191   98.792   89.000   59.668  132.903  130.602  119.839   18.713   7.6807   21.196   7.6468 -2.482374 10.83823 
1 1 1   18   28  -16 o   34.567   6.2347  406.735  119.477  425.634  210.190  397.714  145.220   34.436   9.9860   34.699   7.4677 -0.2625122 12.46945 
1 1 1   18   29  -16 o   12.284   4.1779 -157.6163   85.312 -179.7915  112.659 -127.8045  130.625   11.190   5.4463   13.378   6.3370 -2.187883 8.355787 
1 1 1   18   30  -16 o   26.367   6.0395  209.616  101.714  144.713  124.035  342.872  177.728   21.724   7.7861   31.011   9.2347 -9.286297 12.07904 
1 1 1   18   31  -16 o   17.271   5.8233 -50.4859   92.243 -49.0072   96.969 -64.5542  299.105   12.773   5.8462   21.770   10.073 -8.997220 11.64668 
1 1 1   18   32  -16 o   25.063   4.9716  216.770   75.898  248.432   99.365  172.422  117.597   27.381   6.3986   22.746   7.6110 4.634796 9.943286 
1 1 1   18   33  -16 o   14.673   4.8811 -82.3318   97.858 -48.8138  114.372 -173.9138  189.053   13.832   6.3377   15.514   7.4253 -1.681822 9.762224 
1 1 1   18    0  -17 o   84.981   4.6759  2050.88  206.697  1932.55  243.722  2354.04  390.100   81.111   5.2533   88.851   7.7370 -0.000000 0.000000 
1 1 1   18    1  -17 o   67.058   3.9648  1311.59  153.446  1283.72  212.266  1342.11  222.077   66.321   5.5417   67.795   5.6718 -1.474403 7.929698 
1 1 1   18    2  -17 o   28.320   7.2652  190.001  149.802  269.219  245.405  142.950  189.127   31.399   10.980   25.242   9.5166 6.157587 14.53044 
1 1 1   18    3  -17 o   33.373   6.4411  335.556  127.465  404.068  192.938  282.493  169.798   36.183   9.2094   30.564   9.0077 5.619181 12.88221 
1 1 1   18    4  -17 o   67.137   3.4117  1301.13  131.002  1391.49  202.333  1235.91  171.896   69.097   5.0701   65.177   4.5666 3.920700 6.823464 
1 1 1   18    5  -17 o   66.406   4.4935  1294.01  172.094  1243.87  246.577  1341.63  240.300   65.119   6.5563   67.693   6.1465 -2.574203 8.986922 
1 1 1   18    6  -17 o   43.163   7.6833  586.274  193.819  707.185  270.620  458.933  277.722   47.738   10.129   38.588   11.556 9.150661 15.36665 
1 1 1   18    7  -17 o   20.033   6.2018 -116.5309  150.261 -343.5778  218.725   86.395  206.780   16.018   7.7470   24.047   9.6868 -8.029354 12.40364 
1 1 1   18    8  -17 o   54.679   6.0467  871.471  184.764  823.234  230.919  957.298  308.023   52.786   7.5745   56.572   9.4275 -3.785980 12.09346 
1 1 1   18    9  -17 o   98.446   4.0743  2821.87  211.759  2877.01  389.501  2798.74  252.304   98.852   6.8224   98.039   4.4559 0.8131714 8.148662 
1 1 1   18   10  -17 o   62.852   4.4821  1150.86  162.698   0.0000   0.0000  1150.86  162.698  ?   ?    62.852   4.4821      ?      ? 
1 1 1   18   11  -17 o   47.198   6.8115  707.538  181.366  907.235  248.664  480.560  265.106   55.275   7.7893   39.122   11.177 16.15326 13.62310 
1 1 1   18   12  -17 o   25.323   6.8954   40.351  152.785  310.652  247.907 -125.1940  194.009   32.641   11.050   18.005   8.2514 14.63630 13.79084 
1 1 1   18   13  -17 o   36.827   7.2160  420.248  156.570  462.724  246.987  391.711  202.445   38.282   10.736   35.373   9.6443 2.908966 14.43199 
1 1 1   18   14  -17 o   21.554   6.4931   1.0544  146.567 -127.0585  227.842   91.495  191.434   19.758   9.0119   23.349   9.3504 -3.591679 12.98629 
1 1 1   18   15  -17 o   61.902   5.6983  1232.28  161.564  1294.36  185.426  1036.58  329.236   66.471   4.8300   57.334   10.323 9.137772 11.39667 
1 1 1   18   16  -17 o   53.612   3.8668  846.899  119.678  841.535  171.437  851.999  167.145   53.429   5.5557   53.795   5.3798 -0.3653908 7.733616 
1 1 1   18   17  -17 o   12.998   4.6016 -530.4665  139.723 -621.0242  187.124 -416.3539  210.055   11.470   5.7996   14.527   7.1459 -3.056129 9.203190 
1 1 1   18   18  -17 o   53.680   6.2234  891.709  136.819  904.122  338.989  889.294  149.540   52.362   11.522   54.999   4.7078 -2.637218 12.44682 
1 1 1   18   19  -17 o   13.526   5.9986 -27.5277   93.254   0.0000   0.0000 -27.5277   93.254  ?   ?    13.526   5.9986      ?      ? 
1 1 1   18   20  -17 o   23.402   5.4018  174.983   95.524 -176.8846  224.908  252.428  105.514   18.383   8.5833   28.422   6.5610 -10.03864 10.80367 
1 1 1   18   21  -17 o   18.342   6.0701 -102.9583  128.905 -82.1613  143.739 -188.4000  291.347   15.548   7.1169   21.136   9.8354 -5.588363 12.14025 
1 1 1   18   22  -17 f   35.523   4.7552  374.943   97.557   0.0000   0.0000  374.943   97.557  ?   ?    35.523   4.7552      ?      ? 
1 1 1   18   23  -17 o   33.076   6.1026  366.594  110.734  332.532  210.731  379.586  130.152   31.506   10.170   34.645   6.7473 -3.138649 12.20510 
1 1 1   18   24  -17 o   23.828   6.7252   77.768  116.049  292.364  261.512   25.146  129.498   30.173   11.227   17.483   7.4073 12.68996 13.45035 
1 1 1   18   25  -17 o   46.304   5.2158  648.418  139.482   0.0000   0.0000  648.418  139.482  ?   ?    46.304   5.2158      ?      ? 
1 1 1   18   26  -17 o   25.786   6.2839  211.693  111.452  196.430  142.779  235.498  178.313   24.749   8.3858   26.823   9.3609 -2.073833 12.56777 
1 1 1   18   27  -17 o   42.330   4.2027  581.501   95.034  710.576  128.088  423.443  141.742   48.601   4.5633   36.059   7.0588 12.54193 8.405403 
1 1 1   18   28  -17 o   32.331   5.1646  358.601   92.595  397.879  114.294  283.587  157.950   35.984   5.4995   28.677   8.7435 7.307194 10.32922 
1 1 1   18   29  -17 o   12.220   4.3182 -352.9998  112.553 -336.9365  191.365 -361.4955  139.170   13.824   6.8044   10.616   5.3186 3.208380 8.636363 
1 1 1   18   30  -17 o   24.988   5.6377  170.470   85.827  109.698  100.447  334.852  165.200   19.320   6.9961   30.656   8.8424 -11.33586 11.27536 
1 1 1   18   31  -17 f   27.138   7.1362  266.406  140.258  134.940  336.191  294.111  154.331   25.618   11.374   28.658   8.6216 -3.039688 14.27242 
1 1 1   18   32  -17 o   16.511   5.4767   4.8248   78.401   25.482   80.720 -339.2780  329.448   14.123   5.9079   18.899   9.2235 -4.776066 10.95343 
1 1 1   18    0  -18 o   24.258   9.9743  170.974  221.166   66.746  270.990  378.887  382.738   19.018   11.918   29.498   15.997 -0.000000 0.000000 
1 1 1   18    1  -18 o   53.054   7.3854  921.395  203.455  1018.45  246.324  713.047  360.915   58.772   7.2569   47.335   12.865 11.43674 14.77077 
1 1 1   18    2  -18 o   35.067   7.0580  392.523  147.232  286.780  264.174  440.168  177.326   32.320   11.386   37.813   8.3435 -5.493587 14.11605 
1 1 1   18    3  -18 o   34.640   7.4432  365.098  160.774  363.588  211.071  367.184  248.137   34.398   10.016   34.881   11.013 -0.4828911 14.88642 
1 1 1   18    4  -18 o   22.918   6.5635   32.798  136.794 -60.3618  175.015  179.071  219.302   18.362   8.1765   27.474   10.269 -9.112396 13.12697 
1 1 1   18    5  -18 o   52.301   5.5366  851.372  152.126  726.921  253.617  921.312  190.127   48.526   9.3888   56.076   5.8706 -7.549900 11.07312 
1 1 1   18    6  -18 o   33.189   6.4248  313.381  130.157  188.442  168.206  499.823  205.477   26.239   9.0954   40.139   9.0765 -13.89968 12.84951 
1 1 1   18    7  -18 o   34.060   7.1954  336.608  157.821  202.286  211.700  504.651  236.787   28.000   10.154   40.119   10.197 -12.11883 14.39071 
1 1 1   18    8  -18 o   64.579   4.4593  1217.92  165.622  1325.11  248.553  1132.31  222.119   67.096   6.4141   62.063   6.1968 5.033813 8.918601 
1 1 1   18    9  -18 o   40.327   8.0782  524.551  201.223  374.883  309.893  633.659  264.591   35.820   12.350   44.834   10.417 -9.013920 16.15630 
1 1 1   18   10  -18 o   63.010   4.5298  1158.68  164.843   0.0000   0.0000  1158.68  164.843  ?   ?    63.010   4.5298      ?      ? 
1 1 1   18   11  -18 o   67.251   4.2507  1388.23  153.834  1159.42  257.835  1514.71  191.692   62.496   7.1434   72.007   4.6094 -9.510513 8.501417 
1 1 1   18   12  -18 o   38.889   5.5662  485.533  122.096  663.622  167.155  281.835  178.770   47.425   6.1027   30.352   9.3107 17.07322 11.13246 
1 1 1   18   13  -18 o   33.625   6.9615  308.608  127.376  466.745  262.963  260.130  145.597   38.242   11.192   29.008   8.2812 9.234655 13.92297 
1 1 1   18   14  -18 o   30.514   5.8812  277.706   95.501  308.092  195.278  268.155  109.487   31.536   9.7406   29.491   6.5936 2.044975 11.76239 
1 1 1   18   15  -18 o   78.493   3.1866  1789.77  140.435  1872.52  229.185  1740.02  177.705   79.808   4.9723   77.177   3.9868 2.630302 6.373237 
1 1 1   18   16  -18 o   49.632   5.8772  646.878  149.623  1049.13  303.413  517.625  171.990   58.422   8.9923   40.843   7.5700 17.57925 11.75447 
1 1 1   18   17  -18 o   66.711   3.7641  1345.89  132.234  1243.07  237.543  1392.06  159.177   64.473   6.3794   68.950   3.9972 -4.477989 7.528284 
1 1 1   18   18  -18 o   29.733   5.3622  255.697   81.366  327.367  170.003  234.400   92.669   31.949   8.8887   27.517   6.0002 4.431604 10.72435 
1 1 1   18   19  -18 o   23.222   6.5989 -25.6349   94.396  365.500  285.066 -73.8055  100.040   33.792   11.833   12.652   5.8442 21.13944 13.19788 
1 1 1   18   20  -18 o   22.709   6.3959   52.959  100.422  256.329  241.993   10.652  110.374   29.415   10.827   16.004   6.8118 13.41105 12.79181 
1 1 1   18   21  -18 o   32.803   7.0851  360.067  143.873  366.260  180.198  349.178  238.948   33.227   9.1154   32.379   10.849 0.8481979 14.17012 
1 1 1   18   22  -18 f   46.282   6.1637  661.194   95.528  744.442  311.326  652.541  100.369   45.500   11.761   47.064   3.6925 -1.564209 12.32746 
1 1 1   18   23  -18 o   15.175   5.3987 -445.9981  145.990 -340.8881  300.340 -478.5162  167.053   19.057   9.1822   11.293   5.6808 7.764004 10.79741 
1 1 1   18   24  -18 o   27.526   7.3261  200.768  136.413  341.218  291.298  161.315  154.388   31.556   11.828   23.495   8.6482 8.060671 14.65223 
1 1 1   18   25  -18 o   17.549   5.1647   40.247   86.184   23.732  115.388   61.086  129.613   16.501   6.9917   18.597   7.6035 -2.096781 10.32941 
1 1 1   18   26  -18 o   56.595   2.8495  956.391   92.829  1051.18  132.019  863.691  130.554   59.453   3.8448   53.738   4.2065 5.715527 5.698915 
1 1 1   18   27  -18 o   30.884   5.0748  321.879   86.329  340.603  107.390  287.674  145.143   32.756   5.8933   29.013   8.2633 3.742805 10.14957 
1 1 1   18   28  -18 o   42.847   3.6135  566.887   85.484  581.778  107.427  541.181  141.148   44.001   4.2273   41.694   5.8616 2.306622 7.226945 
1 1 1   18   29  -18 o   15.063   4.8618 -104.4097  102.465   33.898  136.969 -280.1774  154.408   17.719   7.5661   12.406   6.1075 5.312635 9.723550 
1 1 1   18   30  -18 o   26.214   4.8047  238.202   70.436  254.635   83.841  198.781  129.855   28.266   5.3313   24.162   7.9948 4.104460 9.609343 
1 1 1   18   31  -18 o   22.000   5.3711  173.437   81.259  207.505   86.036 -108.0799  247.320   25.053   6.0209   18.948   8.8962 6.105293 10.74214 
1 1 1   18    0  -19 o   72.905   5.6504  1573.48  234.626  1573.48  234.626   0.0000   0.0000   72.905   5.6504   72.905   5.6504 -0.000000 0.000000 
1 1 1   18    1  -19 o   79.987   3.9114  1895.81  163.589  1926.94  194.834  1821.42  301.180   81.360   4.1464   78.613   6.6336 2.747437 7.822809 
1 1 1   18    2  -19 o   29.251   6.5294  261.077  130.979   97.557  219.518  351.474  163.215   24.819   9.9866   33.684   8.4143 -8.865685 13.05881 
1 1 1   18    3  -19 o   30.341   6.9376  274.976  136.644  297.635  170.323  234.054  228.894   31.129   8.9784   29.552   10.579 1.576210 13.87510 
1 1 1   18    4  -19 o   21.109   6.2079   26.066  126.611   98.211  186.344 -35.7988  172.558   23.437   9.2771   18.781   8.2517 4.655466 12.41586 
1 1 1   18    5  -19 o   79.849   3.3341  1791.01  145.849  1652.64  176.995  2083.74  257.432   75.339   4.0678   84.359   5.2838 -9.019844 6.668230 
1 1 1   18    6  -19 o   11.928   4.2331 -521.4599  127.430 -479.4540  179.149 -564.4789  181.296   12.229   6.1131   11.626   5.8574 0.6030722 8.466296 
1 1 1   18    7  -19 o   11.885   6.0073 -663.1627  199.708 -663.1627  199.708   0.0000   0.0000   11.885   6.0073  ?   ?       ?      ? 
1 1 1   18    8  -19 o   17.486   8.2814 -406.2830   99.680 -246.6948  222.856 -446.1963  111.451   17.486   8.2814  ?   ?       ?      ? 
1 1 1   18    9  -19 o   57.437   4.6552  910.943  134.136  1114.16  278.519  849.574  153.055   61.013   7.9041   53.861   4.9202 7.151310 9.310364 
1 1 1   18   10  -19 o   59.524   4.4047  1049.50  150.734  930.317  211.955  1171.46  214.406   56.025   6.5505   63.024   5.8905 -6.998211 8.809438 
1 1 1   18   11  -19 o   22.379   5.7648  106.234  106.193  213.331  143.229 -24.5118  158.253   26.617   8.3621   18.141   7.9379 8.475405 11.52969 
1 1 1   18   12  -19 o   44.170   4.3716  553.834  103.297  644.407  190.920  516.346  122.828   46.428   7.1201   41.912   5.0742 4.515965 8.743194 
1 1 1   18   13  -19 o   34.271   6.6509  359.691  138.732  243.961  185.258  507.456  209.334   28.604   9.5529   39.937   9.2564 -11.33284 13.30182 
1 1 1   18   14  -19 o   17.115   5.6859 -203.4134  137.536 -93.7895  223.648 -270.0849  174.415   19.990   9.0430   14.241   6.8950 5.748524 11.37175 
1 1 1   18   15  -19 o   10.418   3.7438 -544.5237  110.743 -599.8774  181.164 -511.4995  139.931   11.274   5.7010   9.5619   4.8542 1.712074 7.487659 
1 1 1   18   16  -19 o   20.594   5.3517  104.699   86.213   44.492  131.745  149.792  114.016   18.611   7.6439   22.578   7.4924 -3.966957 10.70347 
1 1 1   18   17  -19 o   11.929   4.2278 -460.3164  121.378 -475.1749  161.112 -440.8139  184.581   11.096   5.5816   12.762   6.3517 -1.665921 8.455665 
1 1 1   18   18  -19 o   19.065   5.4167 -46.3521  110.536  187.294  158.051 -270.0428  154.648   25.229   8.8126   12.900   6.3009 12.32967 10.83340 
1 1 1   18   19  -19 o   10.681   3.8341 -616.1909  122.775 -593.0828  167.126 -643.2827  180.960   10.481   5.3193   10.881   5.5234 -0.3993607 7.668289 
1 1 1   18   20  -19 o   27.773   4.8886  263.290   78.757  158.763  142.393  309.359   94.532   23.396   8.3470   32.149   5.0913 -8.753166 9.777161 
1 1 1   18   21  -19 o   10.753   3.7966 -249.0914   82.314 -400.1352  164.325 -198.4945   95.107   11.876   5.9237   9.6293   4.7505 2.246460 7.593236 
1 1 1   18   22  -19 o   9.8543   4.9986 -646.8770  116.600 -886.8431  192.983 -508.9088  146.330  ?   ?    9.8543   4.9986      ?      ? 
1 1 1   18   23  -19 o   11.347   5.5579 -220.0271  122.883 -220.0271  122.883   0.0000   0.0000   11.347   5.5579  ?   ?       ?      ? 
1 1 1   18   24  -19 o   15.094   5.0305 -142.1121  113.999 -105.5501  162.304 -177.7127  160.156   15.813   7.3524   14.375   6.8677 1.437785 10.06096 
1 1 1   18   25  -19 o   41.736   4.0436  564.399   89.213  451.357  142.308  637.589  114.507   37.346   6.8503   46.126   4.2984 -8.779888 8.087174 
1 1 1   18   26  -19 o   22.737   6.2227  143.702  116.597  126.265  167.809  159.976  162.123   22.190   8.7973   23.285   8.8033 -1.094219 12.44546 
1 1 1   18   27  -19 o   9.6845   4.8740 -435.5770   88.512 -356.8382  123.757 -518.0294  126.642   9.6845   4.8740  ?   ?       ?      ? 
1 1 1   18   28  -19 f   40.360   5.1539  553.901  114.067  711.625  158.341  383.744  164.464   47.735   5.7434   32.984   8.5593 14.75081 10.30774 
1 1 1   18   29  -19 o   12.068   4.1537 -170.4078   83.734 -184.4558  102.312 -141.9104  145.721   10.259   5.0346   13.877   6.6079 -3.617953 8.307305 
1 1 1   18   30  -19 o   15.078   4.8269 -20.4613   80.256 -20.4105   93.404 -20.6047  156.878   13.261   5.9342   16.895   7.6146 -3.633805 9.653859 
1 1 1   18    0  -20 o   9.0892   4.6864 -463.0360  144.125 -510.8568  201.207 -412.6451  206.544   8.6331   6.3225   9.5453   6.9193 -0.000000 0.000000 
1 1 1   18    1  -20 o   23.528   6.5258  106.439  128.988   93.513  175.062  121.790  190.784   22.721   8.9924   24.335   9.4596 -1.614426 13.05168 
1 1 1   18    2  -20 o   11.902   6.0266 -653.8997  117.424 -626.4290  142.735 -711.4226  206.546  ?   ?    11.902   6.0266      ?      ? 
1 1 1   18    3  -20 o   12.715   4.3884 -251.3450  102.065 -308.0135  167.249 -217.7179  128.836   13.363   6.5327   12.066   5.8613 1.297880 8.776735 
1 1 1   18    4  -20 o   71.970   3.7583  1528.06  152.604  1557.83  197.047  1483.44  241.220   72.983   4.6748   70.957   5.8862 2.025749 7.516699 
1 1 1   18    5  -20 o   46.132   4.6933  550.000  108.985  806.968  232.421  477.573  123.392   51.935   7.7487   40.329   5.2977 11.60641 9.386582 
1 1 1   18    6  -20 o   52.950   3.1690  819.185   96.817  808.634  133.658  830.833  140.434   52.604   4.3994   53.297   4.5623 -0.6933823 6.337940 
1 1 1   18    7  -20 o   14.274   4.8129 -205.8746  111.981 -413.6517  193.342 -100.9885  137.368   13.662   6.7463   14.885   6.8660 -1.223009 9.625727 
1 1 1   18    8  -20 o   60.340   3.9976  1073.74  127.361  1073.99  232.855  1073.64  152.133   60.087   6.7099   60.593   4.3473 -0.5059929 7.995111 
1 1 1   18    9  -20 o   46.943   3.6635  659.582   95.387  604.609  154.708  693.297  121.156   45.204   5.9258   48.683   4.3091 -3.478436 7.326929 
1 1 1   18   10  -20 o   30.221   7.6031  201.249  127.833  401.568  332.097  166.405  138.505   36.268   12.768   24.174   8.2591 12.09444 15.20612 
1 1 1   18   11  -20 o   26.344   6.6354  192.585  127.133  199.922  174.052  184.193  186.143   26.501   9.2484   26.187   9.5176 0.3134537 13.27090 
1 1 1   18   12  -20 o   14.028   4.6708 -148.0531   95.645 -86.2618  148.909 -191.4475  124.789   15.915   7.2694   12.141   5.8670 3.774199 9.341585 
1 1 1   18   13  -20 o   51.155   3.5152  752.734  102.461  941.970  159.443  619.615  133.728   56.512   4.8852   45.799   5.0557 10.71251 7.030314 
1 1 1   18   14  -20 o   43.822   4.5087  497.935   97.954  741.980  214.279  433.464  110.135   49.357   7.5170   38.286   4.9808 11.07094 9.017356 
1 1 1   18   15  -20 o   35.795   5.1399  397.461  102.184  461.172  154.520  347.945  136.222   38.379   7.2365   33.210   7.3011 5.169228 10.27973 
1 1 1   18   16  -20 o   29.922   6.1523  285.832  122.274  131.964  178.587  421.612  167.763   23.643   9.1629   36.201   8.2126 -12.55753 12.30466 
1 1 1   18   17  -20 o   25.806   5.1729  228.943   78.369  115.276  164.411  262.362   89.148   22.449   8.7661   29.163   5.4945 -6.714346 10.34572 
1 1 1   18   18  -20 f   28.868   5.7846  275.289  101.761  312.583  132.982  222.595  158.071   31.151   7.4848   26.585   8.8219 4.565411 11.56930 
1 1 1   18   19  -20 o   17.369   5.7686 -140.5594  138.044 -106.2853  166.051 -217.2465  248.382   16.216   7.5042   18.521   8.7632 -2.304773 11.53717 
1 1 1   18   20  -20 o   16.177   5.8304 -211.7218   84.464 -75.9010  331.367 -221.1596   87.350   23.696   10.831   8.6583   4.3188 15.03775 11.66073 
1 1 1   18   21  -20 o   20.643   6.2861   55.484   84.291   90.157  285.469   52.173   88.225   25.120   10.828   16.166   6.3883 8.953901 12.57222 
1 1 1   18   22  -20 o   36.955   7.2821  436.491  134.020  587.205  316.944  403.676  147.893   38.871   12.465   35.039   7.5323 3.832565 14.56412 
1 1 1   18   23  -20 f   25.792   7.4949  219.655  118.294  219.655  118.294   0.0000   0.0000   25.792   7.4949  ?   ?       ?      ? 
1 1 1   18   24  -20 o   33.064   5.7991  377.956  109.946  330.351  171.313  411.296  143.367   30.770   9.0419   35.358   7.2637 -4.587578 11.59820 
1 1 1   18   25  -20 o   16.410   4.9481   17.069   84.365   58.763  113.257 -34.9053  126.451   17.591   7.1398   15.229   6.8526 2.361927 9.896220 
1 1 1   18   26  -20 o   38.445   6.3239  535.415  126.666  558.849  146.362  465.503  252.807   42.254   5.9976   34.635   11.135 7.618492 12.64781 
1 1 1   18   27  -20 o   18.256   5.4348   51.862   96.465   87.941  115.872 -29.6111  174.124   18.770   7.3510   17.742   8.0070 1.027689 10.86969 
1 1 1   18   28  -20 o   38.396   5.7670  499.186  121.772  602.971  196.102  434.052  155.354   41.352   8.4952   35.439   7.8014 5.912537 11.53394 
1 1 1   18   29  -20 o   18.557   5.6686   38.438  108.465   10.935  138.552   81.974  174.320   16.826   7.3932   20.288   8.5950 -3.462450 11.33727 
1 1 1   18    0  -21 o   45.824   6.6554  708.598  151.039  846.558  208.645  556.702  218.929   52.256   7.3261   39.393   11.113 -0.000000 0.000000 
1 1 1   18    1  -21 f   17.966   5.9184 -197.4809  148.122 -281.3282  194.221 -80.9172  228.999   15.311   7.3789   20.622   9.2552 -5.311031 11.83671 
1 1 1   18    2  -21 o   16.622   5.3161 -74.8837  109.381 -93.2704  157.181 -57.6189  152.310   16.352   7.4687   16.893   7.5673 -0.5416622 10.63228 
1 1 1   18    3  -21 o   41.890   6.6864  445.826  134.432  359.039  149.927  801.800  303.640   33.912   7.8154   49.867   10.851 -15.95538 13.37272 
1 1 1   18    4  -21 o   14.227   4.7342 -149.1370  100.001 -107.6093  145.867 -185.9629  137.362   15.288   7.0601   13.167   6.3091 2.121607 9.468377 
1 1 1   18    5  -21 o   48.930   3.6965  702.133  104.146  668.391  140.816  742.876  154.736   47.658   5.1160   50.202   5.3368 -2.543987 7.392911 
1 1 1   18    6  -21 o   54.956   3.9289  883.252  117.755  864.943  143.898  920.367  204.880   54.301   4.5884   55.611   6.3790 -1.310238 7.857797 
1 1 1   18    7  -21 o   78.608   3.3822  1752.29  148.547  1581.84  184.394  2067.43  250.728   73.474   4.3454   83.742   5.1841 -10.26756 6.764422 
1 1 1   18    8  -21 o   25.021   6.2903  161.101  114.536  237.958  177.341  106.100  150.021   28.138   9.3445   21.904   8.4232 6.234030 12.58052 
1 1 1   18    9  -21 o   31.071   6.1269  296.873  106.039   0.0000   0.0000  296.873  106.039  ?   ?    31.071   6.1269      ?      ? 
1 1 1   18   10  -21 o  ?   ?  -1031.5830  170.227 -958.7261  209.368 -1173.6740  292.387  ?   ?   ?   ?       ?      ? 
1 1 1   18   11  -21 o   18.429   5.8610 -59.8977  126.809 -72.3994  207.791 -52.4786  160.073   19.505   8.7798   17.353   7.7667 2.151352 11.72201 
1 1 1   18   12  -21 o   23.696   5.9463  136.182  107.798  249.050  159.043   40.266  146.613   28.176   8.8050   19.217   7.9940 8.958727 11.89254 
1 1 1   18   13  -21 o   15.805   4.9488 -29.0683   89.237 -53.1866  135.320 -10.5083  118.707   15.736   7.0842   15.873   6.9121 -0.1369629 9.897587 
1 1 1   18   14  -21 o   30.291   4.9567  321.456   89.920  132.205  149.641  428.414  112.496   22.650   8.4798   37.931   5.1351 -15.28133 9.913417 
1 1 1   18   15  -21 o   22.171   6.1007   95.172  113.244   30.058  147.570  188.443  176.618   18.777   7.9287   25.566   9.2741 -6.789570 12.20133 
1 1 1   18   16  -21 o   58.638   4.5691  966.424  133.240  891.581  151.294  1225.07  281.253   54.706   4.7885   62.569   7.7831 -7.863323 9.138172 
1 1 1   18   17  -21 o   12.237   5.7472 -97.2658  103.352   0.0000   0.0000 -97.2658  103.352  ?   ?    12.237   5.7472      ?      ? 
1 1 1   18   18  -21 o   33.569   5.9729  355.234  110.011  313.615  133.355  443.892  194.635   31.011   7.5227   36.127   9.2795 -5.115534 11.94574 
1 1 1   18   19  -21 o   31.155   5.9458  316.655   97.048  327.456  207.786  313.642  109.755   30.864   10.108   31.445   6.2635 -0.5803070 11.89165 
1 1 1   18   20  -21 o   24.208   7.2121   32.428  199.150 -412.6833  336.687  271.966  246.990   19.485   9.4679   28.931   10.882 -9.445713 14.42417 
1 1 1   18   21  -21 o   28.266   6.5447  273.643  127.613  341.828  168.800  182.692  194.955   31.505   8.8899   25.027   9.6073 6.478537 13.08934 
1 1 1   18   22  -21 o   37.919   5.9985  424.885  115.257  349.207  132.674  657.698  232.704   32.556   7.2430   43.283   9.5639 -10.72614 11.99700 
1 1 1   18   23  -21 o   18.444   5.5339   31.652  106.138   97.451  131.718 -90.1742  179.229   19.961   7.8318   16.928   7.8203 3.033285 11.06771 
1 1 1   18   24  -21 o   19.659   5.7051   68.590  102.123   34.191  131.552  120.758  162.005   17.568   7.4558   21.751   8.6372 -4.182959 11.41011 
1 1 1   18   25  -21 o   30.879   6.3089  343.160  116.767  311.970  201.048  359.036  143.438   29.304   9.9509   32.453   7.7581 -3.148670 12.61777 
1 1 1   18   26  -21 o   20.090   6.0157   62.476  124.098 -51.8284  205.909  127.678  155.515   18.620   8.5214   21.559   8.4936 -2.938940 12.03143 
1 1 1   18   27  -21 o   29.335   5.7561  302.703   97.577  300.190  119.342  307.769  169.482   29.739   7.0549   28.932   9.0973 0.8067627 11.51223 
1 1 1   18   28  -21 o   11.636   4.0857 -312.7912  105.526 -379.1891  149.419 -246.7159  149.055   10.908   5.4713   12.363   6.0692 -1.455535 8.171358 
1 1 1   18    0  -22 f   39.535   7.5159  505.836  153.577  505.836  153.577   0.0000   0.0000   39.535   7.5159   39.535   7.5159 -0.000000 0.000000 
1 1 1   18    1  -22 o   12.304   4.2379 -235.8228   96.207 -208.8402  141.897 -258.7798  130.885   13.061   6.2977   11.548   5.6726 1.512663 8.475836 
1 1 1   18    2  -22 o   40.507   5.8453  559.704  130.133  706.819  166.489  328.685  208.633   48.763   5.9117   32.252   10.086 16.51040 11.69061 
1 1 1   18    3  -22 o   13.513   4.6132 -274.5612  111.416 -120.3295  156.691 -432.2870  158.456   15.660   7.2619   11.366   5.6913 4.294678 9.226357 
1 1 1   18    4  -22 o   20.479   5.0105   48.269   93.491 -169.4084  137.043  237.767  127.865   13.392   6.3856   27.566   7.7228 -14.17341 10.02091 
1 1 1   18    5  -22 o   18.054   5.7846 -51.9972  117.957 -209.8208  244.718  -4.2315  134.629   18.934   8.8769   17.174   7.4194 1.760599 11.56923 
1 1 1   18    6  -22 o   69.467   3.2056  1406.54  120.672  1381.51  146.614  1459.10  212.466   68.736   3.6932   70.199   5.2405 -1.463028 6.411165 
1 1 1   18    7  -22 o   32.009   6.8614  320.613  113.768  278.622  297.194  327.823  123.148   31.583   11.924   32.435   6.7918 -0.8521080 13.72279 
1 1 1   18    8  -22 o   35.892   6.3848  423.604  127.108  380.522  225.090  443.774  154.015   34.147   10.443   37.638   7.3489 -3.490925 12.76957 
1 1 1   18    9  -22 o   31.897   5.0929  324.880   90.679  293.199  141.291  347.068  118.244   30.319   7.9654   33.475   6.3483 -3.156013 10.18574 
1 1 1   18   10  -22 o   58.503   3.8293  1027.85  128.341  927.213  186.976  1117.51  176.481   55.633   5.8193   61.373   4.9789 -5.740162 7.658614 
1 1 1   18   11  -22 o   15.602   4.9849 -56.2738   91.901 -31.2749  152.581 -70.5061  115.127   17.336   7.6814   13.867   6.3556 3.468691 9.969789 
1 1 1   18   12  -22 o   54.528   4.6279  947.810  129.040  1011.13  154.301  800.490  235.351   58.415   4.5736   50.641   8.0469 7.773762 9.255839 
1 1 1   18   13  -22 o   25.312   6.4779  180.113  115.075  169.055  138.363  204.927  207.253   23.831   8.2498   26.792   9.9895 -2.961218 12.95573 
1 1 1   18   14  -22 o   45.865   4.3691  627.168  113.980  717.933  181.272  567.817  146.583   48.434   6.4803   43.296   5.8620 5.137661 8.738274 
1 1 1   18   15  -22 o   38.878   5.5655  446.487  114.527  358.793  137.571  644.477  206.712   33.351   7.3411   44.405   8.3672 -11.05359 11.13107 
1 1 1   18   16  -22 f   14.685   4.9143 -141.3689  107.058 -191.6107  178.701 -113.2414  133.708   15.340   7.3079   14.030   6.5724 1.309912 9.828642 
1 1 1   18   17  -22 o   16.071   5.1642 -64.7645  101.043 -13.6649  164.871 -95.5033  127.873   18.151   8.0164   13.992   6.5125 4.159319 10.32838 
1 1 1   18   18  -22 o   49.171   4.1409  726.872  115.488  946.454  176.000  560.835  153.044   55.750   5.4662   42.591   6.2217 13.15884 8.281840 
1 1 1   18   19  -22 o   22.736   5.2828  172.915   93.570 -135.1510  207.917  251.154  104.780   17.631   8.2391   27.842   6.6142 -10.21066 10.56552 
1 1 1   18   20  -22 o   18.262   5.6629 -47.3218   79.466  184.737  218.840 -82.5688   85.288   25.499   10.066   11.024   5.1913 14.47476 11.32589 
1 1 1   18   21  -22 o   30.587   6.4820  355.591  113.977  388.396  122.600  146.672  309.392   34.826   6.3285   26.349   11.314 8.477068 12.96397 
1 1 1   18   22  -22 o   14.845   4.8580 -82.2083   98.386 -74.3756  135.767 -90.8705  142.776   14.815   6.8310   14.874   6.9092 -0.5873203E-01 9.715968 
1 1 1   18   23  -22 o   33.708   6.2892  403.981  119.569  412.011  144.499  386.541  212.946   35.142   7.3556   32.274   10.203 2.867664 12.57835 
1 1 1   18   24  -22 o   13.496   4.6131 -195.3971  106.756 -172.6762  165.281 -211.6611  139.838   14.547   6.9572   12.446   6.0597 2.101089 9.226200 
1 1 1   18   25  -22 o   43.299   5.9109  591.729  147.814  591.729  147.814   0.0000   0.0000   43.299   5.9109  ?   ?       ?      ? 
1 1 1   18   26  -22 o   24.245   5.8867  182.007   96.588  126.054  118.804  291.092  165.885   20.364   7.5691   28.126   9.0178 -7.761198 11.77337 
1 1 1   18   27  -22 o   15.200   4.9222 -63.4299  100.482 -152.8386  147.801   13.408  137.017   13.655   6.5433   16.745   7.3550 -3.090399 9.844365 
1 1 1   18    0  -23 o   12.908   6.2508 -120.8644  142.120 -164.9775  182.831 -53.5140  225.911   11.143   7.7781   14.674   9.7874 -0.000000 0.000000 
1 1 1   18    1  -23 f   15.958   4.8668  -5.6171   82.141   23.877  117.908 -33.4296  114.496   17.020   7.1317   14.896   6.6244 2.124619 9.733666 
1 1 1   18    2  -23 o   12.914   4.5587 -384.6344  116.930 -304.4345  204.219 -423.7511  142.623   15.394   7.4551   10.433   5.2487 4.960801 9.117408 
1 1 1   18    3  -23 o   18.167   5.5572  -0.9260  106.940   1.5105  146.806  -3.6805  156.094   17.981   7.7580   18.352   7.9588 -0.3712921 11.11437 
1 1 1   18    4  -23 o   23.127   5.7957  150.421   97.004  159.423  134.325  140.609  140.236   23.475   8.1285   22.780   8.2638 0.6951160 11.59144 
1 1 1   18    5  -23 o   48.975   4.1252  693.176  112.752  819.034  190.819  625.660  139.760   52.106   6.3408   45.843   5.2786 6.263046 8.250443 
1 1 1   18    6  -23 o   16.934   5.3609 -50.2249  106.075 -16.8571  166.182 -73.1675  137.798   18.493   8.1120   15.375   7.0110 3.118446 10.72189 
1 1 1   18    7  -23 o   35.900   6.9134  424.317  125.628  398.993  297.235  429.824  138.617   34.688   12.087   37.111   6.7145 -2.422966 13.82676 
1 1 1   18    8  -23 o   12.683   4.4383 -365.8452  117.963 -266.5758  174.638 -449.1450  159.975   14.143   6.8600   11.222   5.6334 2.921357 8.876613 
1 1 1   18    9  -23 o   12.152   4.2473 -300.3604   99.257 -192.9169  161.422 -365.6806  125.862   14.436   6.8963   9.8684   4.9597 4.567855 8.494608 
1 1 1   18   10  -23 o   24.073   6.1278  165.828  109.046  189.673  156.355  143.246  152.159   25.108   8.7654   23.038   8.5653 2.070158 12.25552 
1 1 1   18   11  -23 o   16.738   5.2629 -29.7527  101.473 -43.3689  155.053 -19.5523  134.202   17.034   7.6325   16.441   7.2483 0.5931358 10.52584 
1 1 1   18   12  -23 o   25.602   5.7704  208.500   97.427  166.317  140.183  247.913  135.502   23.609   8.2965   27.596   8.0223 -3.986841 11.54077 
1 1 1   18   13  -23 o   23.413   6.1802  150.321  100.868  136.224  212.122  154.439  114.661   24.371   9.8133   22.455   7.5154 1.916180 12.36047 
1 1 1   18   14  -23 o   44.014   3.2679  562.161   81.568  737.615  127.286  439.902  106.252   49.730   4.4318   38.298   4.8037 11.43186 6.535773 
1 1 1   18   15  -23 o   26.948   6.0200  241.994  103.922  207.645  174.287  260.943  129.453   25.774   9.2304   28.123   7.7306 -2.348814 12.04004 
1 1 1   18   16  -23 o   31.578   6.0186  347.808  110.669  378.587  135.561  286.301  191.630   34.140   7.1064   29.016   9.7157 5.123762 12.03724 
1 1 1   18   17  -23 o   43.283   5.6381  628.725  130.600  562.961  216.221  666.498  163.869   40.170   9.4738   46.396   6.1154 -6.226917 11.27612 
1 1 1   18   18  -23 o   14.529   4.9872 -271.5190  132.291 -195.2130  182.731 -355.5630  191.773   15.330   7.3273   13.728   6.7676 1.601877 9.974471 
1 1 1   18   19  -23 o   38.141   5.5153  446.717  121.492   0.0000   0.0000  446.717  121.492  ?   ?    38.141   5.5153      ?      ? 
1 1 1   18   20  -23 o   17.586   5.5405 -13.9995  112.271 -201.4756  220.938   51.263  130.356   17.041   8.1205   18.131   7.5397 -1.090284 11.08103 
1 1 1   18   21  -23 o   19.614   5.8382   36.465  110.704 -26.2281  139.372  143.637  182.224   16.178   7.2435   23.051   9.1582 -6.872494 11.67649 
1 1 1   18   22  -23 f   26.859   6.1784  177.403  107.541   73.427  126.134  454.169  205.790   18.633   7.5445   35.084   9.7863 -16.45127 12.35681 
1 1 1   18   23  -23 o   11.334   5.6321 -309.8561  142.853 -309.8561  142.853   0.0000   0.0000   11.334   5.6321  ?   ?       ?      ? 
1 1 1   18   24  -23 o   32.517   5.2662  384.485   99.114  250.468  159.988  467.953  126.261   26.463   8.8773   38.570   5.6680 -12.10732 10.53244 
1 1 1   18   25  -23 o   29.734   5.4286  292.830   92.914  220.523  117.387  414.119  152.035   25.153   7.5084   34.316   7.8425 -9.162527 10.85729 
1 1 1   18    0  -24 o   18.041   7.7672  107.475  152.251  126.900  206.933   84.549  224.807   18.453   11.007   17.629   10.961 -0.000000 0.000000 
1 1 1   18    1  -24 o   34.581   5.4654  384.726  105.998  388.154  142.738  380.511  158.270   34.914   7.3130   34.248   8.1242 0.6656837 10.93082 
1 1 1   18    2  -24 o   13.748   4.7482 -197.1569   99.950 -176.9500  113.955 -264.5438  208.099   11.488   5.5646   16.007   7.6953 -4.519746 9.496469 
1 1 1   18    3  -24 o   21.978   5.5926  134.484   90.998  113.648  131.814  153.456  125.779   21.147   7.9505   22.809   7.8675 -1.661613 11.18515 
1 1 1   18    4  -24 o   38.996   5.7394  499.708  127.731  324.283  182.931  666.608  178.430   31.300   9.3798   46.691   6.6168 -15.39069 11.47880 
1 1 1   18    5  -24 o   32.649   5.3183  345.002   98.054  365.035  132.799  320.989  145.392   33.891   7.0157   31.407   7.9949 2.484150 10.63662 
1 1 1   18    6  -24 o   19.656   5.6440 -51.6168  113.515  210.970  179.820 -225.5823  146.364   26.379   9.3833   12.934   6.2748 13.44486 11.28804 
1 1 1   18    7  -24 f   10.984   3.8954 -297.6161   86.558 -248.9954  155.467 -319.4583  104.202   13.156   6.4021   8.8114   4.4394 4.344808 7.790743 
1 1 1   18    8  -24 o   23.052   6.2706  119.790  116.055  207.032  188.236   66.292  147.405   26.273   9.5675   19.831   8.1083 6.441345 12.54124 
1 1 1   18    9  -24 o   16.563   5.0773   1.2901   87.378   14.589  141.556  -6.8963  111.061   17.813   7.6512   15.313   6.6763 2.500448 10.15454 
1 1 1   18   10  -24 o   15.098   4.7668 -111.1436   97.791   57.094  128.523 -342.4613  150.704   18.546   7.5758   11.649   5.7878 6.897838 9.533660 
1 1 1   18   11  -24 o   46.600   4.6516  673.064  124.882  669.853  182.647  675.883  171.134   46.377   6.8190   46.822   6.3284 -0.4452057 9.303142 
1 1 1   18   12  -24 o   15.090   4.8215 -76.6014   95.502 -211.8480  146.870   22.475  125.706   13.077   6.3305   17.102   7.2742 -4.024998 9.643093 
1 1 1   18   13  -24 o   14.290   4.8985 -252.3240  125.511 -262.9812  176.545 -241.4332  178.470   14.088   6.8478   14.492   7.0064 -0.4042330 9.797005 
1 1 1   18   14  -24 f   27.277   6.4994  225.735  110.081  312.775  215.449  194.986  128.058   30.025   10.300   24.529   7.9294 5.496243 12.99884 
1 1 1   18   15  -24 o   17.385   6.0157 -254.7328  135.122 -294.0434  149.419 -78.3077  316.543   12.055   5.9485   22.716   10.458 -10.66108 12.03145 
1 1 1   18   16  -24 o   17.422   5.4498 -12.3748  104.785   16.984  171.158 -29.9753  132.522   19.053   8.2981   15.790   7.0670 3.262572 10.89958 
1 1 1   18   17  -24 o   19.580   6.3590 -36.8541  101.566  123.410  303.757 -57.0274  107.770   25.732   11.131   13.429   6.1527 12.30284 12.71795 
1 1 1   18   18  -24 o   26.973   6.8111  212.353  106.826  309.827  272.222  194.610  116.142   29.676   11.362   24.270   7.5145 5.405197 13.62213 
1 1 1   18   19  -24 o   16.969   5.3022 -25.9147  101.029   61.056  160.926 -82.4913  129.795   19.710   8.2989   14.228   6.6017 5.482266 10.60445 
1 1 1   18   20  -24 o   34.246   6.0115  401.197  119.011  519.314  181.071  311.364  157.910   38.778   8.3332   29.713   8.6667 9.064751 12.02303 
1 1 1   18   21  -24 o   39.988   6.1072  544.946  133.485  645.583  219.916  486.239  167.965   42.372   9.2463   37.603   7.9811 4.769440 12.21440 
1 1 1   18   22  -24 o   25.311   6.2328  218.434  131.520  346.952  161.066 -38.7210  227.835   31.023   8.6593   19.598   8.9669 11.42537 12.46552 
1 1 1   18   23  -24 o   38.513   5.6232  520.180  120.792  548.945  166.995  488.615  174.933   40.040   7.4971   36.986   8.3830 3.053604 11.24636 
1 1 1   18    0  -25 o   28.350   8.5335  315.835  146.250  540.492  248.324  196.526  180.965   36.102   13.004   20.599   11.054 -0.000000 0.000000 
1 1 1   18    1  -25 o   12.272   4.2276 -236.1937   98.256 -360.7421  154.370 -151.3735  127.393   11.685   5.8144   12.860   6.1385 -1.174650 8.455100 
1 1 1   18    2  -25 o  ?   ?  -740.5515  117.246 -678.7598  138.204 -899.2205  221.463  ?   ?   ?   ?       ?      ? 
1 1 1   18    3  -25 o   13.185   4.5865 -334.4655  122.994 -253.1600  171.493 -420.5828  176.494   14.016   6.7980   12.355   6.1588 1.661065 9.173019 
1 1 1   18    4  -25 o   16.379   5.0395  -0.9960   88.410   14.241  114.986 -23.0281  138.271   16.257   6.9370   16.501   7.3118 -0.2438965 10.07891 
1 1 1   18    5  -25 o   25.738   7.3273  125.942  146.214  299.177  299.612   71.788  167.515   30.703   11.877   20.772   8.5848 9.930948 14.65456 
1 1 1   18    6  -25 o   27.933   6.2860  248.290  112.500  318.047  179.812  203.421  144.212   30.606   9.3284   25.259   8.4284 5.347494 12.57206 
1 1 1   18    7  -25 o   32.641   5.6864  392.249  106.221  458.227  124.005  210.430  205.854   38.826   5.5301   26.456   9.9377 12.36968 11.37278 
1 1 1   18    8  -25 o   16.945   5.2405  -8.8113   99.112 -84.0183  156.600   41.444  128.013   16.013   7.3661   17.877   7.4560 -1.864077 10.48100 
1 1 1   18    9  -25 o   23.185   6.2916  147.021  117.519  170.863  148.126  106.524  193.053   23.728   8.5082   22.642   9.2708 1.086706 12.58328 
1 1 1   18   10  -25 o   35.754   5.4570  405.473  105.451  486.789  179.695  362.760  130.234   38.051   8.4014   33.456   6.9664 4.594807 10.91396 
1 1 1   18   11  -25 o   36.916   5.9880  467.830  118.959  488.895  141.831  417.855  218.458   39.715   6.1834   34.117   10.256 5.597733 11.97597 
1 1 1   18   12  -25 o   15.577   5.0566 -60.5457   92.992 -39.4690  174.251 -68.9385  109.959   17.846   8.0358   13.309   6.1403 4.536670 10.11327 
1 1 1   18   13  -25 o   20.358   6.2967   53.631  107.478 -43.4643  296.763   68.289  115.305   22.564   10.289   18.153   7.2612 4.411221 12.59334 
1 1 1   18   14  -25 o   12.365   4.4023 -530.4022  138.635 -569.6647  218.343 -503.8819  179.449   13.071   6.5642   11.659   5.8678 1.412186 8.804540 
1 1 1   18   15  -25 o   57.658   4.1322  1030.15  136.965  1032.28  203.456  1028.38  185.222   57.519   6.1245   57.797   5.5488 -0.2779770 8.264308 
1 1 1   18   16  -25 o   22.082   6.0985  124.777  108.136  171.080  183.571  100.172  133.819   24.080   9.3016   20.084   7.8896 3.995607 12.19694 
1 1 1   18   17  -25 o   17.422   5.4049 -71.8748   90.848  157.333  190.253 -139.5743  103.397   23.662   9.3714   11.182   5.3880 12.47987 10.80990 
1 1 1   18   18  -25 o   29.572   7.1887  319.885  155.076  204.285  228.829  418.067  210.887   25.719   10.249   33.426   10.083 -7.706955 14.37738 
1 1 1   18   19  -25 o   36.634   7.7312  449.289  160.252  765.978  315.840  339.497  185.967   42.904   12.179   30.364   9.5265 12.53967 15.46246 
1 1 1   18   20  -25 f   45.926   4.8769  688.855  125.357  580.375  171.452  813.451  183.748   41.441   7.4369   50.412   6.3111 -8.971603 9.753812 
1 1 1   18   21  -25 o   19.593   5.9403   59.901  120.471   39.967  176.167   77.412  165.115   19.263   8.4034   19.923   8.3983 -0.6592178 11.88060 
1 1 1   18   22  -25 o   12.608   4.5498 -643.8262  155.276 -586.6672  184.016 -785.1541  289.352   11.054   5.6071   14.162   7.1667 -3.108004 9.099554 
1 1 1   18    0  -26 o   23.241   9.2590  213.400  182.591  419.667  318.765  112.673  222.756   28.448   14.841   18.034   11.075 -0.000000 0.000000 
1 1 1   18    1  -26 o   43.192   4.8495  606.008  113.968  506.765  174.073  680.466  150.777   39.145   7.9705   47.239   5.5265 -8.094128 9.699009 
1 1 1   18    2  -26 o   14.197   4.8453 -219.5525  118.085 -222.2878  179.160 -217.4516  157.018   14.801   7.1216   13.594   6.5719 1.207240 9.690561 
1 1 1   18    3  -26 o   19.508   5.6856   43.285   92.229   8.0729  106.843  146.236  182.689   15.446   6.6412   23.569   9.2304 -8.122974 11.37126 
1 1 1   18    4  -26 o   17.499   5.2421   30.595   90.574   20.931  142.486   37.147  117.330   17.890   7.6800   17.108   7.1368 0.7818089 10.48414 
1 1 1   18    5  -26 f   19.272   6.1224 -32.2573  141.324 -87.2798  223.766   4.2537  182.278   19.219   8.8275   19.324   8.4857 -0.1056271 12.24471 
1 1 1   18    6  -26 o   22.549   6.8125   62.007  115.269  192.444  303.084   39.949  124.634   27.525   11.476   17.573   7.3453 9.952885 13.62501 
1 1 1   18    7  -26 f   19.810   5.9705   44.073  120.102   44.532  165.812   43.566  174.197   19.645   8.3550   19.975   8.5311 -0.3303070 11.94090 
1 1 1   18    8  -26 o   15.510   5.1206 -108.1035  111.536 -148.6920  177.915 -81.8238  143.160   15.845   7.4723   15.176   7.0033 0.6692104 10.24117 
1 1 1   18    9  -26 o   21.403   5.9517  113.414  109.424  154.090  140.427   50.536  174.593   22.671   8.2625   20.135   8.5687 2.536144 11.90344 
1 1 1   18   10  -26 o   13.952   4.6302 -119.6023   96.623 -354.1393  182.280 -27.9488  113.949   13.224   6.5336   14.680   6.5627 -1.456041 9.260494 
1 1 1   18   11  -26 o   36.962   6.8285  485.615  144.776  497.375  234.165  478.338  184.200   36.691   10.511   37.233   8.7193 -0.5426216 13.65705 
1 1 1   18   12  -26 o   17.435   5.7815 -159.3586  147.044 -43.3400  219.017 -254.5736  198.411   19.639   8.9105   15.231   7.3694 4.408203 11.56304 
1 1 1   18   13  -26 o   34.756   6.4074  425.216  124.307  424.097  222.355  425.724  149.923   33.789   10.387   35.722   7.5055 -1.932369 12.81485 
1 1 1   18   14  -26 o   22.486   6.0688  118.346  107.857  245.993  182.497   49.828  133.706   26.801   9.4615   18.171   7.6027 8.629560 12.13759 
1 1 1   18   15  -26 o   39.663   5.7725  537.107  127.807  605.466  185.523  475.362  176.321   42.333   7.8780   36.993   8.4394 5.340557 11.54495 
1 1 1   18   16  -26 o   38.100   6.7751  520.167  146.109  592.483  235.056  474.633  186.519   39.729   10.194   36.471   8.9272 3.257996 13.55022 
1 1 1   18   17  -26 o   34.030   6.5822  480.678  130.465  212.564  335.110  528.576  141.640   27.159   11.720   40.900   5.9962 -13.74127 13.16443 
1 1 1   18   18  -26 o   35.756   6.4891  386.323  110.620  645.927  261.857  329.930  122.045   40.204   10.971   31.307   6.9327 8.896814 12.97826 
1 1 1   18   19  -26 o   19.988   5.6909  101.522  100.918  114.043  144.371   89.558  141.123   20.486   8.1477   19.491   7.9473 0.9950790 11.38177 
1 1 1   18   20  -26 o   19.856   6.1831  -3.7548  128.282  195.522  233.368 -90.0431  153.564   24.589   10.145   15.123   7.0714 9.466210 12.36629 
1 1 1   18    0  -27 o   43.502   6.6879  645.710  146.139  561.547  192.687  759.674  224.221   39.688   9.7047   47.315   9.2048 -0.000000 0.000000 
1 1 1   18    1  -27 o   25.727   5.8183  217.592   98.185  181.319  134.603  258.839  143.535   23.804   8.1419   27.650   8.3138 -3.845766 11.63650 
1 1 1   18    2  -27 o   23.628   6.1809  156.099  107.400  225.827  183.585  119.818  132.426   26.296   9.4675   20.960   7.9486 5.335772 12.36176 
1 1 1   18    3  -27 o   13.950   4.7317 -159.6400   96.748 -104.4073  176.388 -183.4069  115.706   16.538   7.6813   11.362   5.5276 5.175829 9.463411 
1 1 1   18    4  -27 o   32.287   7.2156  325.934  123.903  477.536  298.053  294.262  136.232   35.027   12.109   29.546   7.8501 5.481670 14.43119 
1 1 1   18    5  -27 o   24.554   6.7036  175.363  130.266  170.311  225.633  177.888  159.540   25.107   10.117   24.001   8.7978 1.106537 13.40723 
1 1 1   18    6  -27 o   20.026   5.7989   62.283   99.645  150.254  181.070   24.070  119.341   23.407   9.1830   16.645   7.0840 6.761694 11.59782 
1 1 1   18    7  -27 o   19.742   6.2041  -1.9111  141.165   24.970  184.679 -39.6906  218.938   19.765   8.6137   19.719   8.9314 0.4653168E-01 12.40829 
1 1 1   18    8  -27 o   37.170   4.9150  443.210  100.676  430.447  128.479  463.515  162.051   37.181   5.9830   37.159   7.7995 0.2253342E-01 9.830012 
1 1 1   18    9  -27 f   27.478   6.4377  261.983  120.079  223.252  178.559  293.960  162.245   25.945   9.3374   29.011   8.8650 -3.066086 12.87539 
1 1 1   18   10  -27 o   25.039   5.8225  208.792   97.038  195.586  130.389  225.186  145.279   24.293   8.0099   25.786   8.4526 -1.492136 11.64500 
1 1 1   18   11  -27 o   30.083   7.3169  331.535  153.297  344.126  228.560  321.238  206.677   30.460   10.600   29.706   10.089 0.7536240 14.63382 
1 1 1   18   12  -27 o   27.266   5.9582  252.844  101.368  289.100  162.754  229.867  129.568   28.578   8.9033   25.953   7.9204 2.624474 11.91643 
1 1 1   18   13  -27 o   20.312   5.7789   99.447  103.473  111.920  135.316   81.883  160.568   20.429   7.9596   20.195   8.3803 0.2343082 11.55787 
1 1 1   18   14  -27 o   17.568   5.6999 -117.6699  119.756  101.937  220.411 -209.6535  142.648   22.521   9.6068   12.614   6.1371 9.906194 11.39973 
1 1 1   18   15  -27 o   17.853   5.6200   13.682  107.089 -106.5935  226.552   48.289  121.523   18.367   8.5886   17.339   7.2508 1.027615 11.24003 
1 1 1   18   16  -27 o   12.986   4.5690 -399.1468  133.191 -286.9448  191.946 -503.3385  184.968   14.208   6.9566   11.764   5.9253 2.444263 9.138039 
1 1 1   18   17  -27 o   47.942   7.3447  877.924  196.113  756.377  257.504  1045.79  302.617   44.015   10.311   51.870   10.463 -7.855042 14.68933 
1 1 1   18    0  -28 o   10.571   5.3710 -313.1967  146.829 -422.0265  194.673 -169.5979  223.619   8.7996   6.4195   12.343   8.6128 -0.000000 0.000000 
1 1 1   18    1  -28 o   13.139   4.6005 -292.9880  114.119 -296.1306  137.835 -286.1386  203.487   11.245   5.5785   15.032   7.3170 -3.786651 9.200994 
1 1 1   18    2  -28 o   18.486   5.1758   69.231   87.073  131.141  112.554 -23.0458  137.412   20.813   7.4215   16.158   7.2164 4.654951 10.35160 
1 1 1   18    3  -28 o   29.079   5.1222  278.877   87.378  372.540  129.081  199.656  118.713   33.678   6.8691   24.479   7.6002 9.199160 10.24439 
1 1 1   18    4  -28 o   21.166   6.1276   95.062  118.510  133.607  179.950   65.541  157.486   22.637   9.0654   19.695   8.2466 2.942255 12.25513 
1 1 1   18    5  -28 o   21.435   5.9563  120.273  107.769  141.868  158.387  101.656  147.060   22.349   8.6380   20.521   8.2033 1.827604 11.91260 
1 1 1   18    6  -28 o   21.354   5.5334  123.378   91.188   61.963  120.712  205.006  139.165   17.982   7.3432   24.726   8.2795 -6.743721 11.06680 
1 1 1   18    7  -28 o   11.484   4.1210 -598.6508  133.840 -598.5270  210.108 -598.7355  173.626   12.375   6.2436   10.592   5.3804 1.782650 8.242068 
1 1 1   18    8  -28 o   21.653   6.1215  106.452  115.594  193.540  181.463   46.980  149.956   24.600   9.3104   18.706   7.9503 5.894266 12.24302 
1 1 1   18    9  -28 o   18.140   5.5917 -33.5592  114.147 -149.2018  149.003  130.716  177.592   13.997   6.6697   22.284   8.9769 -8.286663 11.18341 
1 1 1   18   10  -28 o   18.912   5.8872   17.480  115.259   59.820  209.665  -0.8560  137.978   21.171   9.2026   16.653   7.3452 4.518654 11.77449 
1 1 1   18   11  -28 f   17.832   5.3818   37.970   98.292   59.734  137.031   14.905  141.069   18.447   7.7056   17.218   7.5152 1.229179 10.76356 
1 1 1   18   12  -28 o   16.355   5.3009 -118.0022  114.808   67.693  180.518 -244.1286  148.773   20.257   8.6689   12.453   6.1030 7.804502 10.60173 
1 1 1   18   13  -28 o   22.732   6.2368  162.612  117.602  202.227  139.598   65.769  218.265   24.171   8.2912   21.292   9.3193 2.879150 12.47368 
1 1 1   18   14  -28 o   13.177   6.6568 -720.8766  138.020 -667.1875  243.545 -746.2776  167.518   13.177   6.6568  ?   ?       ?      ? 
1 1 1   18    0  -29 o   14.906   6.7400   30.553  135.351 -71.2999  201.971  113.586  182.359   12.972   8.8270   16.840   10.188 -0.000000 0.000000 
1 1 1   18    1  -29 o   15.297   4.8930 -63.5253   97.858 -183.7742  147.021   32.126  131.125   13.282   6.4059   17.312   7.3979 -4.029922 9.785943 
1 1 1   18    2  -29 o   13.115   4.4321 -193.4450  100.660 -389.4495  155.286 -51.3977  132.195   11.233   5.6263   14.997   6.8498 -3.764153 8.864226 
1 1 1   18    3  -29 o   35.530   5.5006  435.556  109.705  400.664  159.512  466.875  151.121   33.790   8.2464   37.270   7.2818 -3.480358 11.00128 
1 1 1   18    4  -29 o   47.355   5.0026  690.518  136.821   0.0000   0.0000  690.518  136.821  ?   ?    47.355   5.0026      ?      ? 
1 1 1   18    5  -29 o   28.622   5.5853  287.713   95.655  309.773  129.278  261.024  142.196   30.040   7.4801   27.203   8.2964 2.836674 11.17055 
1 1 1   18    6  -29 o   27.424   5.0655  192.115   95.671   12.149  119.736  509.884  159.105   16.015   6.9579   38.832   7.3637 -22.81681 10.13098 
1 1 1   18    7  -29 o   30.434   6.3421  318.941  117.333  242.133  147.787  449.906  192.980   26.133   8.5233   34.734   9.3937 -8.600664 12.68415 
1 1 1   18    8  -29 o   24.958   6.4908  211.102  114.571  205.836  228.457  212.871  132.427   25.190   10.170   24.726   8.0684 0.4636803 12.98150 
1 1 1   18    9  -29 o   29.878   6.6802  341.017  128.172  311.324  215.410  357.291  159.474   28.423   10.252   31.334   8.5666 -2.911413 13.36040 
1 1 1   18   10  -29 o   15.137   5.4373 -476.2863  168.974 -748.8287  393.766 -414.7706  187.074   17.698   8.8779   12.575   6.2802 5.122552 10.87462 
1 1 1   18   11  -29 f   54.022   5.5211  982.659  148.311  953.523  174.092  1059.76  283.204   54.909   5.4897   53.135   9.5810 1.774128 11.04230 
1 1 1   18    0  -30 o   15.517   6.8116   70.347  131.351  149.042  160.668 -88.2435  228.083   17.638   10.060   13.396   9.1859 -0.000000 0.000000 
1 1 1   18    1  -30 o   17.496   5.3880  -1.5327   98.769  113.200  167.720 -62.4455  122.207   21.015   8.6272   13.976   6.4569 7.039589 10.77592 
1 1 1   18    2  -30 o   37.363   5.5344  510.950  114.265  590.609  145.792  384.095  183.980   43.011   5.8691   31.715   9.3846 11.29600 11.06875 
1 1 1   18    3  -30 o   17.629   5.5626  -3.5603  117.195 -167.7234  213.196   67.527  140.293   16.649   7.9456   18.609   7.7870 -1.960079 11.12514 
1 1 1   18    4  -30 o   14.865   5.0633 -187.7117  120.259 -96.0856  200.197 -239.4402  150.423   17.208   8.0553   12.521   6.1367 4.686966 10.12654 
1 1 1   18    5  -30 o   54.030   6.3407  1057.03  175.763  1055.68  312.644  1057.65  212.527   51.212   10.905   56.848   6.4731 -5.636246 12.68131 
1 1 1   19    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1    0 o   48.346   8.4867  738.264  215.135   0.0000   0.0000  738.264  215.135   48.346   8.4867   48.346   8.4867 -0.000000 0.000000 
1 1 1   19    2    0 o   55.849   9.8923  988.456  289.215  988.456  289.215   0.0000   0.0000   55.849   9.8923   55.849   9.8923 -0.000000 0.000000 
1 1 1   19    3    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    4    0 o  ?   ?  -1037.8610  276.281   0.0000   0.0000 -1037.8610  276.281  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   19    5    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    6    0 o   31.561   15.067  431.078  314.775  431.078  314.775   0.0000   0.0000   31.561   15.067   31.561   15.067 -0.000000 0.000000 
1 1 1   19    7    0 o  ?   ?  -1082.2500  274.051   0.0000   0.0000 -1082.2500  274.051  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   19    8    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    9    0 o  131.015   4.4377  4984.46  334.918  4984.46  334.918   0.0000   0.0000  131.015   4.4377  131.015   4.4377 -0.000000 0.000000 
1 1 1   19   10    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11    0 o   88.933   4.2839  2321.61  217.360  2384.37  317.790  2266.45  297.954   90.045   6.1776   87.822   5.9367 -0.000000 0.000000 
1 1 1   19   12    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   13    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   14    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   15    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   16    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   17    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   18    0 o   14.670   10.030 -162.6284  267.637   0.0000   0.0000 -162.6284  267.637   14.670   10.030   14.670   10.030 -0.000000 0.000000 
1 1 1   19   19    0 o   17.945   11.437   30.512  261.902   0.0000   0.0000   30.512  261.902   17.945   11.437   17.945   11.437 -0.000000 0.000000 
1 1 1   19   20    0 o   93.625   5.0094  2565.32  269.098   0.0000   0.0000  2565.32  269.098   93.625   5.0094   93.625   5.0094 -0.000000 0.000000 
1 1 1   19   21    0 o   76.560   5.8989  1735.11  257.272   0.0000   0.0000  1735.11  257.272   76.560   5.8989   76.560   5.8989 -0.000000 0.000000 
1 1 1   19   22    0 o   11.562   8.2416 -343.4736  243.164   0.0000   0.0000 -343.4736  243.164   11.562   8.2416   11.562   8.2416 -0.000000 0.000000 
1 1 1   19   23    0 o   29.983   13.192  386.698  239.302   0.0000   0.0000  386.698  239.302   29.983   13.192   29.983   13.192 -0.000000 0.000000 
1 1 1   19   24    0 o   51.433   8.7114  841.838  236.483   0.0000   0.0000  841.838  236.483   51.433   8.7114   51.433   8.7114 -0.000000 0.000000 
1 1 1   19   25    0 o   66.836   6.1688  1339.68  233.458   0.0000   0.0000  1339.68  233.458   66.836   6.1688   66.836   6.1688 -0.000000 0.000000 
1 1 1   19   26    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   27    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   28    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   29    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   30    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   31    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   32    0 o   22.103   13.368  212.342  313.814  212.342  313.814   0.0000   0.0000   22.103   13.368   22.103   13.368 -0.000000 0.000000 
1 1 1   19   33    0 o   63.381   9.2432  1320.64  317.340  1320.64  317.340   0.0000   0.0000   63.381   9.2432   63.381   9.2432 -0.000000 0.000000 
1 1 1   19   34    0 o   21.778   13.310  209.944  318.250  209.944  318.250   0.0000   0.0000   21.778   13.310   21.778   13.310 -0.000000 0.000000 
1 1 1   19   35    0 o   38.187   15.286  693.544  327.158  693.544  327.158   0.0000   0.0000   38.187   15.286   38.187   15.286 -0.000000 0.000000 
1 1 1   19   36    0 o   12.424   6.2648 -310.4221  110.913  141.899  256.350 -414.5960  123.024   18.890   11.728   5.9574   4.4105 -0.000000 0.000000 
1 1 1   19   37    0 o   11.824   5.7088 -45.4065  106.113 -60.0468  208.143 -40.2652  123.346   13.250   9.0004   10.399   7.0253 -0.000000 0.000000 
1 1 1   19    0   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   -1 o   15.800   5.5503 -548.1878  177.010 -786.9341  325.472 -447.9118  210.933   17.141   8.5148   14.459   7.1219 2.681957 11.10060 
1 1 1   19    2   -1 o   53.911   9.7197  880.194  291.503  880.194  291.503   0.0000   0.0000   53.911   9.7197  ?   ?       ?      ? 
1 1 1   19    3   -1 o   18.113   8.9255 -703.2827  332.442 -703.2827  332.442   0.0000   0.0000   18.113   8.9255  ?   ?       ?      ? 
1 1 1   19    4   -1 o   65.634   5.4059  1270.15  201.648  1537.28  286.468  1007.79  283.897   72.615   6.8307   58.654   8.3807 13.96131 10.81179 
1 1 1   19    5   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    6   -1 o   15.071   5.3275 -673.8636  184.279 -897.9362  312.337 -554.2136  228.237   15.777   7.9133   14.365   7.1350 1.411874 10.65500 
1 1 1   19    7   -1 o   16.875   8.2738 -907.1246  195.688 -1290.1320  279.303 -537.8395  274.254  ?   ?    16.875   8.2738      ?      ? 
1 1 1   19    8   -1 o  100.835   4.1236  3149.41  224.319  2260.75  354.043  3745.42  289.943   88.022   6.9643  113.648   4.4174 -25.62569 8.247102 
1 1 1   19    9   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11   -1 o   45.852   11.184  648.761  293.540  648.761  293.540   0.0000   0.0000   45.852   11.184  ?   ?       ?      ? 
1 1 1   19   12   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   13   -1 o   86.633   5.8184  2185.57  291.119   0.0000   0.0000  2185.57  291.119  ?   ?    86.633   5.8184      ?      ? 
1 1 1   19   14   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   15   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   16   -1 o   62.341   7.7317  1141.75  278.380  1141.75  278.380   0.0000   0.0000   62.341   7.7317  ?   ?       ?      ? 
1 1 1   19   17   -1 f  110.042   4.5136  3518.85  286.860  3518.85  286.860   0.0000   0.0000  110.042   4.5136  ?   ?       ?      ? 
1 1 1   19   18   -1 o   68.866   6.7774  1390.47  269.558  1390.47  269.558   0.0000   0.0000   68.866   6.7774  ?   ?       ?      ? 
1 1 1   19   19   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   20   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   21   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   22   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   23   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   24   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   25   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   26   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   27   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   28   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   29   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   30   -1 o   13.983   7.0672 -841.1199  276.199   0.0000   0.0000 -841.1199  276.199  ?   ?    13.983   7.0672      ?      ? 
1 1 1   19   31   -1 o   73.237   7.7450  1708.42  327.599   0.0000   0.0000  1708.42  327.599  ?   ?    73.237   7.7450      ?      ? 
1 1 1   19   32   -1 o   63.861   8.8943  1353.95  328.045   0.0000   0.0000  1353.95  328.045  ?   ?    63.861   8.8943      ?      ? 
1 1 1   19   33   -1 o   55.532   7.2315  1097.35  224.474  1197.88  306.828  981.572  329.267   59.767   8.8889   51.296   11.409 8.470554 14.46297 
1 1 1   19   34   -1 o   18.657   6.4275 -390.7189  223.781 -324.8901  303.566 -469.0707  331.184   18.866   9.1249   18.449   9.0546 0.4172096 12.85499 
1 1 1   19   35   -1 o   35.271   7.8336  273.840  121.969  199.932  128.689  926.640  382.458   24.427   7.9529   46.114   13.499 -21.68671 15.66711 
1 1 1   19   36   -1 o   11.212   5.4596 -176.5347  113.565 -176.5347  113.565   0.0000   0.0000   11.212   5.4596  ?   ?       ?      ? 
1 1 1   19   37   -1 o   12.909   4.5709 -296.5496  108.826 -308.5825  125.981 -261.1730  216.012   10.230   5.1154   15.589   7.5766 -5.358911 9.141834 
1 1 1   19    0   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   -2 f   64.179   5.6116  1219.26  203.598  1512.32  289.204  931.304  286.674   72.013   6.9536   56.345   8.8094 15.66815 11.22312 
1 1 1   19    2   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    3   -2 o   20.871   9.9434 -816.5160  230.258 -418.6764  330.913 -1189.9449  320.600   20.871   9.9434  ?   ?       ?      ? 
1 1 1   19    4   -2 o   96.204   3.2392  2602.69  172.061  2958.24  297.402  2423.80  210.950  100.943   5.1013   91.465   3.9934 9.477432 6.478458 
1 1 1   19    5   -2 o   18.709   8.6723 -187.0595  223.150 -187.0595  223.150   0.0000   0.0000   18.709   8.6723  ?   ?       ?      ? 
1 1 1   19    6   -2 f   80.174   4.9928  1884.57  228.362  1531.29  319.368  2254.18  326.661   72.377   7.6402   87.970   6.4295 -15.59334 9.985550 
1 1 1   19    7   -2 o   33.396   9.9670  333.205  206.863  333.205  206.863   0.0000   0.0000   33.396   9.9670  ?   ?       ?      ? 
1 1 1   19    8   -2 o   16.842   8.2635 -545.4745  275.136   0.0000   0.0000 -545.4745  275.136  ?   ?    16.842   8.2635      ?      ? 
1 1 1   19    9   -2 o  109.314   3.3942  3459.47  214.289   0.0000   0.0000  3459.47  214.289  ?   ?   109.314   3.3942      ?      ? 
1 1 1   19   10   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11   -2 f   70.801   7.0767  1464.46  289.374  1464.46  289.374   0.0000   0.0000   70.801   7.0767  ?   ?       ?      ? 
1 1 1   19   12   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   13   -2 o  224.054   3.1790 14533.18  411.365   0.0000   0.0000 14533.18  411.365  ?   ?   224.054   3.1790      ?      ? 
1 1 1   19   14   -2 o   21.187   9.7748 -209.2076  278.611   0.0000   0.0000 -209.2076  278.611  ?   ?    21.187   9.7748      ?      ? 
1 1 1   19   15   -2 o   17.447   8.4819 -463.4085  271.187   0.0000   0.0000 -463.4085  271.187  ?   ?    17.447   8.4819      ?      ? 
1 1 1   19   16   -2 o   29.874   8.0036  197.148  190.383  156.944  268.443  237.834  270.048   28.642   11.197   31.107   11.439 -2.464396 16.00714 
1 1 1   19   17   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   18   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   19   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   20   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   21   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   22   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   23   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   24   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   25   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   26   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   27   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   28   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   29   -2 o   14.694   7.4598 -1117.8710  330.724   0.0000   0.0000 -1117.8710  330.724  ?   ?    14.694   7.4598      ?      ? 
1 1 1   19   30   -2 o   21.924   7.1210 -96.5381  200.993 -58.1857  252.304 -163.1507  332.511   21.269   9.6147   22.579   10.507 -1.310175 14.24209 
1 1 1   19   31   -2 o   30.928   6.6200  207.742  189.224  680.791  250.614 -419.5491  288.593   44.192   10.047   17.663   8.6232 26.52872 13.23992 
1 1 1   19   32   -2 o   41.674   5.3377   81.857  200.272 -753.1082  249.157  1606.15  336.647   13.244   6.6958   70.105   8.3146 -56.86121 10.67546 
1 1 1   19   33   -2 o   52.721   7.4425  956.385  220.666  700.884  285.307  1336.78  348.123   43.117   11.315   62.324   9.6715 -19.20641 14.88499 
1 1 1   19   34   -2 o   21.867   7.2539 -151.0402  225.705 -235.6736  291.923 -25.2561  355.886   19.458   9.2892   24.276   11.144 -4.818424 14.50776 
1 1 1   19   35   -2 o   36.286   6.1896  614.222  126.943  695.705  135.403   22.537  364.870   47.718   4.9131   24.853   11.363 22.86484 12.37926 
1 1 1   19   36   -2 o   16.573   5.2612 -12.7789  100.766   47.135  113.314 -239.2601  220.310   16.932   7.0343   16.214   7.8255 0.7183762 10.52233 
1 1 1   19   37   -2 o   24.325   6.3892  152.883  100.779  103.645  112.841  346.967  224.032   19.114   7.3159   29.535   10.477 -10.42101 12.77850 
1 1 1   19    0   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   -3 f   59.155   8.5223  1025.59  291.162   0.0000   0.0000  1025.59  291.162  ?   ?    59.155   8.5223      ?      ? 
1 1 1   19    2   -3 o   30.298   11.774  177.233  295.501  177.233  295.501   0.0000   0.0000   30.298   11.774  ?   ?       ?      ? 
1 1 1   19    3   -3 o  107.565   5.5161  3362.19  342.683   0.0000   0.0000  3362.19  342.683  ?   ?   107.565   5.5161      ?      ? 
1 1 1   19    4   -3 o   99.683   3.7179  2892.10  213.495  2671.31  303.355  3108.79  300.519   95.881   5.4781  103.485   5.0282 -7.604164 7.435890 
1 1 1   19    5   -3 o   62.028   6.3331  1120.41  226.878  1120.41  226.878   0.0000   0.0000   62.028   6.3331  ?   ?       ?      ? 
1 1 1   19    6   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    7   -3 o   39.367   11.736  467.530  286.927  467.530  286.927   0.0000   0.0000   39.367   11.736  ?   ?       ?      ? 
1 1 1   19    8   -3 f   65.977   7.4140  1272.13  282.508   0.0000   0.0000  1272.13  282.508  ?   ?    65.977   7.4140      ?      ? 
1 1 1   19    9   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10   -3 o   78.777   5.5795  1890.49  212.796  3237.80  320.043  822.881  284.893  105.555   5.2498   51.999   9.8469 53.55658 11.15896 
1 1 1   19   11   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   12   -3 o   61.718   8.8428  1120.96  315.199  1120.96  315.199   0.0000   0.0000   61.718   8.8428  ?   ?       ?      ? 
1 1 1   19   13   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   14   -3 o  114.558   3.5386  3706.40  229.986  4407.12  370.162  3265.82  293.513  123.094   5.2068  106.022   4.7934 17.07267 7.077255 
1 1 1   19   15   -3 o   72.375   6.5852  1531.04  275.259   0.0000   0.0000  1531.04  275.259  ?   ?    72.375   6.5852      ?      ? 
1 1 1   19   16   -3 o   19.159   9.0499 -289.6932  262.932   0.0000   0.0000 -289.6932  262.932  ?   ?    19.159   9.0499      ?      ? 
1 1 1   19   17   -3 o   61.465   7.4702  1110.35  265.182   0.0000   0.0000  1110.35  265.182  ?   ?    61.465   7.4702      ?      ? 
1 1 1   19   18   -3 o   60.844   7.3811  1089.01  259.373   0.0000   0.0000  1089.01  259.373  ?   ?    60.844   7.3811      ?      ? 
1 1 1   19   19   -3 o   14.671   7.3104 -625.3678  247.501   0.0000   0.0000 -625.3678  247.501  ?   ?    14.671   7.3104      ?      ? 
1 1 1   19   20   -3 o   20.297   9.2850 -151.0046  244.125   0.0000   0.0000 -151.0046  244.125  ?   ?    20.297   9.2850      ?      ? 
1 1 1   19   21   -3 f   33.314   10.876  330.201  240.624   0.0000   0.0000  330.201  240.624  ?   ?    33.314   10.876      ?      ? 
1 1 1   19   22   -3 o   23.968   10.035   47.808  233.196   0.0000   0.0000   47.808  233.196  ?   ?    23.968   10.035      ?      ? 
1 1 1   19   23   -3 o  ?   ?  -892.3829  224.129   0.0000   0.0000 -892.3829  224.129  ?   ?   ?   ?       ?      ? 
1 1 1   19   24   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   25   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   26   -3 o   48.983   10.160  776.931  277.987  776.931  277.987   0.0000   0.0000   48.983   10.160  ?   ?       ?      ? 
1 1 1   19   27   -3 o   19.617   6.5610 -276.9064  198.825 -171.4962  269.104 -403.6180  295.044   20.570   9.5310   18.663   9.0193 1.907482 13.12206 
1 1 1   19   28   -3 o   46.205   8.0778  733.329  214.881  821.908  309.944  651.351  298.173   49.083   11.183   43.328   11.659 5.754349 16.15552 
1 1 1   19   29   -3 o   24.003   7.1065 -219.8124  210.676 -812.6758  300.721  351.621  295.237   15.229   7.6556   32.776   11.975 -17.54734 14.21302 
1 1 1   19   30   -3 o   47.762   7.4447  709.687  206.082  414.035  256.768  1244.91  345.476   34.287   11.237   61.237   9.7683 -26.94971 14.88943 
1 1 1   19   31   -3 o   36.001   8.5845  464.676  204.089  409.118  252.759  568.753  345.949   33.746   11.153   38.256   13.053 -4.510002 17.16907 
1 1 1   19   32   -3 o   30.791   8.1270  299.352  223.364  532.244  286.839 -59.4335  356.022   37.356   11.846   24.225   11.130 13.13107 16.25399 
1 1 1   19   33   -3 o   34.581   8.0736  455.734  224.678  713.427  285.230   34.416  364.710   43.538   11.259   25.624   11.574 17.91368 16.14713 
1 1 1   19   34   -3 o   37.602   7.7089  320.205  129.895  228.818  138.394  996.450  376.468   26.013   8.2258   49.191   13.040 -23.17748 15.41788 
1 1 1   19   35   -3 o   17.631   6.0385 -106.0485  126.892 -72.4234  134.845 -366.1652  375.048   14.719   6.7940   20.544   9.9848 -5.825128 12.07699 
1 1 1   19   36   -3 o   17.170   6.0830 -507.2242  198.667 -590.9331  234.270 -292.8787  374.876   13.422   6.7485   20.918   10.123 -7.495636 12.16610 
1 1 1   19   37   -3 o   13.226   4.6964 -259.5092  100.576 -273.7197  112.269 -201.7506  226.342   9.7091   4.8512   16.744   8.0431 -7.034651 9.392864 
1 1 1   19    0   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   -4 o   63.990   8.0176  1198.21  296.307   0.0000   0.0000  1198.21  296.307  ?   ?    63.990   8.0176      ?      ? 
1 1 1   19    2   -4 o  115.035   4.7878  3839.56  318.093  3839.56  318.093   0.0000   0.0000  115.035   4.7878  ?   ?       ?      ? 
1 1 1   19    3   -4 o  101.015   5.3442  2964.22  311.785   0.0000   0.0000  2964.22  311.785  ?   ?   101.015   5.3442      ?      ? 
1 1 1   19    4   -4 o   28.055   8.1051   79.173  212.768 -47.7764  314.247  186.633  289.121   25.775   11.234   30.335   11.686 -4.560162 16.21016 
1 1 1   19    5   -4 o   18.637   6.3665 -463.3667  206.789 -389.5727  300.749 -529.5371  284.791   19.799   9.4457   17.475   8.5386 2.324392 12.73298 
1 1 1   19    6   -4 o   63.854   7.7852  1192.73  287.103   0.0000   0.0000  1192.73  287.103  ?   ?    63.854   7.7852      ?      ? 
1 1 1   19    7   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    8   -4 o   60.596   8.8387  1078.71  309.326  1078.71  309.326   0.0000   0.0000   60.596   8.8387  ?   ?       ?      ? 
1 1 1   19    9   -4 o   77.695   6.3912  1759.34  286.789   0.0000   0.0000  1759.34  286.789  ?   ?    77.695   6.3912      ?      ? 
1 1 1   19   10   -4 o   75.722   5.1562  1666.01  225.495  1666.01  225.495   0.0000   0.0000   75.722   5.1562  ?   ?       ?      ? 
1 1 1   19   11   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   12   -4 o   76.050   6.3751  1687.03  280.009   0.0000   0.0000  1687.03  280.009  ?   ?    76.050   6.3751      ?      ? 
1 1 1   19   13   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   14   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   15   -4 o   15.007   7.5047 -734.8880  271.257 -734.8880  271.257   0.0000   0.0000   15.007   7.5047  ?   ?       ?      ? 
1 1 1   19   16   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   17   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   18   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   19   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   20   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   21   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   22   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   23   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   24   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   25   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   26   -4 f   38.223   9.1032  466.936  239.225  357.998  321.091  602.848  358.647   34.408   12.501   42.038   13.236 -7.629784 18.20642 
1 1 1   19   27   -4 o   24.681   7.8391 -117.8806  235.530 -284.3783  314.021   96.247  356.115   20.855   9.8630   28.508   12.187 -7.652859 15.67817 
1 1 1   19   28   -4 o   29.021   8.0316  112.141  233.434  456.031  308.936 -345.4641  356.372   36.470   12.335   21.572   10.289 14.89809 16.06320 
1 1 1   19   29   -4 o   60.014   6.5446  1181.24  218.911  1352.15  308.251  1007.33  310.941   65.425   8.1579   54.603   10.236 10.82168 13.08924 
1 1 1   19   30   -4 o   28.552   11.567 -559.0338  213.629  215.805  296.655 -1393.6930  307.893   28.552   11.567  ?   ?       ?      ? 
1 1 1   19   31   -4 o   32.017   7.1989 -230.5392  228.559 -997.8762  292.679  968.848  365.913   13.675   6.9501   50.360   12.609 -36.68486 14.39775 
1 1 1   19   32   -4 o   36.910   8.5352  416.236  209.013  203.292  251.077  896.911  377.226   26.752   10.710   47.067   13.293 -20.31455 17.07038 
1 1 1   19   33   -4 o   20.665   6.7832 -124.0128  197.988   5.0283  247.181 -354.9947  330.704   21.727   9.6930   19.603   9.4918 2.124146 13.56646 
1 1 1   19   34   -4 o   25.633   7.4676  161.190  129.004  152.201  136.977  231.730  383.713   22.344   8.1578   28.923   12.510 -6.578207 14.93524 
1 1 1   19   35   -4 o   21.174   6.9474 -10.2301  127.554 -25.0286  135.158  110.288  385.709   15.892   7.1231   26.455   11.930 -10.56269 13.89483 
1 1 1   19   36   -4 f   29.291   7.6368  282.878  129.475  267.464  137.424  404.677  386.305   27.544   8.0996   31.039   12.949 -3.494417 15.27368 
1 1 1   19   37   -4 o   17.362   5.5777 -151.4532  111.541 -274.2238  130.767  176.416  213.699   10.904   5.4133   23.821   9.7539 -12.91691 11.15533 
1 1 1   19    0   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   -5 o   20.156   9.5352 -335.1801  293.846   0.0000   0.0000 -335.1801  293.846  ?   ?    20.156   9.5352      ?      ? 
1 1 1   19    2   -5 o   78.604   5.2595  1898.88  216.171  2869.18  310.179  982.519  301.433   99.372   5.4046   57.835   9.0243 41.53742 10.51893 
1 1 1   19    3   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    4   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    5   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    6   -5 o  ?   ?  -1296.5560  281.675   0.0000   0.0000 -1296.5560  281.675  ?   ?   ?   ?       ?      ? 
1 1 1   19    7   -5 o   78.163   7.8111  1788.14  352.615  1788.14  352.615   0.0000   0.0000   78.163   7.8111  ?   ?       ?      ? 
1 1 1   19    8   -5 o   93.551   5.0410  2541.82  272.366  2541.82  272.366   0.0000   0.0000   93.551   5.0410  ?   ?       ?      ? 
1 1 1   19    9   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   12   -5 o   16.334   8.0592 -591.1975  273.990   0.0000   0.0000 -591.1975  273.990  ?   ?    16.334   8.0592      ?      ? 
1 1 1   19   13   -5 o   47.604   6.4255  677.422  167.336  667.338  210.772  694.614  275.212   47.702   7.6505   47.505   10.326 0.1968727 12.85104 
1 1 1   19   14   -5 o   65.257   7.2689  1247.90  273.957   0.0000   0.0000  1247.90  273.957  ?   ?    65.257   7.2689      ?      ? 
1 1 1   19   15   -5 o   29.112   7.8422  175.166  185.980  261.247  261.730   87.371  264.321   31.631   11.313   26.592   10.863 5.039351 15.68445 
1 1 1   19   16   -5 o   42.676   10.657  565.346  261.876   0.0000   0.0000  565.346  261.876  ?   ?    42.676   10.657      ?      ? 
1 1 1   19   17   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   18   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   19   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   20   -5 o   50.016   6.7758  762.012  186.638  855.579  290.602  696.322  243.494   52.537   9.9416   47.495   9.2091 5.041332 13.55150 
1 1 1   19   21   -5 o   38.487   6.7713  472.618  181.736   32.774  282.497  783.180  237.377   25.694   10.916   51.280   8.0151 -25.58549 13.54267 
1 1 1   19   22   -5 o   37.466   10.389  442.985  232.648   0.0000   0.0000  442.985  232.648  ?   ?    37.466   10.389      ?      ? 
1 1 1   19   23   -5 o   25.051   6.4707 -67.4643  183.477 -985.2665  320.784  378.771  223.676   15.372   7.7504   34.730   10.364 -19.35825 12.94135 
1 1 1   19   24   -5 o   14.595   5.1759 -654.3557  178.052 -894.2298  309.243 -535.4011  217.770   15.400   7.7446   13.790   6.8689 1.610233 10.35181 
1 1 1   19   25   -5 o   43.024   7.2075  583.748  221.234  1099.45  305.295   13.462  321.044   59.836   8.8343   26.212   11.391 33.62358 14.41496 
1 1 1   19   26   -5 o   50.807   7.7506  852.359  220.333  834.279  301.005  873.229  323.395   50.368   10.679   51.246   11.236 -0.8778992 15.50122 
1 1 1   19   27   -5 o   48.610   11.458 -442.8242  214.708 -1507.2150  292.294  804.552  316.423  ?   ?    48.610   11.458      ?      ? 
1 1 1   19   28   -5 o   64.919   6.7899  1353.58  253.924  1236.22  346.914  1489.01  372.674   61.820   9.7164   68.018   9.4869 -6.197338 13.57971 
1 1 1   19   29   -5 f   42.835   8.8097  691.420  251.481  949.625  338.776  374.507  375.320   51.750   11.619   33.920   13.245 17.83023 17.61930 
1 1 1   19   30   -5 o   27.878   11.820  159.853  330.135  159.853  330.135   0.0000   0.0000   27.878   11.820  ?   ?       ?      ? 
1 1 1   19   31   -5 o   28.273   8.2342  158.930  234.630  405.481  325.577 -107.4765  338.432   33.391   12.507   23.155   10.714 10.23676 16.46846 
1 1 1   19   32   -5 o   29.627   8.7770  246.556  248.387  193.961  321.483  324.454  391.247   27.779   11.715   31.475   13.073 -3.695913 17.55408 
1 1 1   19   33   -5 o   32.743   8.6839  301.597  220.502   96.848  267.285  737.842  390.148   24.237   10.462   41.250   13.863 -17.01384 17.36773 
1 1 1   19   34   -5 f   34.102   7.0846  427.741  219.986  818.190  265.049 -436.7481  394.388   47.577   9.9652   20.628   10.073 26.94836 14.16928 
1 1 1   19   35   -5 o   21.450   6.4314  107.606  111.378  143.040  116.153 -296.9403  392.470   21.337   7.5466   21.563   10.416 -0.2259293 12.86271 
1 1 1   19   36   -5 o   9.0589   4.5917 -406.3138  121.967 -406.3138  121.967   0.0000   0.0000   9.0589   4.5917  ?   ?       ?      ? 
1 1 1   19    0   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   -6 o   70.281   6.8579  1440.74  278.363   0.0000   0.0000  1440.74  278.363  ?   ?    70.281   6.8579      ?      ? 
1 1 1   19    2   -6 o   47.897   6.9111  694.921  184.421  618.698  250.833  784.605  272.082   44.967   9.9242   50.827   9.6211 -5.859684 13.82226 
1 1 1   19    3   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    4   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    5   -6 o   28.090   7.4365   10.237  192.452 -302.0477  256.543  412.170  291.046   18.719   8.8710   37.462   11.938 -18.74316 14.87296 
1 1 1   19    6   -6 o   15.228   7.6272 -799.0718  285.288   0.0000   0.0000 -799.0718  285.288  ?   ?    15.228   7.6272      ?      ? 
1 1 1   19    7   -6 o  ?   ?  -1120.7600  284.708   0.0000   0.0000 -1120.7600  284.708  ?   ?   ?   ?       ?      ? 
1 1 1   19    8   -6 o   48.648   7.2571  719.988  197.187  642.253  267.719  812.165  291.529   45.720   10.376   51.575   10.149 -5.855347 14.51428 
1 1 1   19    9   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11   -6 o   88.417   4.0220  2284.48  201.784  1762.15  279.338  2854.45  291.800   77.736   6.2219   99.097   5.0985 -21.36015 8.044012 
1 1 1   19   12   -6 o   56.857   8.5292  951.409  280.077   0.0000   0.0000  951.409  280.077  ?   ?    56.857   8.5292      ?      ? 
1 1 1   19   13   -6 o   65.897   7.3014  1272.39  277.882   0.0000   0.0000  1272.39  277.882  ?   ?    65.897   7.3014      ?      ? 
1 1 1   19   14   -6 o  100.242   4.9193  2922.04  284.801   0.0000   0.0000  2922.04  284.801  ?   ?   100.242   4.9193      ?      ? 
1 1 1   19   15   -6 o   67.760   6.9431  1345.48  271.716   0.0000   0.0000  1345.48  271.716  ?   ?    67.760   6.9431      ?      ? 
1 1 1   19   16   -6 o  ?   ?  -1391.5220  257.251   0.0000   0.0000 -1391.5220  257.251  ?   ?   ?   ?       ?      ? 
1 1 1   19   17   -6 o   15.356   7.6083 -581.0963  253.402   0.0000   0.0000 -581.0963  253.402  ?   ?    15.356   7.6083      ?      ? 
1 1 1   19   18   -6 o   56.960   7.7567  958.389  255.172   0.0000   0.0000  958.389  255.172  ?   ?    56.960   7.7567      ?      ? 
1 1 1   19   19   -6 o   21.866   9.7056 -70.5443  244.631   0.0000   0.0000 -70.5443  244.631  ?   ?    21.866   9.7056      ?      ? 
1 1 1   19   20   -6 o   21.693   9.6170 -64.5646  239.475   0.0000   0.0000 -64.5646  239.475  ?   ?    21.693   9.6170      ?      ? 
1 1 1   19   21   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   22   -6 o   55.449   11.001  977.175  339.874   0.0000   0.0000  977.175  339.874  ?   ?    55.449   11.001      ?      ? 
1 1 1   19   23   -6 o   27.020   12.088 -91.4197  387.366   0.0000   0.0000 -91.4197  387.366  ?   ?    27.020   12.088      ?      ? 
1 1 1   19   24   -6 o   81.199   8.3273  2002.63  390.519   0.0000   0.0000  2002.63  390.519  ?   ?    81.199   8.3273      ?      ? 
1 1 1   19   25   -6 o   64.221   5.1435  1218.00  190.777   0.0000   0.0000  1218.00  190.777  ?   ?    64.221   5.1435      ?      ? 
1 1 1   19   26   -6 o   33.995   9.2331  374.228  185.971   0.0000   0.0000  374.228  185.971  ?   ?    33.995   9.2331      ?      ? 
1 1 1   19   27   -6 o   52.740   6.4371  835.154  177.910  746.509  211.623  1048.81  328.543   49.301   7.4323   56.180   10.512 -6.879665 12.87413 
1 1 1   19   28   -6 o   45.176   7.8400  640.419  251.058  1304.23  374.501   98.596  338.344   62.891   10.311   27.462   11.813 35.42876 15.67990 
1 1 1   19   29   -6 o   47.781   8.7812  857.970  251.801  632.972  366.728  1058.65  346.345   40.734   13.433   54.828   11.313 -14.09377 17.56239 
1 1 1   19   30   -6 f   40.393   9.1385  637.118  267.816  912.859  359.813  294.590  401.027   49.046   12.627   31.740   13.214 17.30544 18.27692 
1 1 1   19   31   -6 o   37.461   8.5708  475.197  181.416  475.197  181.416   0.0000   0.0000   37.461   8.5708  ?   ?       ?      ? 
1 1 1   19   32   -6 f   16.426   7.8079 -186.7607  201.660 -186.7607  201.660   0.0000   0.0000   16.426   7.8079  ?   ?       ?      ? 
1 1 1   19   33   -6 o   37.501   8.7930  556.341  246.148  852.223  345.167  250.164  351.121   45.948   12.620   29.055   12.247 16.89306 17.58605 
1 1 1   19   34   -6 o   39.865   9.2547  655.599  237.966  563.626  295.619  824.903  401.085   37.176   12.051   42.553   14.049 -5.376240 18.50947 
1 1 1   19   35   -6 o   28.235   7.6979  189.226  112.240  156.074  117.431  539.531  381.725   21.971   7.6006   34.499   13.389 -12.52829 15.39579 
1 1 1   19   36   -6 o   25.635   7.3391  174.840  117.482  154.385  124.181  349.227  362.590   21.780   7.7923   29.489   12.439 -7.709343 14.67816 
1 1 1   19    0   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   -7 o  140.281   3.6059  5698.94  292.142   0.0000   0.0000  5698.94  292.142  ?   ?   140.281   3.6059      ?      ? 
1 1 1   19    2   -7 o   46.919   6.7647  676.334  179.645  470.148  257.270  872.530  250.960   39.250   10.940   54.588   7.9602 -15.33727 13.52938 
1 1 1   19    3   -7 o   32.698   6.5447  179.103  176.146  670.987  255.378 -267.2703  243.277   46.880   9.7499   18.515   8.7335 28.36474 13.08946 
1 1 1   19    4   -7 o   27.569   11.610   38.238  315.006   38.238  315.006   0.0000   0.0000   27.569   11.610  ?   ?       ?      ? 
1 1 1   19    5   -7 f  102.739   4.7093  3063.39  279.433  3063.39  279.433   0.0000   0.0000  102.739   4.7093  ?   ?       ?      ? 
1 1 1   19    6   -7 o   71.077   5.0125  1605.27  185.672  871.351  273.401  2233.50  252.950   54.459   8.6924   87.694   4.9943 -33.23484 10.02505 
1 1 1   19    7   -7 o   66.660   6.3647  1295.36  245.033   0.0000   0.0000  1295.36  245.033  ?   ?    66.660   6.3647      ?      ? 
1 1 1   19    8   -7 o   25.737   10.538   74.961  249.419   0.0000   0.0000   74.961  249.419  ?   ?    25.737   10.538      ?      ? 
1 1 1   19    9   -7 o   85.953   6.6368  2156.54  329.459  2156.54  329.459   0.0000   0.0000   85.953   6.6368  ?   ?       ?      ? 
1 1 1   19   10   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   12   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   13   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   14   -7 o   25.488   10.844   16.425  279.474   16.425  279.474   0.0000   0.0000   25.488   10.844  ?   ?       ?      ? 
1 1 1   19   15   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   16   -7 o   17.223   8.5903 -880.8867  345.416 -880.8867  345.416   0.0000   0.0000   17.223   8.5903  ?   ?       ?      ? 
1 1 1   19   17   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   18   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   19   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   20   -7 o   78.714   4.9159  1731.26  217.273  1374.62  272.499  2353.69  359.997   68.203   6.9180   89.225   6.9860 -21.02238 9.831699 
1 1 1   19   21   -7 o  ?   ?  -1528.6240  343.648   0.0000   0.0000 -1528.6240  343.648  ?   ?   ?   ?       ?      ? 
1 1 1   19   22   -7 o   17.706   8.0034 -82.6383  174.767   0.0000   0.0000 -82.6383  174.767  ?   ?    17.706   8.0034      ?      ? 
1 1 1   19   23   -7 o   53.902   5.6227  857.503  175.039   0.0000   0.0000  857.503  175.039  ?   ?    53.902   5.6227      ?      ? 
1 1 1   19   24   -7 o   40.369   7.2076  598.614  181.127  760.977  213.314  179.050  342.905   50.267   7.3476   30.470   12.402 19.79781 14.41519 
1 1 1   19   25   -7 o   45.241   12.594  699.969  341.188   0.0000   0.0000  699.969  341.188  ?   ?    45.241   12.594      ?      ? 
1 1 1   19   26   -7 o   38.582   8.6688  485.233  255.368   40.500  390.865  816.454  337.315   28.449   12.461   48.714   12.055 -20.26533 17.33759 
1 1 1   19   27   -7 o   26.995   8.0432   71.228  167.699   18.513  184.676  319.041  400.410   20.311   8.7320   33.679   13.510 -13.36843 16.08647 
1 1 1   19   28   -7 o   34.388   9.2418  395.910  187.485  395.910  187.485   0.0000   0.0000   34.388   9.2418  ?   ?       ?      ? 
1 1 1   19   29   -7 o   40.110   8.2323  528.698  184.312  528.698  184.312   0.0000   0.0000   40.110   8.2323  ?   ?       ?      ? 
1 1 1   19   30   -7 o   56.425   8.1884  1157.96  257.874  1160.98  367.571  1155.02  361.873   56.410   11.667   56.439   11.492 -0.2960968E-01 16.37683 
1 1 1   19   31   -7 o   42.061   7.5988  692.758  183.483  764.076  212.961  487.307  361.456   48.811   7.5543   35.311   13.187 13.50035 15.19759 
1 1 1   19   32   -7 o   34.616   8.9801  447.370  268.413  735.880  355.094   62.774  409.982   42.211   13.151   27.021   12.232 15.19047 17.96018 
1 1 1   19   33   -7 o   24.202   7.3894  109.751  182.989  190.518  204.814 -209.7888  407.384   25.145   9.7938   23.258   11.068 1.886574 14.77878 
1 1 1   19   34   -7 o   20.391   6.9623 -280.8008  235.149 -308.4863  295.301 -232.8225  388.741   18.544   8.9767   22.238   10.645 -3.694202 13.92457 
1 1 1   19   35   -7 o   27.521   6.3991  299.542  130.100  373.513  143.763 -35.0823  305.770   32.907   7.7009   22.136   10.222 10.77101 12.79828 
1 1 1   19   36   -7 o   18.461   6.0939 -29.5737  129.147  -3.0484  141.354 -163.5540  317.687   16.561   7.3631   20.361   9.7121 -3.799410 12.18773 
1 1 1   19    0   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   -8 o   44.976   10.193  620.750  258.655   0.0000   0.0000  620.750  258.655  ?   ?    44.976   10.193      ?      ? 
1 1 1   19    2   -8 o   54.598   6.0818  904.647  182.685  698.387  261.769  1100.49  255.073   47.825   9.8064   61.371   7.1964 -13.54645 12.16364 
1 1 1   19    3   -8 o   28.633   6.7081   40.882  180.188 -463.2863  261.283  498.106  248.822   16.978   8.2703   40.287   10.564 -23.30902 13.41622 
1 1 1   19    4   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    5   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    6   -8 o   43.417   8.6651  572.880  209.668  572.880  209.668   0.0000   0.0000   43.417   8.6651  ?   ?       ?      ? 
1 1 1   19    7   -8 o  135.082   3.7501  5287.30  292.567   0.0000   0.0000  5287.30  292.567  ?   ?   135.082   3.7501      ?      ? 
1 1 1   19    8   -8 o   70.880   6.3545  1465.37  260.128   0.0000   0.0000  1465.37  260.128  ?   ?    70.880   6.3545      ?      ? 
1 1 1   19    9   -8 o   33.086   11.678  291.223  277.982  291.223  277.982   0.0000   0.0000   33.086   11.678  ?   ?       ?      ? 
1 1 1   19   10   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11   -8 o  103.417   4.4687  3105.42  266.906   0.0000   0.0000  3105.42  266.906  ?   ?   103.417   4.4687      ?      ? 
1 1 1   19   12   -8 o   58.763   5.6933  1025.75  189.750  955.961  291.530  1077.04  249.940   56.897   8.8717   60.630   7.1378 -3.732685 11.38667 
1 1 1   19   13   -8 o   61.905   6.8979  1122.51  246.619   0.0000   0.0000  1122.51  246.619  ?   ?    61.905   6.8979      ?      ? 
1 1 1   19   14   -8 o   58.741   5.9728  1093.63  184.872  773.459  284.495  1327.65  243.226   50.094   10.180   67.388   6.2495 -17.29324 11.94559 
1 1 1   19   15   -8 o   71.255   5.8935  1483.45  242.537   0.0000   0.0000  1483.45  242.537  ?   ?    71.255   5.8935      ?      ? 
1 1 1   19   16   -8 o   42.307   7.3588  546.710  177.509  649.234  273.073  471.688  233.595   45.640   10.568   38.974   10.243 6.665947 14.71768 
1 1 1   19   17   -8 o   90.257   4.0045  2367.24  208.745   0.0000   0.0000  2367.24  208.745  ?   ?    90.257   4.0045      ?      ? 
1 1 1   19   18   -8 o   75.957   4.2402  1751.30  178.071  1441.07  280.444  1960.87  230.499   69.925   6.9443   81.989   4.8677 -12.06454 8.480476 
1 1 1   19   19   -8 o   31.021   7.2014  174.398  169.215  541.602  271.657 -58.4079  216.304   41.393   11.125   20.650   9.1479 20.74300 14.40286 
1 1 1   19   20   -8 o   40.319   7.3164  565.943  181.826  210.043  335.503  713.942  216.353   31.661   12.475   48.978   7.6485 -17.31729 14.63278 
1 1 1   19   21   -8 o   35.263   7.0942  385.668  153.941  491.564  223.074  289.387  212.706   39.414   9.8323   31.112   10.229 8.301765 14.18837 
1 1 1   19   22   -8 o   30.215   8.1758  224.092  185.958  241.227  217.734  177.901  357.495   29.262   10.334   31.167   12.672 -1.904633 16.35155 
1 1 1   19   23   -8 o   78.090   5.6898  1848.62  255.420  2065.55  364.039  1638.27  358.463   82.798   7.6128   73.382   8.4581 9.416122 11.37953 
1 1 1   19   24   -8 o   22.317   7.1018 -40.7619  161.844 -28.6007  182.793 -84.8846  348.178   19.279   8.4810   25.355   11.394 -6.075428 14.20355 
1 1 1   19   25   -8 o   23.461   7.2743 -175.2422  160.755 -297.0527  180.787  284.844  351.353   14.189   6.9047   32.732   12.806 -18.54230 14.54853 
1 1 1   19   26   -8 f   29.670   9.3722  281.554  179.691  281.554  179.691   0.0000   0.0000   29.670   9.3722  ?   ?       ?      ? 
1 1 1   19   27   -8 o   24.720   6.9328   52.255  186.307  306.388  215.808 -691.3559  369.156   30.688   10.310   18.752   9.2712 11.93656 13.86562 
1 1 1   19   28   -8 o   43.175   8.8488  664.001  265.834  1115.43  383.437  246.202  368.879   55.519   12.284   30.831   12.741 24.68744 17.69767 
1 1 1   19   29   -8 o   12.026   6.0385 -501.7371  184.276 -501.7371  184.276   0.0000   0.0000   12.026   6.0385  ?   ?       ?      ? 
1 1 1   19   30   -8 o   28.889   8.0384  232.926  224.066  421.398  264.334 -248.2126  422.342   33.929   11.411   23.849   11.325 10.08054 16.07689 
1 1 1   19   31   -8 o   24.695   7.8000   19.704  168.603 -30.6640  184.224  279.492  418.386   18.511   8.3052   30.878   13.205 -12.36699 15.59999 
1 1 1   19   32   -8 o   33.254   8.2663  420.290  184.571  441.084  205.924  335.334  416.227   34.982   9.8007   31.527   13.314 3.454285 16.53268 
1 1 1   19   33   -8 o   30.468   8.8530  299.097  243.790  186.142  307.984  488.629  398.948   26.798   11.392   34.139   13.555 -7.341370 17.70607 
1 1 1   19   34   -8 o   20.378   6.8377 -178.0567  216.756 -189.0056  302.045 -166.4311  311.240   20.088   9.5506   20.668   9.7880 -0.5802460 13.67549 
1 1 1   19   35   -8 o   18.712   6.3596 -371.7520  132.010 -498.6360  144.577  264.400  323.726   9.6776   4.9151   27.745   11.731 -18.06774 12.71915 
1 1 1   19   36   -8 o   22.311   6.4610  116.187  131.206   34.775  166.250  250.634  213.645   18.583   8.1335   26.039   10.041 -7.455675 12.92206 
1 1 1   19    0   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   -9 o  117.530   4.2505  4005.96  288.519   0.0000   0.0000  4005.96  288.519  ?   ?   117.530   4.2505      ?      ? 
1 1 1   19    2   -9 o   62.411   6.2059  1280.40  191.962  569.553  275.772  1948.61  267.372   42.987   11.048   81.835   5.6571 -38.84784 12.41189 
1 1 1   19    3   -9 o   37.791   5.2206  199.130  188.331 -795.8203  274.619  1082.53  258.767   14.749   7.4008   60.833   7.3652 -46.08364 10.44121 
1 1 1   19    4   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    5   -9 o   81.345   6.1630  1928.61  289.540  1928.61  289.540   0.0000   0.0000   81.345   6.1630  ?   ?       ?      ? 
1 1 1   19    6   -9 o   65.137   7.6038  1242.89  286.050  1242.89  286.050   0.0000   0.0000   65.137   7.6038  ?   ?       ?      ? 
1 1 1   19    7   -9 o   89.578   5.3021  2333.80  274.306   0.0000   0.0000  2333.80  274.306  ?   ?    89.578   5.3021      ?      ? 
1 1 1   19    8   -9 o   75.404   6.5226  1660.18  284.056  1660.18  284.056   0.0000   0.0000   75.404   6.5226  ?   ?       ?      ? 
1 1 1   19    9   -9 o   17.530   8.5270 -474.0478  275.075 -474.0478  275.075   0.0000   0.0000   17.530   8.5270  ?   ?       ?      ? 
1 1 1   19   10   -9 o   51.844   8.5923  792.167  257.275   0.0000   0.0000  792.167  257.275  ?   ?    51.844   8.5923      ?      ? 
1 1 1   19   11   -9 o  116.240   3.0312  3909.07  203.075  4132.38  299.225  3718.39  276.502  119.299   4.3429  113.181   4.2300 6.117752 6.062445 
1 1 1   19   12   -9 o   49.938   6.7104  748.414  187.155  1102.30  279.356  460.228  252.093   61.206   7.9028   38.670   10.847 22.53604 13.42089 
1 1 1   19   13   -9 o   53.132   6.8593  827.481  210.486   0.0000   0.0000  827.481  210.486  ?   ?    53.132   6.8593      ?      ? 
1 1 1   19   14   -9 o   73.801   5.0838  1591.20  205.796  1629.93  352.643  1571.20  253.427   74.283   8.2197   73.319   5.9848 0.9639282 10.16768 
1 1 1   19   15   -9 o   79.618   4.4284  1843.51  203.632   0.0000   0.0000  1843.51  203.632  ?   ?    79.618   4.4284      ?      ? 
1 1 1   19   16   -9 o  ?   ?  -815.1602  191.853   0.0000   0.0000 -815.1602  191.853  ?   ?   ?   ?       ?      ? 
1 1 1   19   17   -9 o   79.873   4.3975  1857.30  202.857   0.0000   0.0000  1857.30  202.857  ?   ?    79.873   4.3975      ?      ? 
1 1 1   19   18   -9 o   22.922   7.0604 -48.5547  173.275   63.865  274.593 -122.9381  223.361   26.150   10.914   19.695   8.9598 6.454939 14.12085 
1 1 1   19   19   -9 o   63.847   9.2954  1228.95  342.764  1228.95  342.764   0.0000   0.0000   63.847   9.2954  ?   ?       ?      ? 
1 1 1   19   20   -9 o   79.369   7.2640  2095.83  291.728  2866.88  396.551  1186.29  430.692   98.289   6.9857   60.449   12.738 37.84023 14.52809 
1 1 1   19   21   -9 o   75.102   5.4734  1601.57  199.440  1529.92  225.230  1861.81  429.224   72.121   5.4073   78.082   9.5180 -5.960770 10.94676 
1 1 1   19   22   -9 f   37.155   6.7075  447.521  144.828  372.266  223.104  502.330  190.398   34.304   10.376   40.006   8.5025 -5.702248 13.41506 
1 1 1   19   23   -9 o   15.113   7.3378 -535.0429  135.182 -710.4933  182.506 -321.7813  201.213  ?   ?    15.113   7.3378      ?      ? 
1 1 1   19   24   -9 o   17.341   7.9834 -117.7400  184.458 -117.7400  184.458   0.0000   0.0000   17.341   7.9834  ?   ?       ?      ? 
1 1 1   19   25   -9 o   26.596   10.024  187.458  209.775  187.458  209.775   0.0000   0.0000   26.596   10.024  ?   ?       ?      ? 
1 1 1   19   26   -9 o  ?   ?  -741.2922  176.344   0.0000   0.0000 -741.2922  176.344  ?   ?   ?   ?       ?      ? 
1 1 1   19   27   -9 o   47.331   8.2829  738.138  191.673  696.700  214.281  904.015  428.721   46.406   8.2997   48.255   14.337 -1.848385 16.56571 
1 1 1   19   28   -9 o   45.998   8.1437  770.934  191.443  786.981  214.063  706.818  427.888   50.071   7.4024   41.925   14.508 8.145184 16.28747 
1 1 1   19   29   -9 o   21.389   6.3937   63.800  135.204   22.654  214.367   90.980  174.229   21.227   9.2646   21.552   8.8139 -0.3251038 12.78742 
1 1 1   19   30   -9 o   37.534   8.1761  203.109  259.325 -397.5779  325.588  1245.35  428.874   19.152   9.3070   55.917   13.445 -36.76505 16.35230 
1 1 1   19   31   -9 o   34.571   12.491 -269.5111  241.878  466.489  319.965 -1250.9871  369.490   34.571   12.491  ?   ?       ?      ? 
1 1 1   19   32   -9 f   29.848   8.6041  296.064  233.177  249.898  315.782  351.419  345.781   28.522   11.787   31.174   12.537 -2.651230 17.20828 
1 1 1   19   33   -9 o   39.661   8.7890  656.296  224.172  679.668  313.889  631.965  320.260   40.541   12.318   38.781   12.540 1.759315 17.57791 
1 1 1   19   34   -9 o   9.5363   4.8073 -363.5875  123.131   0.0000   0.0000 -363.5875  123.131  ?   ?    9.5363   4.8073      ?      ? 
1 1 1   19   35   -9 o   25.063   7.5007  168.331  177.332  284.018  309.413  111.743  216.400   27.808   11.594   22.317   9.5195 5.490656 15.00149 
1 1 1   19    0  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1  -10 o   53.029   6.5247  847.999  192.737  668.472  269.482  1036.00  275.769   46.636   10.282   59.422   8.0356 -12.78583 13.04938 
1 1 1   19    2  -10 o   33.643   6.5392  170.906  189.266 -394.2582  267.154  740.394  268.174   18.050   8.6879   49.236   9.7757 -31.18513 13.07839 
1 1 1   19    3  -10 o   18.466   6.1908 -460.1831  187.899 -86.3307  268.412 -819.4523  263.125   22.885   10.162   14.046   7.0741 8.838577 12.38159 
1 1 1   19    4  -10 o   60.223   6.3152  1225.86  195.033  2345.31  283.692  222.618  268.564   89.779   5.4713   30.666   11.384 59.11217 12.63039 
1 1 1   19    5  -10 o  110.822   3.5744  3553.18  223.479  3647.85  358.584  3493.05  285.764  111.949   5.5461  109.695   4.5106 2.254341 7.148762 
1 1 1   19    6  -10 o   73.441   6.5113  1574.90  276.176  1574.90  276.176   0.0000   0.0000   73.441   6.5113  ?   ?       ?      ? 
1 1 1   19    7  -10 o   14.273   7.1807 -812.6461  267.170 -812.6461  267.170   0.0000   0.0000   14.273   7.1807  ?   ?       ?      ? 
1 1 1   19    8  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    9  -10 o   57.628   8.4171  978.446  280.144  978.446  280.144   0.0000   0.0000   57.628   8.4171  ?   ?       ?      ? 
1 1 1   19   10  -10 o   57.469   7.2050  858.915  227.283  318.638  278.521  1935.82  393.222   33.907   11.707   81.031   8.4024 -47.12363 14.40995 
1 1 1   19   11  -10 o   79.478   4.8822  1837.56  224.104   0.0000   0.0000  1837.56  224.104  ?   ?    79.478   4.8822      ?      ? 
1 1 1   19   12  -10 o   59.961   7.2562  1152.30  233.474  785.564  352.344  1439.37  311.738   49.996   12.289   69.927   7.7189 -19.93189 14.51243 
1 1 1   19   13  -10 o  140.133   2.9386  5687.44  237.833   0.0000   0.0000  5687.44  237.833  ?   ?   140.133   2.9386      ?      ? 
1 1 1   19   14  -10 o   50.745   7.1717  757.526  210.183   0.0000   0.0000  757.526  210.183  ?   ?    50.745   7.1717      ?      ? 
1 1 1   19   15  -10 o  104.380   3.3121  3154.38  198.710  3357.84  299.152  2993.72  265.826  107.348   4.8252  101.413   4.5386 5.934731 6.624295 
1 1 1   19   16  -10 o   30.134   7.7328 -89.6492  218.657 -522.6961  280.256  584.046  349.558   17.181   8.4111   43.087   12.978 -25.90596 15.46559 
1 1 1   19   17  -10 o   32.749   11.386  303.107  263.689  303.107  263.689   0.0000   0.0000   32.749   11.386  ?   ?       ?      ? 
1 1 1   19   18  -10 o   27.743   8.1191  109.917  195.153  144.919  225.971   7.2056  387.093   26.466   10.293   29.021   12.559 -2.555372 16.23821 
1 1 1   19   19  -10 o   36.536   9.1397  418.476  192.372  418.476  192.372   0.0000   0.0000   36.536   9.1397  ?   ?       ?      ? 
1 1 1   19   20  -10 o   60.909   4.3718  1125.52  148.942  1253.73  195.712  949.079  229.593   65.349   5.1855   56.469   7.0399 8.879856 8.743526 
1 1 1   19   21  -10 o   35.676   5.9910  394.922  134.821  626.989  190.273  160.931  191.060   45.780   7.1963   25.572   9.5801 20.20880 11.98190 
1 1 1   19   22  -10 o   70.050   5.4464  1449.89  220.345  1449.89  220.345   0.0000   0.0000   70.050   5.4464  ?   ?       ?      ? 
1 1 1   19   23  -10 o   52.428   6.1659  820.594  186.700  820.594  186.700   0.0000   0.0000   52.428   6.1659  ?   ?       ?      ? 
1 1 1   19   24  -10 o   22.504   6.2667   56.769  136.331 -165.9019  208.985  221.725  179.874   17.742   8.2807   27.265   9.4082 -9.522541 12.53333 
1 1 1   19   25  -10 o   20.147   6.9353 -522.7183  253.537 -610.2771  336.985 -408.5016  384.880   18.301   9.0121   21.992   10.544 -3.690908 13.87070 
1 1 1   19   26  -10 o   37.365   7.1463  546.730  164.420  643.127  181.873  115.562  384.646   45.766   6.8808   28.965   12.527 16.80133 14.29251 
1 1 1   19   27  -10 o   51.857   8.5102  954.816  248.501  827.152  327.486  1128.10  381.542   47.824   11.904   55.890   12.165 -8.066124 17.02035 
1 1 1   19   28  -10 o   35.668   7.6539  418.889  151.198  527.077  322.256  388.351  171.213   37.391   12.599   33.945   8.6947 3.445770 15.30772 
1 1 1   19   29  -10 o   58.071   7.6160  1156.26  245.529  639.067  321.278  1882.45  380.697   40.556   12.489   75.587   8.7206 -35.03152 15.23194 
1 1 1   19   30  -10 o   31.839   7.1026  282.942  102.827  493.107  317.635  258.338  108.679   35.536   12.489   28.142   6.7693 7.394613 14.20514 
1 1 1   19   31  -10 o   27.453   7.7893  224.081  180.472  254.883  313.470  208.809  220.722   28.767   11.800   26.139   10.171 2.627863 15.57855 
1 1 1   19   32  -10 o   30.421   6.4690  301.498  110.160   0.0000   0.0000  301.498  110.160  ?   ?    30.421   6.4690      ?      ? 
1 1 1   19   33  -10 o   21.136   8.4605  113.488  156.658   0.0000   0.0000  113.488  156.658  ?   ?    21.136   8.4605      ?      ? 
1 1 1   19   34  -10 o   23.631   7.1595  -2.8891   99.508  529.582  354.325 -48.4813  103.681   34.065   12.982   13.197   6.0422 20.86828 14.31898 
1 1 1   19   35  -10 o   23.657   7.1281   36.509   92.036  534.374  351.065  -0.2347   95.372   33.282   12.861   14.033   6.1506 19.24951 14.25630 
1 1 1   19    0  -11 o   12.888   9.2345 -508.0436  321.327   0.0000   0.0000 -508.0436  321.327   12.888   9.2345   12.888   9.2345 -0.000000 0.000000 
1 1 1   19    1  -11 o   59.733   6.2548  1015.18  205.267  1418.34  330.292  761.494  262.009   69.464   8.2329   50.001   9.4185 19.46311 12.50952 
1 1 1   19    2  -11 o   39.901   5.7177  353.657  185.984  1119.27  267.579 -361.9213  258.688   61.798   7.4971   18.003   8.6348 43.79527 11.43532 
1 1 1   19    3  -11 o   52.654   6.5725  934.460  187.725  306.537  271.731  1507.78  259.647   33.425   11.562   71.883   6.2542 -38.45839 13.14499 
1 1 1   19    4  -11 o   62.811   6.0998  1304.55  189.639  615.137  277.061  1912.23  260.120   44.586   10.860   81.037   5.5578 -36.45093 12.19963 
1 1 1   19    5  -11 f   54.506   7.7766  933.080  239.682  569.649  342.339  1282.52  335.683   43.071   12.814   65.941   8.8143 -22.87030 15.55321 
1 1 1   19    6  -11 o   67.410   5.6719  1335.48  216.975  1333.39  281.860  1338.52  339.932   67.457   7.2347   67.363   8.7374 0.9406281E-01 11.34386 
1 1 1   19    7  -11 o   60.423   7.2349  1112.62  228.467  1129.49  277.841  1077.40  401.477   62.005   7.7586   58.841   12.214 3.164597 14.46972 
1 1 1   19    8  -11 o   81.073   5.0722  1928.62  237.284  1857.31  338.004  1997.92  333.188   79.562   7.3558   82.583   6.9857 -3.020882 10.14438 
1 1 1   19    9  -11 o   37.150   8.4688  207.344  258.572 -285.4763  346.755  824.622  388.077   23.145   10.757   51.155   13.083 -28.01019 16.93753 
1 1 1   19   10  -11 o   51.021   8.0679  755.308  228.265  553.868  286.115  1108.03  378.603   42.207   11.448   59.835   11.372 -17.62766 16.13573 
1 1 1   19   11  -11 o  119.811   3.3041  4173.56  228.034  3778.37  317.961  4592.10  327.215  113.944   4.8317  125.678   4.5080 -11.73470 6.608140 
1 1 1   19   12  -11 o  104.186   4.4603  3208.28  265.519  3651.27  369.842  2737.08  381.428  111.805   5.7276   96.568   6.8390 15.23679 8.920620 
1 1 1   19   13  -11 o   64.484   6.1353  1304.61  191.019  1368.03  223.788  1134.36  366.657   68.422   5.6631   60.546   10.886 7.876072 12.27059 
1 1 1   19   14  -11 o   70.713   5.5004  1544.88  200.461  1641.01  239.902  1322.47  364.913   74.930   5.5436   66.496   9.5019 8.434120 11.00083 
1 1 1   19   15  -11 o   84.590   5.4801  2092.70  267.727  2092.70  267.727   0.0000   0.0000   84.590   5.4801  ?   ?       ?      ? 
1 1 1   19   16  -11 f   40.588   8.7939  500.060  221.164  436.450  281.525  602.604  357.442   37.610   11.708   43.567   13.124 -5.957279 17.58781 
1 1 1   19   17  -11 f   17.298   5.6854 -162.2426  137.191 -142.4560  192.827 -182.5256  195.230   17.594   8.1224   17.002   7.9575 0.5924721 11.37077 
1 1 1   19   18  -11 o   30.543   7.2315  273.774  149.819  277.912  202.845  268.806  222.233   30.547   9.9866   30.538   10.462 0.9252548E-02 14.46295 
1 1 1   19   19  -11 o   23.063   7.1968 -184.2489  217.098 -790.3207  369.553  135.134  268.269   18.642   9.2275   27.484   11.047 -8.841909 14.39356 
1 1 1   19   20  -11 o   12.658   6.3755 -653.3350  214.054 -653.3350  214.054   0.0000   0.0000   12.658   6.3755  ?   ?       ?      ? 
1 1 1   19   21  -11 o   25.685   8.0221 -197.6460  262.257  193.983  353.051 -679.7960  391.734   31.151   12.619   20.220   9.9085 10.93041 16.04418 
1 1 1   19   22  -11 o   22.556   6.5965   66.363  139.753   88.659  185.558   37.139  212.442   22.724   9.1683   22.389   9.4868 0.3350410 13.19304 
1 1 1   19   23  -11 o   17.771   6.2094 -466.6733  163.458 -163.1831  341.740 -556.7032  186.130   23.695   10.893   11.847   5.9643 11.84777 12.41885 
1 1 1   19   24  -11 o   27.015   8.4307 -292.8161  268.325 -672.2480  334.404  393.101  449.614   17.732   8.7771   36.298   14.397 -18.56618 16.86139 
1 1 1   19   25  -11 o   27.906   8.5571   86.553  252.637   89.951  331.517   81.845  390.169   27.195   11.696   28.617   12.494 -1.421371 17.11429 
1 1 1   19   26  -11 o   16.090   5.6517 -430.7363  173.456 -911.4014  376.603 -301.3160  195.417   17.407   8.7248   14.773   7.1863 2.633417 11.30337 
1 1 1   19   27  -11 o   22.821   6.4802  131.977  112.656 -309.7068  371.443  176.722  118.225   21.974   10.487   23.669   7.6155 -1.695162 12.96046 
1 1 1   19   28  -11 o   21.849   7.0233 -19.0762  114.245  188.053  366.914 -41.3131  120.221   28.897   12.362   14.802   6.6690 14.09501 14.04655 
1 1 1   19   29  -11 o   12.041   5.9086 -253.5232  140.785   0.0000   0.0000 -253.5232  140.785  ?   ?    12.041   5.9086      ?      ? 
1 1 1   19   30  -11 o   21.587   7.1712  146.542  104.442   0.0000   0.0000  146.542  104.442  ?   ?    21.587   7.1712      ?      ? 
1 1 1   19   31  -11 o   26.966   7.5900  210.055  147.323  247.827  357.902  202.350  161.653   28.997   12.302   24.934   8.8938 4.063492 15.17996 
1 1 1   19   32  -11 o   25.908   7.0395  195.095  106.532  201.917  355.615  194.422  111.660   27.680   12.008   24.135   7.3498 3.544790 14.07902 
1 1 1   19   33  -11 o   22.686   7.4321 -164.9322  247.429 -550.2563  352.181  210.645  347.698   18.116   8.9744   27.256   11.849 -9.140713 14.86419 
1 1 1   19   34  -11 o   26.294   7.5185  107.049  129.168  583.774  350.207   31.985  138.966   35.086   13.004   17.501   7.5495 17.58522 15.03697 
1 1 1   19    0  -12 o   61.885   8.0566  1272.94  238.919  1740.54  340.438  819.128  335.383   76.099   7.9441   47.670   14.019 -0.000000 0.000000 
1 1 1   19    1  -12 o   52.307   8.2769  761.446  261.468  339.324  335.959  1409.92  416.401   35.802   12.816   68.813   10.477 -33.01077 16.55382 
1 1 1   19    2  -12 o   62.122   5.8337  1125.23  209.304   0.0000   0.0000  1125.23  209.304  ?   ?    62.122   5.8337      ?      ? 
1 1 1   19    3  -12 o   26.116   7.6088   71.581  186.189 -168.0551  342.086  172.450  221.942   24.713   11.182   27.518   10.322 -2.804733 15.21763 
1 1 1   19    4  -12 o  119.142   3.4811  4113.54  239.533   0.0000   0.0000  4113.54  239.533  ?   ?   119.142   3.4811      ?      ? 
1 1 1   19    5  -12 o   37.747   9.2690  304.397  263.321   40.691  342.474  685.722  411.828   28.536   12.066   46.959   14.074 -18.42344 18.53800 
1 1 1   19    6  -12 o   55.739   8.0131  914.628  257.955   0.0000   0.0000  914.628  257.955  ?   ?    55.739   8.0131      ?      ? 
1 1 1   19    7  -12 o   38.537   8.4519  426.635  211.276  287.427  280.975  607.748  320.487   32.917   11.727   44.156   12.174 -11.23851 16.90376 
1 1 1   19    8  -12 o   21.619   7.2452 -527.3541  228.094 -770.9890  282.750 -73.3641  385.972   15.262   7.6367   27.975   12.315 -12.71280 14.49042 
1 1 1   19    9  -12 o   39.669   8.9439  479.064  229.635  526.398  290.506  400.231  374.909   41.188   11.677   38.150   13.551 3.037384 17.88784 
1 1 1   19   10  -12 o   25.492   10.151  108.284  224.359   0.0000   0.0000  108.284  224.359  ?   ?    25.492   10.151      ?      ? 
1 1 1   19   11  -12 o  104.895   4.0983  3222.45  241.230  3243.38  307.462  3188.94  389.067  105.492   5.0465  104.298   6.4590 1.194115 8.196669 
1 1 1   19   12  -12 o   33.141   8.9491  251.142  239.995  158.768  367.855  319.600  316.674   31.748   12.874   34.534   12.434 -2.786621 17.89821 
1 1 1   19   13  -12 o   16.472   5.6384 -389.7747  166.135 -267.1090  234.260 -513.8969  235.647   17.899   8.4809   15.044   7.4323 2.854662 11.27676 
1 1 1   19   14  -12 o   24.112   10.050   51.124  232.364   0.0000   0.0000   51.124  232.364  ?   ?    24.112   10.050      ?      ? 
1 1 1   19   15  -12 o   29.875   6.4178  228.318  140.210   1.9902  195.808  466.480  200.862   21.047   9.0184   38.702   9.1334 -17.65462 12.83553 
1 1 1   19   16  -12 o   33.106   9.6793  339.009  196.758   0.0000   0.0000  339.009  196.758  ?   ?    33.106   9.6793      ?      ? 
1 1 1   19   17  -12 o   49.427   7.6660  715.088  191.579  645.529  221.518  921.517  381.608   45.639   8.7221   53.216   12.609 -7.577587 15.33203 
1 1 1   19   18  -12 o   31.946   7.9023  307.883  170.452  368.612  188.692   38.533  397.387   34.242   9.3005   29.650   12.778 4.592106 15.80462 
1 1 1   19   19  -12 o   38.218   7.7957  278.172  221.605  963.447  363.607 -126.7919  279.517   54.307   11.920   22.130   10.050 32.17668 15.59149 
1 1 1   19   20  -12 o   20.973   6.9667 -225.9242  186.681 -138.8087  356.701 -258.7859  219.079   24.970   11.345   16.976   8.0886 7.993629 13.93339 
1 1 1   19   21  -12 o   47.746   7.4533  712.230  185.010  782.913  355.268  685.928  216.716   48.005   12.640   47.486   7.9020 0.5189438 14.90668 
1 1 1   19   22  -12 o   59.250   8.1176  1192.37  265.536  1361.83  350.464  963.965  406.865   66.032   9.1897   52.468   13.384 13.56437 16.23515 
1 1 1   19   23  -12 o   38.222   9.1010  476.215  198.021   0.0000   0.0000  476.215  198.021  ?   ?    38.222   9.1010      ?      ? 
1 1 1   19   24  -12 o   31.256   7.7338  262.146  139.789  428.937  335.063  226.997  153.815   35.651   12.795   26.860   8.6910 8.790852 15.46761 
1 1 1   19   25  -12 o   32.263   7.3000  335.535  128.473  319.307  330.971  338.414  139.404   32.167   12.472   32.358   7.5906 -0.1904869 14.60007 
1 1 1   19   26  -12 f   28.694   7.4596  267.960  124.769   0.0000   0.0000  267.960  124.769  ?   ?    28.694   7.4596      ?      ? 
1 1 1   19   27  -12 o   58.099   4.1618  1004.27  139.647   0.0000   0.0000  1004.27  139.647  ?   ?    58.099   4.1618      ?      ? 
1 1 1   19   28  -12 o   35.233   7.0636  402.996  138.731   0.0000   0.0000  402.996  138.731  ?   ?    35.233   7.0636      ?      ? 
1 1 1   19   29  -12 o   19.817   6.0927   32.747  126.138 -408.5801  320.980  113.350  137.174   18.781   9.1524   20.853   8.0447 -2.071968 12.18536 
1 1 1   19   30  -12 o   28.717   7.1703  272.905  125.890  266.432  318.107  274.108  137.081   29.030   11.895   28.404   8.0099 0.6258526 14.34067 
1 1 1   19   31  -12 o   12.863   5.8422 -40.6824   94.484   0.0000   0.0000 -40.6824   94.484  ?   ?    12.863   5.8422      ?      ? 
1 1 1   19   32  -12 f   23.572   7.5152   15.628  220.000  165.824  315.832 -125.9399  306.627   26.102   11.320   21.042   9.8878 5.060667 15.03050 
1 1 1   19   33  -12 o   24.508   7.5179   30.134  218.883  377.352  311.201 -309.8024  307.921   30.362   11.998   18.655   9.0623 11.70615 15.03588 
1 1 1   19   34  -12 o   24.586   6.9240  205.770  139.081  108.757  306.977  230.828  156.012   23.915   10.726   25.257   8.7593 -1.342089 13.84803 
1 1 1   19    0  -13 f   22.384   9.7488   65.575  228.055  300.718  412.385 -38.0193  273.720   27.818   16.011   16.950   11.127 -0.000000 0.000000 
1 1 1   19    1  -13 o   75.549   4.4506  1669.04  193.862  1681.43  267.085  1655.25  281.833   75.874   6.0950   75.225   6.4870 0.6493912 8.901139 
1 1 1   19    2  -13 o   74.264   6.4227  1835.14  224.440  2062.06  266.508  1281.65  416.214   84.112   5.4861   64.416   11.615 19.69641 12.84541 
1 1 1   19    3  -13 o   68.444   5.7705  1312.40  202.241  1238.38  233.789  1532.49  403.130   65.093   6.2187   71.795   9.7223 -6.701233 11.54103 
1 1 1   19    4  -13 o   26.050   7.5289   63.898  182.872 -33.5821  251.354  173.525  266.555   23.088   10.056   29.011   11.208 -5.923599 15.05775 
1 1 1   19    5  -13 f  106.609   3.7294  3229.81  207.551  3503.69  395.138  3125.46  243.907  109.461   6.2504  103.757   4.0702 5.703392 7.458817 
1 1 1   19    6  -13 o   20.910   7.0006 -407.7077  231.732 -663.5593  344.028 -195.2100  313.529   18.853   9.2482   22.966   10.512 -4.113171 14.00115 
1 1 1   19    7  -13 o   78.957   4.8453  1785.72  194.674  1738.91  225.635  1922.03  385.059   77.264   5.0564   80.650   8.2668 -3.386055 9.690552 
1 1 1   19    8  -13 o   41.002   8.3834  546.812  226.059  736.473  282.617  209.923  376.662   48.735   10.360   33.270   13.183 15.46461 16.76676 
1 1 1   19    9  -13 f  ?   ?  -1022.9560  224.381 -1022.9560  224.381   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   19   10  -13 o   77.472   4.9011  1749.12  219.292   0.0000   0.0000  1749.12  219.292  ?   ?    77.472   4.9011      ?      ? 
1 1 1   19   11  -13 f   43.583   9.2552  587.263  225.767  587.263  225.767   0.0000   0.0000   43.583   9.2552  ?   ?       ?      ? 
1 1 1   19   12  -13 o   18.629   6.2095 -230.4266  159.260 -187.2978  279.785 -251.0995  193.705   21.420   9.8504   15.839   7.5632 5.580587 12.41904 
1 1 1   19   13  -13 o   61.681   3.6489  1095.14  128.933  1303.69  195.746  935.326  171.355   66.802   5.0736   56.560   5.2457 10.24165 7.297894 
1 1 1   19   14  -13 o   21.167   6.1559   44.460  122.499   93.449  172.086  -5.8650  174.417   22.654   8.9315   19.681   8.4739 2.972841 12.31175 
1 1 1   19   15  -13 o   27.187   8.5372  220.744  149.312   0.0000   0.0000  220.744  149.312  ?   ?    27.187   8.5372      ?      ? 
1 1 1   19   16  -13 o   35.654   6.9579  389.339  138.134   0.0000   0.0000  389.339  138.134  ?   ?    35.654   6.9579      ?      ? 
1 1 1   19   17  -13 o   12.833   6.2330 -242.8092  145.481   0.0000   0.0000 -242.8092  145.481  ?   ?    12.833   6.2330      ?      ? 
1 1 1   19   18  -13 o   32.939   8.2833  302.749  206.776  144.594  303.778  439.290  282.257   28.730   11.681   37.147   11.748 -8.417046 16.56663 
1 1 1   19   19  -13 o   27.097   5.8792  213.757  107.112  328.963  153.906  105.543  149.163   32.315   8.2254   21.879   8.4025 10.43557 11.75840 
1 1 1   19   20  -13 o   12.382   4.2127 -162.4162   82.049 -139.5401  139.500 -174.5157  101.453   14.134   6.6504   10.631   5.1731 3.502187 8.425464 
1 1 1   19   21  -13 o   53.835   3.3687  851.662  104.269  891.690  156.351  819.600  139.930   54.929   4.9285   52.741   4.5938 2.187935 6.737466 
1 1 1   19   22  -13 o   13.703   6.8061 -472.1565  207.672   0.0000   0.0000 -472.1565  207.672  ?   ?    13.703   6.8061      ?      ? 
1 1 1   19   23  -13 f   32.796   8.8300  352.336  170.967   0.0000   0.0000  352.336  170.967  ?   ?    32.796   8.8300      ?      ? 
1 1 1   19   24  -13 o   46.166   7.1778  710.930  166.445  720.693  337.364  707.789  191.355   44.394   12.582   47.937   6.9116 -3.543022 14.35551 
1 1 1   19   25  -13 o   24.329   7.1758  116.319  137.681   82.310  334.265  123.267  151.093   26.614   11.594   22.044   8.4589 4.570419 14.35162 
1 1 1   19   26  -13 o   20.252   6.7304 -43.5560  117.649 -41.1132  380.552 -43.8142  123.709   25.515   11.641   14.989   6.7582 10.52587 13.46088 
1 1 1   19   27  -13 o   48.212   5.6459  767.362  150.368  690.029  227.037  827.790  200.695   45.033   9.0435   51.392   6.7618 -6.359009 11.29187 
1 1 1   19   28  -13 o   42.373   6.6427  592.052  143.838  683.038  285.629  561.139  166.489   42.591   11.390   42.156   6.8382 0.4349785 13.28547 
1 1 1   19   29  -13 o   40.998   5.8586  598.827  129.811  689.946  163.299  442.395  213.964   47.118   6.0009   34.878   10.064 12.23944 11.71728 
1 1 1   19   30  -13 o   35.506   8.6375  507.637  213.523  535.072  319.165  485.411  287.279   36.075   12.527   34.937   11.895 1.138420 17.27494 
1 1 1   19   31  -13 o   19.265   5.5886   68.591  101.536   13.639  144.961  121.518  142.265   17.485   7.6253   21.046   8.1721 -3.561361 11.17710 
1 1 1   19   32  -13 o   34.991   6.2914  422.660  120.832  381.912  146.011  511.207  215.240   33.243   7.7483   36.740   9.9142 -3.496964 12.58282 
1 1 1   19   33  -13 o   21.083   6.7380   2.7765  135.038 -44.7600  149.473  213.839  314.961   15.938   7.2811   26.228   11.340 -10.29018 13.47605 
1 1 1   19    0  -14 o   63.035   7.0959  1151.06  227.111  1583.55  405.303  953.110  274.203   71.266   10.520   54.805   9.5252 -0.000000 0.000000 
1 1 1   19    1  -14 o   61.854   3.5656  1110.26  126.949  1162.15  188.906  1067.53  171.430   63.152   5.1793   60.555   4.9018 2.597088 7.131100 
1 1 1   19    2  -14 o   41.269   8.1975  523.421  170.902  466.925  415.987  534.893  187.452   40.623   14.291   41.916   8.0357 -1.293247 16.39509 
1 1 1   19    3  -14 o   58.512   4.1260  995.094  139.069  921.710  188.835  1082.07  205.576   56.169   5.8210   60.856   5.8490 -4.686821 8.252013 
1 1 1   19    4  -14 o   35.297   6.8355  368.012  164.444  632.039  227.234   77.696  238.278   45.406   8.9833   25.189   10.305 20.21713 13.67091 
1 1 1   19    5  -14 o   24.078   7.7168 -136.7272  219.414 -193.1736  382.397 -109.0221  267.902   25.859   11.748   22.297   10.009 3.562506 15.43366 
1 1 1   19    6  -14 o   77.441   3.8665  1729.85  169.181  1654.68  215.784  1849.78  272.556   75.358   4.9580   79.523   5.9344 -4.165321 7.732922 
1 1 1   19    7  -14 o  108.821   3.6573  3393.35  210.301  3605.64  390.271  3306.49  249.646  110.967   6.0896  106.675   4.0521 4.291519 7.314548 
1 1 1   19    8  -14 o   54.418   7.0913  871.966  222.870   0.0000   0.0000  871.966  222.870  ?   ?    54.418   7.0913      ?      ? 
1 1 1   19    9  -14 o   28.692   7.7741  181.097  180.179  199.297  244.108  159.313  267.060   28.926   10.830   28.458   11.156 0.4684753 15.54827 
1 1 1   19   10  -14 o   56.063   5.3825  918.827  170.566  984.565  274.443  877.455  217.720   57.557   8.2559   54.569   6.9083 2.988609 10.76495 
1 1 1   19   11  -14 o   45.465   6.2315  626.814  155.638  697.862  244.999  578.743  201.525   47.510   9.2616   43.420   8.3395 4.090233 12.46292 
1 1 1   19   12  -14 o   42.919   6.3668  573.170  149.921  558.666  238.845  582.599  192.586   42.197   9.9606   43.642   7.9329 -1.445545 12.73360 
1 1 1   19   13  -14 o   36.814   6.6329  458.820  146.254  221.401  265.892  561.812  175.126   30.059   11.294   43.569   6.9597 -13.51003 13.26588 
1 1 1   19   14  -14 o   85.729   4.6245  2101.78  218.265  1951.42  266.699  2406.74  379.819   81.484   5.6671   89.973   7.3094 -8.488716 9.248945 
1 1 1   19   15  -14 o   19.808   8.0350   54.735  143.345   0.0000   0.0000   54.735  143.345  ?   ?    19.808   8.0350      ?      ? 
1 1 1   19   16  -14 f   77.745   4.3389  1766.87  194.820   0.0000   0.0000  1766.87  194.820  ?   ?    77.745   4.3389      ?      ? 
1 1 1   19   17  -14 o  ?   ?  -434.9177  115.328   0.0000   0.0000 -434.9177  115.328  ?   ?   ?   ?       ?      ? 
1 1 1   19   18  -14 o   19.342   6.3499   5.2188   82.908 -235.4230  369.460   17.979   85.078   24.017   11.142   14.668   6.0946 9.348885 12.69984 
1 1 1   19   19  -14 o   42.204   6.8119  472.238  130.476  766.869  319.813  413.406  142.911   47.904   11.668   36.504   7.0336 11.39973 13.62380 
1 1 1   19   20  -14 o   35.004   4.7815  361.728   96.663   0.0000   0.0000  361.728   96.663  ?   ?    35.004   4.7815      ?      ? 
1 1 1   19   21  -14 f   28.017   5.3800  210.164   79.497  167.926   90.882  347.775  164.041   23.230   6.5119   32.804   8.5658 -9.573856 10.76002 
1 1 1   19   22  -14 f   30.236   4.5993  253.538   71.828  382.131  138.616  206.335   83.983   34.746   7.1462   25.727   5.7918 9.018896 9.198509 
1 1 1   19   23  -14 o   48.654   4.9201  718.058  137.139  847.710  209.119  620.224  181.655   52.472   6.9005   44.836   7.0151 7.635956 9.840171 
1 1 1   19   24  -14 o   22.576   6.8993   50.977   91.038  196.533  341.398   39.834   94.458   29.124   12.164   16.029   6.5149 13.09554 13.79865 
1 1 1   19   25  -14 o   27.205   5.6747  240.238   95.998  293.031  140.997  194.617  131.069   29.730   8.0249   24.680   8.0257 5.050003 11.34947 
1 1 1   19   26  -14 o   25.225   6.3466  200.186  118.834  247.092  155.442  134.214  184.344   27.234   8.7291   23.217   9.2153 4.016905 12.69326 
1 1 1   19   27  -14 o   18.438   5.3966 -31.9159   96.993 -138.9903  118.666  183.598  168.353   12.382   5.9143   24.494   9.0286 -12.11264 10.79326 
1 1 1   19   28  -14 o   23.058   8.7591  153.366  160.984  153.366  160.984   0.0000   0.0000   23.058   8.7591  ?   ?       ?      ? 
1 1 1   19   29  -14 o   13.739   4.6651 -180.3895  107.404 -201.7532  157.544 -161.8378  146.809   13.736   6.6265   13.742   6.5682 -0.6608009E-02 9.330162 
1 1 1   19   30  -14 o   23.477   6.5852  135.418  123.531  242.003  226.719   90.415  147.319   26.877   10.350   20.077   8.1450 6.800200 13.17033 
1 1 1   19   31  -14 o   41.248   4.9516  543.356  106.172  516.047  127.103  606.399  193.120   40.738   5.4022   41.758   8.2999 -1.020611 9.903150 
1 1 1   19   32  -14 o   14.507   4.7139 -75.0327   94.172   5.4172  124.463 -182.7636  144.028   15.989   7.0167   13.026   6.2966 2.963007 9.427705 
1 1 1   19    0  -15 o   43.692   11.931  671.921  260.292  671.921  260.292   0.0000   0.0000   43.692   11.931   43.692   11.931 -0.000000 0.000000 
1 1 1   19    1  -15 o   58.197   6.7805  1174.49  175.183  1295.83  200.627  785.063  359.420   66.646   5.2123   49.749   12.519 16.89676 13.56098 
1 1 1   19    2  -15 o   73.400   4.2478  1603.99  176.837  1376.32  263.299  1791.08  238.681   68.460   6.6593   78.340   5.2753 -9.880371 8.495570 
1 1 1   19    3  -15 o   30.038   8.2220  190.631  200.391  191.867  315.428  189.794  259.484   30.933   12.125   29.144   11.109 1.789049 16.44410 
1 1 1   19    4  -15 o  104.149   3.7217  3083.93  213.019  2911.75  260.376  3432.42  370.437  100.017   4.5076  108.281   5.9235 -8.263885 7.443489 
1 1 1   19    5  -15 o   26.601   7.3236  140.825  162.093  158.896  227.641  122.240  230.862   27.108   10.387   26.093   10.327 1.014309 14.64716 
1 1 1   19    6  -15 o   48.915   5.8240  721.668  160.562  750.734  222.564  690.125  231.858   50.384   7.6485   47.446   8.7849 2.938240 11.64794 
1 1 1   19    7  -15 o  100.078   3.7514  2924.39  207.063  2935.26  349.109  2918.49  257.184  100.045   6.0420  100.110   4.4481 -0.6532288E-01 7.502775 
1 1 1   19    8  -15 o   89.233   2.9249  2324.73  149.788  2237.53  222.277  2397.28  202.734   87.652   4.3908   90.814   3.8654 -3.161606 5.849827 
1 1 1   19    9  -15 o   74.313   5.2453  1615.43  212.919  1697.19  369.932  1574.93  260.368   75.416   8.4933   73.211   6.1578 2.204391 10.49067 
1 1 1   19   10  -15 o   30.935   7.0124  282.842  135.489  276.507  243.238  285.691  163.142   31.361   10.934   30.509   8.7834 0.8522778 14.02477 
1 1 1   19   11  -15 o   49.739   4.9238  768.799  132.092  587.496  198.862  911.953  176.706   43.713   8.1775   55.765   5.4866 -12.05187 9.847553 
1 1 1   19   12  -15 o   83.552   4.4488  2019.66  199.357  2168.77  360.692  1954.08  239.216   85.418   7.3115   81.686   5.0705 3.731247 8.897635 
1 1 1   19   13  -15 o   42.567   7.0594  480.027   94.834  467.502   97.974  666.110  377.645   40.025   4.2383   45.110   13.468 -5.084980 14.11880 
1 1 1   19   14  -15 o   22.936   5.8940  161.062   78.496  161.062   78.496   0.0000   0.0000   22.936   5.8940  ?   ?       ?      ? 
1 1 1   19   15  -15 f   63.038   6.4004  1373.71  163.220  1461.14  181.512  1004.33  373.090   70.654   4.4482   55.423   12.003 15.23162 12.80089 
1 1 1   19   16  -15 o   32.645   6.3568  404.670   96.076 -82.0865  376.657  438.543   99.362   26.605   11.910   38.684   4.4474 -12.07877 12.71353 
1 1 1   19   17  -15 o   13.491   4.2501 -36.8170   67.968  -2.9030   90.690 -80.2740  102.660   14.229   6.1183   12.753   5.9010 1.476246 8.500286 
1 1 1   19   18  -15 o   25.498   5.3221  196.904   71.326  200.492   78.564  180.078  170.126   25.539   5.4897   25.457   9.1193 0.8193398E-01 10.64416 
1 1 1   19   19  -15 o   19.906   4.7656  112.025   65.153   98.599   88.628  127.812   96.106   18.935   6.6000   20.877   6.8764 -1.941689 9.531263 
1 1 1   19   20  -15 o   32.075   4.7918  304.759   88.767  304.759   88.767   0.0000   0.0000   32.075   4.7918  ?   ?       ?      ? 
1 1 1   19   21  -15 o   14.286   4.6947 -89.9709   75.367 -15.0060  159.438 -111.5417   85.526   18.106   7.9439   10.466   5.0054 7.639948 9.389328 
1 1 1   19   22  -15 o   16.146   5.3834 -94.5787   84.227 -12.4314  227.548 -107.6208   90.667   21.312   9.4149   10.979   5.2235 10.33322 10.76687 
1 1 1   19   23  -15 o   17.069   5.9186 -107.8109   81.459 -39.0252  314.271 -112.7651   84.342   23.844   10.759   10.295   4.9357 13.54937 11.83729 
1 1 1   19   24  -15 o   30.273   6.6031  314.461  122.396  268.581  230.359  332.509  144.477   28.841   10.572   31.705   7.9147 -2.863892 13.20615 
1 1 1   19   25  -15 o   12.240   4.1031 -159.3967   83.284 -322.0770  128.248 -40.7578  109.521   10.403   5.1962   14.076   6.3515 -3.672362 8.206200 
1 1 1   19   26  -15 o   15.732   5.0032 -80.0907  100.717 -199.3527  141.152   43.612  143.755   12.849   6.2165   18.616   7.8412 -5.766614 10.00647 
1 1 1   19   27  -15 o   20.067   5.7302   77.794  106.760  142.608  141.339  -8.3152  162.911   22.156   8.2517   17.978   7.9530 4.177828 11.46039 
1 1 1   19   28  -15 o   19.950   5.3885   54.866   99.619 -96.6385  138.791  215.861  143.072   14.505   6.7626   25.395   8.3913 -10.89013 10.77710 
1 1 1   19   29  -15 o   19.641   5.6937   75.608  105.081  119.790  138.601   15.879  161.151   20.927   8.0828   18.355   8.0214 2.572392 11.38745 
1 1 1   19   30  -15 o   37.687   5.0689  475.123  107.138  404.243  155.071  539.855  148.194   34.151   8.0020   41.223   6.2246 -7.071194 10.13789 
1 1 1   19   31  -15 o   24.150   6.4049  196.311  119.848  216.552  148.354  158.283  203.342   24.891   8.5467   23.410   9.5418 1.481445 12.80989 
1 1 1   19   32  -15 o   33.000   5.4977  359.819   97.404  309.733  117.175  471.821  175.224   30.090   6.8909   35.909   8.5683 -5.818890 10.99547 
1 1 1   19    0  -16 o   22.284   9.2480  159.022  199.844   79.563  260.223  273.263  312.020   19.012   11.809   25.556   14.236 -0.000000 0.000000 
1 1 1   19    1  -16 o   74.101   5.0445  1632.68  161.546  1600.86  389.432  1639.29  177.542   73.128   9.2207   75.074   4.0948 -1.945518 10.08900 
1 1 1   19    2  -16 o   20.878   6.3980 -71.1088  151.347   92.923  214.084 -234.9970  213.990   24.503   9.8612   17.253   8.1543 7.249393 12.79596 
1 1 1   19    3  -16 o   43.160   6.4287  576.289  155.145  594.203  222.723  559.403  216.237   43.823   9.0976   42.497   9.0854 1.325871 12.85736 
1 1 1   19    4  -16 o   14.757   5.0771 -358.9676  138.776 -482.2225  194.105 -230.0849  198.486   13.079   6.5101   16.434   7.7927 -3.355153 10.15417 
1 1 1   19    5  -16 o   30.762   8.5542  183.033  210.599  152.169  255.516  248.417  371.897   27.777   10.905   33.747   13.183 -5.970581 17.10842 
1 1 1   19    6  -16 o   14.701   7.3212 -612.9622  246.885 -612.9622  246.885   0.0000   0.0000   14.701   7.3212  ?   ?       ?      ? 
1 1 1   19    7  -16 o   24.431   6.9421   90.782  131.559   74.988  150.907  140.801  268.553   21.006   8.3378   27.856   11.102 -6.849789 13.88417 
1 1 1   19    8  -16 o   30.947   5.8726  257.291   89.513  367.978  206.001  231.528   99.386   34.396   9.8605   27.498   6.3812 6.897797 11.74519 
1 1 1   19    9  -16 o   14.329   4.4824 -37.3819   72.897 -65.4980   96.377   0.2088  111.438   12.702   5.8191   15.957   6.8194 -3.254628 8.964741 
1 1 1   19   10  -16 o   10.043   3.4907 -218.6441   70.706 -135.0561  100.107 -301.8523   99.879   11.323   5.4151   8.7640   4.4066 2.558682 6.981439 
1 1 1   19   11  -16 o   64.203   5.0569  1126.66  139.466  1384.66  357.058  1080.21  151.501   67.581   9.1481   60.825   4.3127 6.755634 10.11373 
1 1 1   19   12  -16 o   49.456   4.0150  713.535  114.680   0.0000   0.0000  713.535  114.680  ?   ?    49.456   4.0150      ?      ? 
1 1 1   19   13  -16 o   21.384   5.8513   88.531   87.245  125.264  191.521   78.913   98.004   24.354   9.4747   18.414   6.8687 5.939167 11.70252 
1 1 1   19   14  -16 o  ?   ?  -386.4729   71.265 -356.7083   92.427 -430.1113  111.913  ?   ?   ?   ?       ?      ? 
1 1 1   19   15  -16 o   35.309   3.3740  368.603   68.258  317.723   96.916  418.684   96.151   32.831   5.1113   37.787   4.4059 -4.955929 6.748092 
1 1 1   19   16  -16 o   12.918   4.5274 -256.6669  103.166 -598.7021  238.699 -178.0981  114.404   14.248   7.1122   11.588   5.6040 2.660297 9.054781 
1 1 1   19   17  -16 o   19.468   5.9281   44.238   96.591 -272.0840  293.563   82.641  102.286   20.246   9.5632   18.691   7.0082 1.555414 11.85621 
1 1 1   19   18  -16 o   11.048   3.7512 -135.8725   69.269 -127.2638   94.048 -146.0794  102.408   10.894   5.2200   11.203   5.3887 -0.3091230 7.502484 
1 1 1   19   19  -16 o  ?   ?  -808.3146  146.386 -704.9945  183.211 -990.7339  243.441  ?   ?   ?   ?       ?      ? 
1 1 1   19   20  -16 f   46.407   5.0063  658.634   88.235  654.220   94.947  686.588  238.938   47.227   3.4810   45.586   9.3880 1.640678 10.01262 
1 1 1   19   21  -16 o   18.152   6.0939   95.871   75.392   0.0000   0.0000   95.871   75.392  ?   ?    18.152   6.0939      ?      ? 
1 1 1   19   22  -16 o   17.277   6.0968 -107.9009   78.666 -72.7933  353.890 -109.7258   80.684   24.521   11.203   10.033   4.8148 14.48858 12.19364 
1 1 1   19   23  -16 o   12.484   4.6328 -264.6549   77.791 -397.8008  272.595 -252.8505   81.166   17.228   8.4040   7.7400   3.9019 9.487859 9.265673 
1 1 1   19   24  -16 o   12.027   4.2473 -429.8052  118.004 -248.8210  169.199 -601.2051  164.658   13.855   6.7274   10.200   5.1867 3.655035 8.494667 
1 1 1   19   25  -16 o   16.883   5.3409 -38.3118  103.892 -75.4979  131.846   22.597  168.738   14.625   6.7390   19.141   8.2877 -4.515922 10.68176 
1 1 1   19   26  -16 o   44.342   3.6650  619.278   89.804  695.626  116.747  508.638  140.541   48.208   4.1932   40.476   6.0121 7.731831 7.329923 
1 1 1   19   27  -16 o   44.012   5.2825  631.046  129.461  614.921  169.468  653.644  200.620   44.041   6.6627   43.984   8.1992 0.5670166E-01 10.56496 
1 1 1   19   28  -16 o   46.095   3.9723  659.682  105.321  664.072  143.154  654.502  155.502   46.416   5.3401   45.773   5.8822 0.6428719 7.944610 
1 1 1   19   29  -16 o   14.560   4.8226 -106.5254  102.312 -68.5108  142.989 -146.4051  146.455   15.236   7.0196   13.884   6.6148 1.351763 9.645255 
1 1 1   19   30  -16 o   32.502   5.2415  363.568   93.637  338.330  162.693  376.069  114.503   30.479   8.7703   34.525   5.7425 -4.045443 10.48304 
1 1 1   19   31  -16 o   38.912   5.6090  516.383   85.539  511.939   91.852  545.418  234.783   41.158   3.8641   36.666   10.531 4.492516 11.21793 
1 1 1   19    0  -17 o   13.295   6.5189 -168.8015  157.544 -137.2909  274.401 -184.2959  192.418   15.201   10.328   11.390   7.9570 -0.000000 0.000000 
1 1 1   19    1  -17 o   16.911   5.4725 -135.4108  116.979 -204.3521  148.072 -20.9369  190.803   13.656   6.5453   20.166   8.7723 -6.510393 10.94509 
1 1 1   19    2  -17 f   12.707   4.3806 -253.5656  100.065 -205.5099  157.277 -286.2476  129.702   14.252   6.8081   11.162   5.5143 3.090146 8.761127 
1 1 1   19    3  -17 o   15.452   5.0500 -134.9629  101.148 -36.2515  169.183 -189.8728  126.182   18.558   8.1616   12.346   5.9495 6.211898 10.09993 
1 1 1   19    4  -17 o   36.750   7.0722  458.994  136.893  216.091  348.055  503.446  148.893   32.162   12.695   41.337   6.2366 -9.175365 14.14436 
1 1 1   19    5  -17 o   59.058   2.8118  1015.16   95.087  1019.89  144.342  1011.53  126.386   59.148   4.2254   58.969   3.7110 0.1794167 5.623651 
1 1 1   19    6  -17 f   21.540   5.7619   64.394   99.588  201.609  167.005 -11.3239  124.059   26.652   9.0692   16.427   7.1096 10.22508 11.52375 
1 1 1   19    7  -17 o   24.254   5.3095  178.107   81.803  139.855  134.503  200.563  103.054   22.937   8.1200   25.571   6.8431 -2.634140 10.61897 
1 1 1   19    8  -17 o   14.581   5.0685 -196.6384  103.344 -422.5582  262.559 -155.2212  112.419   17.252   8.3776   11.911   5.7074 5.340866 10.13696 
1 1 1   19    9  -17 o   41.385   3.7345  503.689   83.784  501.573  145.941  504.729  102.327   41.197   6.1338   41.573   4.2618 -0.3761139 7.469007 
1 1 1   19   10  -17 o   31.519   5.4946  338.402  100.476  408.034  119.631  171.675  185.115   37.213   5.5662   25.825   9.4752 11.38860 10.98915 
1 1 1   19   11  -17 o   42.136   4.2357  512.498  101.743  443.212  131.750  614.863  160.141   38.712   5.8928   45.560   6.0860 -6.848347 8.471448 
1 1 1   19   12  -17 o   34.165   4.1795  339.344   79.554  419.757  127.339  287.867  101.884   37.650   5.8561   30.680   5.9648 6.969900 8.358994 
1 1 1   19   13  -17 f   17.412   5.0606   7.2328   82.861  101.905  133.500 -52.0938  105.681   21.055   7.9816   13.769   6.2237 7.285409 10.12130 
1 1 1   19   14  -17 o   26.483   5.7578  205.306  103.697  318.969  147.003   92.729  146.299   31.773   8.0124   21.194   8.2711 10.57982 11.51559 
1 1 1   19   15  -17 o   12.106   3.9458 -62.2057   62.989 -24.0254   76.159 -144.8710  112.063   12.199   5.4151   12.013   5.7406 0.1868477 7.891635 
1 1 1   19   16  -17 o   17.246   5.9015 -209.1882   78.049 -234.0582   81.138   98.890  285.572   8.0157   4.0222   26.476   11.097 -18.45999 11.80299 
1 1 1   19   17  -17 o   32.979   7.3566  333.347  137.318  387.870  298.085  318.660  154.712   34.514   12.100   31.444   8.3709 3.069460 14.71315 
1 1 1   19   18  -17 o   30.484   6.2374  227.479   89.306  190.126   96.554  448.619  234.932   24.576   6.6438   36.393   10.559 -11.81734 12.47487 
1 1 1   19   19  -17 o   18.629   4.8941   87.706   69.427   90.409   89.889   83.709  109.303   18.380   6.6240   18.878   7.2064 -0.4981461 9.788176 
1 1 1   19   20  -17 o   15.795   5.0686 -33.0747   88.197  -5.5266   99.838 -130.9760  188.210   14.617   6.3520   16.973   7.9004 -2.355540 10.13728 
1 1 1   19   21  -17 o   20.862   6.3310   32.170  116.378   9.0114  132.259  111.606  244.952   17.096   7.3700   24.628   10.296 -7.531313 12.66200 
1 1 1   19   22  -17 o   15.600   5.3821 -89.5148   84.081 -211.2190  280.716 -77.5201   88.127   19.762   9.3399   11.438   5.3512 8.324092 10.76424 
1 1 1   19   23  -17 o   22.333   6.3817  114.215  111.040  119.174  124.710   95.238  243.933   20.803   7.7505   23.862   10.141 -3.058338 12.76348 
1 1 1   19   24  -17 o   37.623   4.3608  456.177   88.750  609.222  125.655  303.832  125.367   44.895   4.8462   30.351   7.2512 14.54371 8.721531 
1 1 1   19   25  -17 o   23.604   6.4514  141.547  103.111  126.887  114.096  206.869  240.842   20.740   7.4640   26.469   10.525 -5.729660 12.90277 
1 1 1   19   26  -17 o   42.541   6.6459  674.861  120.744  563.807  313.159  694.254  130.862   37.223   12.420   47.860   4.7343 -10.63746 13.29188 
1 1 1   19   27  -17 o   16.291   5.1110 -18.4011   97.687   34.717  125.236 -100.9400  156.112   17.212   7.2880   15.369   7.1678 1.842260 10.22209 
1 1 1   19   28  -17 o   18.367   5.6927   20.043  110.326   23.831  189.675   18.107  135.630   19.626   8.6363   17.109   7.4191 2.517406 11.38542 
1 1 1   19   29  -17 o   43.985   4.2204  563.652   96.174  504.477  111.301  738.050  191.073   40.536   4.7541   47.434   6.9746 -6.897869 8.440775 
1 1 1   19   30  -17 o   34.449   6.1051  500.332   92.930  522.437   97.458  278.884  308.468   41.487   4.0674   27.411   11.513 14.07691 12.21019 
1 1 1   19    0  -18 o   22.115   10.946  214.872  168.245  214.872  168.245   0.0000   0.0000   22.115   10.946   22.115   10.946 -0.000000 0.000000 
1 1 1   19    1  -18 o   27.990   6.0623  242.130  102.292  186.765  196.969  262.578  119.700   26.826   9.7842   29.155   7.1608 -2.329010 12.12469 
1 1 1   19    2  -18 o   27.565   6.4904  205.141  122.462  310.391  189.720  129.966  160.339   31.701   9.5641   23.430   8.7765 8.270212 12.98075 
1 1 1   19    3  -18 o   38.006   7.4093  479.982  148.838  517.031  162.715  290.141  368.323   41.746   6.7489   34.267   13.193 7.478565 14.81869 
1 1 1   19    4  -18 o   12.641   4.4116 -353.9470  116.589 -536.4527  192.477 -248.1774  146.528   12.454   6.2415   12.829   6.2365 -0.3755913 8.823280 
1 1 1   19    5  -18 o   21.846   10.254 -573.6915  112.335 -291.0259  328.177 -611.2072  119.558   21.846   10.254  ?   ?       ?      ? 
1 1 1   19    6  -18 o   37.878   7.0118  463.805  157.528  551.454  212.271  356.363  235.019   41.880   9.0410   33.876   10.720 8.003147 14.02360 
1 1 1   19    7  -18 o   12.184   4.1587 -173.0312   84.320 -219.5476  141.695 -147.5278  104.919   12.921   6.2457   11.447   5.4927 1.473453 8.317366 
1 1 1   19    8  -18 f   51.083   3.3480  749.551   96.632  840.388  156.915  694.056  122.648   53.465   5.0817   48.702   4.3604 4.762951 6.696064 
1 1 1   19    9  -18 f   44.224   4.0682  598.241   98.787  504.421  159.261  656.911  125.942   41.121   6.7060   47.328   4.6076 -6.207012 8.136367 
1 1 1   19   10  -18 f   37.070   6.6499  421.569  137.140  421.569  137.140   0.0000   0.0000   37.070   6.6499  ?   ?       ?      ? 
1 1 1   19   11  -18 o   20.037   5.7123   60.221   79.679  104.788  196.030   51.401   87.208   23.702   9.4724   16.373   6.3869 7.328960 11.42452 
1 1 1   19   12  -18 o   13.613   4.5687 -148.5888   94.992 -278.2864  167.365 -86.9526  115.377   13.668   6.6493   13.558   6.2673 0.1104774 9.137444 
1 1 1   19   13  -18 f   19.799   5.2802   49.988   83.389  186.448  144.212 -18.5580  102.208   25.089   8.4282   14.508   6.3629 10.58117 10.56036 
1 1 1   19   14  -18 o   48.403   3.9168  668.106   80.844  742.976  203.984  654.155   88.054   49.459   7.1411   47.346   3.2202 2.112316 7.833597 
1 1 1   19   15  -18 o   42.387   3.6779  514.136   85.905  602.038  149.729  471.003  104.885   44.841   5.7816   39.933   4.5477 4.907288 7.355877 
1 1 1   19   16  -18 o   23.116   5.9851  144.322  105.056  114.752  150.855  172.167  146.389   21.975   8.4475   24.258   8.4808 -2.282766 11.97011 
1 1 1   19   17  -18 o   12.638   4.5683 -404.1324  106.519 -417.5575  119.366 -351.6450  236.021   8.9575   4.5406   16.318   7.9286 -7.360540 9.136664 
1 1 1   19   18  -18 o   37.271   5.6942  480.469  113.735  541.476  137.614  348.983  202.028   42.354   5.6258   32.189   9.9017 10.16431 11.38832 
1 1 1   19   19  -18 o   38.676   4.4034  455.848   94.911  365.819  126.450  572.012  143.635   33.938   6.6890   43.413   5.7287 -9.474895 8.806872 
1 1 1   19   20  -18 o   43.708   4.1823  467.792   88.916  831.757  204.818  383.268   98.702   51.665   6.8642   35.752   4.7801 15.91248 8.364609 
1 1 1   19   21  -18 o   13.652   4.7728 -252.9534   89.113 -67.8799  201.343 -298.0387   99.376   18.653   8.4939   8.6514   4.3558 10.00172 9.545681 
1 1 1   19   22  -18 o   22.895   6.5360  119.806   88.795  105.759  308.678  121.073   92.714   25.798   11.190   19.992   6.7576 5.805836 13.07192 
1 1 1   19   23  -18 o   22.304   5.6947  144.004   97.842  206.531  134.173   72.991  142.988   25.059   8.1181   19.548   7.9884 5.511444 11.38939 
1 1 1   19   24  -18 o   22.091   6.0862  110.177   96.401   83.771  109.370  202.125  204.091   18.526   7.1731   25.656   9.8344 -7.130222 12.17244 
1 1 1   19   25  -18 o   26.884   5.4403  227.471   84.368  192.187  102.184  303.035  149.538   24.149   6.9511   29.618   8.3708 -5.468363 10.88062 
1 1 1   19   26  -18 o   11.339   4.0132 -393.9256  110.965 -441.7196  158.911 -348.4445  155.018   11.003   5.5357   11.675   5.8120 -0.6719065 8.026432 
1 1 1   19   27  -18 o   46.572   4.1117  645.581  105.322  571.529  127.907  801.521  185.612   43.046   5.1449   50.098   6.4150 -7.052181 8.223302 
1 1 1   19   28  -18 o   11.621   3.9895 -173.1872   84.203 -148.2027  114.713 -202.3750  123.988   11.751   5.6652   11.490   5.6186 0.2606678 7.978932 
1 1 1   19   29  -18 o   30.871   4.1612  315.901   71.300  361.182   95.669  259.328  106.934   34.146   4.8512   27.596   6.7623 6.549471 8.322429 
1 1 1   19    0  -19 o   39.752   11.004  563.704  218.511  563.704  218.511   0.0000   0.0000   39.752   11.004   39.752   11.004 -0.000000 0.000000 
1 1 1   19    1  -19 o   15.984   5.0046 -36.1967   91.535 -23.5428  129.769 -48.7268  129.133   16.366   7.1739   15.602   6.9798 0.7641039 10.00914 
1 1 1   19    2  -19 o   19.944   5.4780   38.700  104.840 -155.4758  164.778  170.767  135.893   15.545   7.2867   24.343   8.1815 -8.797890 10.95593 
1 1 1   19    3  -19 o   17.043   5.2235 -15.7611   95.311   21.022  139.863 -47.6533  130.233   18.386   7.7389   15.700   7.0177 2.685610 10.44693 
1 1 1   19    4  -19 o   42.549   5.3208  543.518  124.258  514.822  156.929  591.749  203.446   41.580   6.5348   43.518   8.3987 -1.938728 10.64156 
1 1 1   19    5  -19 f   72.765   2.4582  1543.81  102.831  1553.44  139.184  1532.22  152.589   73.048   3.2991   72.482   3.6451 0.5653687 4.916364 
1 1 1   19    6  -19 o   12.687   5.9770 -118.7725  113.289   0.0000   0.0000 -118.7725  113.289  ?   ?    12.687   5.9770      ?      ? 
1 1 1   19    7  -19 o   44.001   4.4340  555.926  110.172  679.271  180.524  482.722  139.074   47.687   6.5546   40.314   5.9731 7.373207 8.867982 
1 1 1   19    8  -19 o   15.236   5.0957 -237.9920   95.247   17.973  197.307 -315.7625  108.758   21.223   9.0721   9.2493   4.6434 11.97358 10.19140 
1 1 1   19    9  -19 f   12.527   4.3812 -340.2806   98.945 -447.4768  122.060 -134.8535  168.972   8.9328   4.5347   16.121   7.4978 -7.188114 8.762446 
1 1 1   19   10  -19 o   42.751   5.6550  594.020  132.002  709.343  174.227  438.616  202.250   48.705   6.1937   36.797   9.4634 11.90809 11.31005 
1 1 1   19   11  -19 o   55.677   3.3571  907.302  104.247  944.559  172.724  885.953  130.745   56.420   5.3007   54.934   4.1210 1.486031 6.714176 
1 1 1   19   12  -19 o   18.402   5.4103   34.436   90.249   59.973  155.998   21.589  110.646   20.324   8.3292   16.480   6.9071 3.843761 10.82050 
1 1 1   19   13  -19 o   35.347   5.3122  379.326   85.450  407.689  199.674  372.967   94.545   35.178   9.5726   35.517   4.6092 -0.3385239 10.62446 
1 1 1   19   14  -19 f   19.776   6.1316 -10.5413  133.540 -77.1843  214.718   31.496  170.534   19.542   8.8488   20.009   8.4902 -0.4662609 12.26315 
1 1 1   19   15  -19 o   35.818   7.2150  423.382  142.195  418.436  162.922  439.194  291.313   35.961   8.0456   35.675   11.979 0.2862473 14.42996 
1 1 1   19   16  -19 o   18.697   5.8524 -51.6239  127.704 -144.7864  173.309   59.053  188.899   15.932   7.4696   21.462   9.0116 -5.530194 11.70485 
1 1 1   19   17  -19 o   18.445   5.3737   49.659   92.645   18.220  142.445   72.708  121.966   17.994   7.7006   18.895   7.4971 -0.9011040 10.74733 
1 1 1   19   18  -19 o   13.000   4.6846 -300.2657   87.687 -178.1872  224.245 -322.3019   95.273   17.890   8.4222   8.1093   4.1046 9.780804 9.369150 
1 1 1   19   19  -19 o   47.478   4.5478  640.342  112.371  839.864  222.107  571.702  130.274   51.474   7.4712   43.482   5.1875 7.991478 9.095517 
1 1 1   19   20  -19 o   44.017   5.6798  583.195  125.883  523.972  145.682  757.743  250.102   41.185   6.1247   46.848   9.5670 -5.663391 11.35955 
1 1 1   19   21  -19 o   37.417   5.8974  481.250  126.451  562.500  167.887  374.727  192.232   42.217   6.8857   32.617   9.5763 9.599846 11.79481 
1 1 1   19   22  -19 o   17.288   5.0827   45.463   79.851   27.989  142.225   53.506   96.494   17.999   7.6984   16.577   6.6385 1.421707 10.16534 
1 1 1   19   23  -19 o   24.059   6.2379  179.330  110.930  174.823  185.005  181.860  138.611   24.317   9.3532   23.801   8.2562 0.5152187 12.47589 
1 1 1   19   24  -19 o   13.690   4.6348 -168.2687  104.607 -207.1382  154.485 -135.3556  142.156   13.461   6.5104   13.920   6.5986 -0.4585896 9.269680 
1 1 1   19   25  -19 o   12.415   4.3705 -335.9029  116.216 -259.3165  139.354 -510.8188  210.601   11.766   5.7940   13.064   6.5448 -1.298653 8.740949 
1 1 1   19   26  -19 o   14.195   4.7281 -117.1485   96.113 -155.1143  122.042 -55.1456  155.962   12.171   5.8616   16.219   7.4203 -4.048339 9.456203 
1 1 1   19   27  -19 o   30.020   5.5956  329.883   95.505  355.316  113.626  268.668  176.281   32.934   6.2013   27.106   9.3160 5.827749 11.19123 
1 1 1   19   28  -19 o   12.282   4.1299 -94.2804   74.971 -71.3250   90.052 -146.1258  135.334   11.512   5.3931   13.052   6.2562 -1.539946 8.259871 
1 1 1   19    0  -20 o   7.7693   4.0086 -357.6020  108.317 -240.6630  133.492 -582.9746  185.322   7.9476   5.7332   7.5910   5.6041 -0.000000 0.000000 
1 1 1   19    1  -20 o   17.083   5.2051 -40.0224   92.912   78.038  153.955 -107.6543  116.525   21.002   8.3942   13.164   6.1571 7.837678 10.41017 
1 1 1   19    2  -20 o   50.762   5.7950  768.061  151.936  725.728  180.356  871.541  281.980   49.299   6.3344   52.226   9.7059 -2.927105 11.59004 
1 1 1   19    3  -20 o   22.889   5.8319  140.146   96.918  146.501  122.937  129.712  157.535   22.694   7.7809   23.084   8.6891 -0.3890285 11.66373 
1 1 1   19    4  -20 o   23.393   6.4293  122.672  124.233  180.395  144.605 -39.9964  242.750   24.866   8.4392   21.919   9.7016 2.947239 12.85851 
1 1 1   19    5  -20 o   25.754   6.0855  197.272  105.366  202.524  136.666  189.575  165.445   25.770   8.1770   25.738   9.0149 0.3125572E-01 12.17092 
1 1 1   19    6  -20 o   31.554   5.0398  311.248   89.582  296.236  123.168  328.108  130.527   30.747   7.0820   32.361   7.1724 -1.613251 10.07953 
1 1 1   19    7  -20 f   15.618   5.2355 -155.5860  113.957 -196.6328  212.063 -138.9204  135.125   17.425   8.1992   13.811   6.5128 3.613604 10.47106 
1 1 1   19    8  -20 o   16.571   5.3800 -63.3812  100.654 -123.4844  210.359 -45.5348  114.627   18.582   8.5438   14.560   6.5405 4.021426 10.75990 
1 1 1   19    9  -20 o   38.617   5.2531  445.589  113.469  586.726  180.280  352.998  146.020   43.917   7.1077   33.316   7.7371 10.60146 10.50622 
1 1 1   19   10  -20 o   14.424   4.9935 -285.9736  121.585 -249.6987  219.173 -302.0994  146.132   16.901   8.0631   11.946   5.8927 4.954341 9.986905 
1 1 1   19   11  -20 o   29.248   6.6806  267.609  119.017  269.931  137.807  260.792  236.100   29.009   7.9770   29.487   10.719 -0.4782715 13.36114 
1 1 1   19   12  -20 o   11.637   4.0213 -220.4157   87.805 -197.8503  132.863 -237.9132  116.995   12.506   6.0461   10.767   5.3036 1.739117 8.042603 
1 1 1   19   13  -20 o   20.365   5.1068  107.202   86.126 -74.3388  155.110  188.123  103.558   16.340   7.4462   24.391   6.9910 -8.050970 10.21369 
1 1 1   19   14  -20 o   14.598   7.1566 -639.4981  111.164 -756.1011  132.299 -359.4824  205.019  ?   ?    14.598   7.1566      ?      ? 
1 1 1   19   15  -20 o   30.829   5.6937  314.995   95.718  290.531  184.180  324.048  112.036   29.584   9.5038   32.074   6.2729 -2.489670 11.38736 
1 1 1   19   16  -20 o   17.745   5.1871   55.281   78.329 -123.7717  197.039   88.888   85.364   17.478   8.1182   18.013   6.4590 -0.5344715 10.37417 
1 1 1   19   17  -20 o   11.666   4.0128 -190.0634   79.458 -110.7267  131.386 -235.8139   99.772   13.893   6.5105   9.4386   4.6930 4.454195 8.025611 
1 1 1   19   18  -20 o   18.354   6.0931 -53.3468   89.361   44.058  298.517 -62.9344   93.655   24.440   10.791   12.268   5.6624 12.17206 12.18613 
1 1 1   19   19  -20 o   15.544   5.1157 -65.4939   96.549 -189.1883  209.713 -32.2251  108.760   16.842   7.9929   14.246   6.3871 2.595888 10.23140 
1 1 1   19   20  -20 o   12.002   4.1375 -202.4668   90.457 -197.6307  116.980 -209.6588  142.658   11.232   5.4851   12.772   6.1959 -1.539361 8.274995 
1 1 1   19   21  -20 o   19.917   5.4718   93.989   96.145 -50.9250  173.508  158.201  115.498   17.475   7.9294   22.359   7.5424 -4.884623 10.94365 
1 1 1   19   22  -20 o   50.429   5.5791  916.339  128.277  997.550  149.125  685.272  251.543   57.511   4.4897   43.347   10.215 14.16440 11.15823 
1 1 1   19   23  -20 o   32.001   5.5435  328.661   93.785  299.988  110.349  403.251  177.980   30.304   6.4998   33.699   8.9818 -3.394558 11.08691 
1 1 1   19   24  -20 f   13.721   4.5195 -88.0613   88.200 -41.6853  114.970 -154.3928  137.498   14.221   6.4536   13.220   6.3288 1.001043 9.038952 
1 1 1   19   25  -20 o   23.788   6.1364  187.526  113.945  242.179  143.285   93.504  187.934   26.270   8.3766   21.306   8.9695 4.963770 12.27273 
1 1 1   19   26  -20 o   16.035   4.9530  -0.5931   86.274 -41.2329  112.688   56.965  134.107   13.959   6.3557   18.111   7.5981 -4.151537 9.905905 
1 1 1   19    0  -21 o   12.839   6.1710 -92.6987  138.180 -93.4704  204.595 -92.0515  187.371   13.168   8.9390   12.510   8.5099 -0.000000 0.000000 
1 1 1   19    1  -21 o   60.494   2.7649  1071.92   91.260  1069.03  112.021  1077.64  157.364   60.526   3.2046   60.462   4.5065 0.6416702E-01 5.529758 
1 1 1   19    2  -21 o   11.740   4.0958 -292.6185   99.218 -305.9780  135.113 -276.9831  146.169   11.188   5.5452   12.292   6.0293 -1.104268 8.191541 
1 1 1   19    3  -21 o   25.463   5.8911  188.242  104.682   99.847  147.087  278.973  149.018   21.364   8.3056   29.561   8.3568 -8.196768 11.78212 
1 1 1   19    4  -21 o   45.170   4.3275  617.508  111.375  505.633  157.508  729.382  157.507   40.881   6.6711   49.458   5.5141 -8.576923 8.654977 
1 1 1   19    5  -21 f   11.967   4.2009 -256.9220   89.204 -225.9669  168.969 -268.8834  105.034   14.445   6.9418   9.4879   4.7331 4.957449 8.401841 
1 1 1   19    6  -21 o   10.916   3.8083 -241.5337   84.151 -316.5823  138.802 -197.9165  105.816   11.288   5.5992   10.545   5.1636 0.7426004 7.616646 
1 1 1   19    7  -21 o   31.718   6.4858  336.539  122.007  270.410  224.434  364.280  145.362   29.653   10.490   33.783   7.6304 -4.130175 12.97152 
1 1 1   19    8  -21 o   26.133   6.3133  203.977  112.723  234.361  178.144  183.689  145.573   27.520   9.3668   24.747   8.4671 2.772921 12.62651 
1 1 1   19    9  -21 o   38.422   6.4833  452.076  133.042  389.499  158.690  600.106  244.073   34.688   8.0727   42.156   10.147 -7.468178 12.96651 
1 1 1   19   10  -21 o   27.192   8.6214  236.283  151.947  236.283  151.947   0.0000   0.0000   27.192   8.6214  ?   ?       ?      ? 
1 1 1   19   11  -21 o   16.370   5.3285 -63.7679  105.146 -258.5554  227.302 -10.7393  118.598   17.005   8.1397   15.735   6.8788 1.269539 10.65701 
1 1 1   19   12  -21 o   19.414   5.6314   18.058  102.553  157.134  168.063 -64.4492  129.447   23.919   8.9804   14.909   6.7974 9.009953 11.26286 
1 1 1   19   13  -21 o   32.537   5.7924  365.744  102.325  394.966  117.434  273.595  208.537   36.091   5.6338   28.983   10.123 7.108271 11.58488 
1 1 1   19   14  -21 o   21.575   5.4222  110.315   94.529  -8.8653  133.508  230.125  133.861   16.606   7.2780   26.544   8.0394 -9.937969 10.84439 
1 1 1   19   15  -21 o   17.496   5.4555  -6.9732  105.101 -147.3968  200.858   45.971  123.333   17.184   8.0518   17.807   7.3634 -0.6237011 10.91104 
1 1 1   19   16  -21 o   13.748   4.6181 -164.2326  101.670 -257.6642  148.825 -82.4703  139.221   12.518   6.1286   14.978   6.9100 -2.459841 9.236229 
1 1 1   19   17  -21 o   18.331   5.7222   3.2285  109.173   10.600  128.928 -15.4505  205.232   16.820   7.2636   19.843   8.8438 -3.023422 11.44433 
1 1 1   19   18  -21 o   19.924   5.2900   16.129   77.793  262.875  165.482 -53.8679   88.139   27.804   9.0165   12.044   5.5352 15.76000 10.57997 
1 1 1   19   19  -21 o   11.341   4.0160 -226.9445   80.537 -261.1819  170.465 -217.1061   91.379   13.683   6.6685   8.9987   4.4770 4.684532 8.031972 
1 1 1   19   20  -21 o   28.243   5.3374  277.274   82.528  224.949  168.588  293.764   94.644   25.993   9.1003   30.492   5.5800 -4.498308 10.67482 
1 1 1   19   21  -21 o   18.231   5.3657   46.868   80.321  100.356  168.384   31.112   91.388   21.232   8.6719   15.230   6.3214 6.001726 10.73135 
1 1 1   19   22  -21 o   14.176   4.8080 -177.3704  112.542 -187.2951  169.698 -169.5781  150.366   14.584   6.9947   13.769   6.5985 0.8154011 9.615917 
1 1 1   19   23  -21 o   33.578   5.3371  396.221   99.947  439.409  124.639  318.425  167.284   37.444   5.7636   29.713   8.9845 7.730955 10.67428 
1 1 1   19   24  -21 o   41.571   5.1005  558.355  111.419  526.426  134.356  628.668  199.380   40.908   5.6867   42.234   8.4688 -1.325687 10.20096 
1 1 1   19   25  -21 o   42.963   4.3783  595.470  108.299  554.645  154.593  634.813  151.763   41.302   6.4809   44.623   5.8887 -3.321667 8.756618 
1 1 1   19    0  -22 o   30.850   9.7436  358.541  152.614  358.541  152.614   0.0000   0.0000   30.850   9.7436   30.850   9.7436 -0.000000 0.000000 
1 1 1   19    1  -22 o   22.630   6.4390   97.220  124.642   77.988  155.638  131.613  208.128   20.771   8.3910   24.488   9.7691 -3.717056 12.87801 
1 1 1   19    2  -22 o   17.068   5.2270 -12.8993   97.029 -72.4191  136.531   47.836  137.919   15.261   6.9667   18.875   7.7943 -3.614217 10.45396 
1 1 1   19    3  -22 o   29.471   5.7838  279.843  100.960  289.123  156.486  273.227  132.140   29.809   8.6083   29.133   7.7269 0.6758327 11.56751 
1 1 1   19    4  -22 o   27.441   5.9715  184.074  105.232   79.173  126.875  415.310  188.371   19.501   7.6753   35.381   9.1502 -15.87933 11.94304 
1 1 1   19    5  -22 o   37.858   5.2115  450.292  109.159  510.590  166.560  404.895  144.523   40.056   7.4748   35.660   7.2640 4.395790 10.42297 
1 1 1   19    6  -22 f   22.201   7.2056 -118.4523  210.671 -80.1132  291.873 -160.1495  304.388   22.598   10.266   21.803   10.114 0.7947903 14.41130 
1 1 1   19    7  -22 o   36.075   6.6875  489.203  151.374  601.019  176.929  183.813  292.399   44.136   6.9409   28.013   11.433 16.12301 13.37491 
1 1 1   19    8  -22 f   12.672   4.3549 -202.7635   94.978 -215.9359  159.320 -195.5012  118.298   13.879   6.6873   11.465   5.5805 2.413213 8.709866 
1 1 1   19    9  -22 o   25.715   5.5817  215.059   91.827  170.581  142.986  246.281  119.796   23.845   8.3790   27.585   7.3765 -3.739304 11.16337 
1 1 1   19   10  -22 o   39.882   5.4177  508.149  119.289  504.009  152.854  514.598  190.780   40.423   6.5472   39.341   8.6335 1.082397 10.83533 
1 1 1   19   11  -22 o   15.588   5.1842 -137.0558  117.466 -190.3504  190.287 -104.2422  149.312   15.979   7.5921   15.197   7.0616 0.7813225 10.36849 
1 1 1   19   12  -22 o   22.239   6.7146   44.578  129.004  168.213  273.702   9.2689  146.270   26.661   10.992   17.817   7.7153 8.844387 13.42923 
1 1 1   19   13  -22 o   19.349   5.8178   47.055  107.137   76.482  124.768 -35.5540  209.048   19.027   7.5723   19.670   8.8345 -0.6427345 11.63564 
1 1 1   19   14  -22 o   28.473   5.7592  267.783   98.996  307.735  150.408  237.247  131.494   30.191   8.3467   26.754   7.9378 3.437073 11.51849 
1 1 1   19   15  -22 o   22.232   5.6406   87.251   94.072  289.147  168.239  -4.5869  113.468   29.055   9.0521   15.408   6.7323 13.64697 11.28116 
1 1 1   19   16  -22 o   23.697   6.2823  165.859  116.129  174.065  168.296  158.400  160.447   24.088   8.9977   23.306   8.7698 0.7812595 12.56457 
1 1 1   19   17  -22 o   20.667   5.9685   74.899   97.746  153.405  202.718   51.117  111.573   24.082   9.6297   17.252   7.0541 6.829941 11.93695 
1 1 1   19   18  -22 o   11.569   3.8890 -95.5652   66.460 -119.5025  115.836 -83.8188   81.144   12.526   5.9435   10.612   5.0172 1.914451 7.778043 
1 1 1   19   19  -22 o   17.602   5.3248   36.279   91.805 -169.3443  211.398   84.072  101.917   17.032   8.0663   18.172   6.9534 -1.140003 10.64965 
1 1 1   19   20  -22 o   15.366   5.1525 -99.5702   91.982 -43.7237  210.182 -112.7997  102.299   19.104   8.6912   11.628   5.5369 7.475845 10.30507 
1 1 1   19   21  -22 o   23.714   5.6720  181.614   95.043  249.316  136.996  118.791  131.967   26.822   8.1351   20.607   7.9059 6.214071 11.34390 
1 1 1   19   22  -22 o   23.237   5.9255  178.333  100.759  196.855  123.906  142.173  173.126   24.056   7.8022   22.417   8.9203 1.638741 11.85094 
1 1 1   19   23  -22 o   14.657   4.8991 -135.9460  111.627 -235.1229  168.663 -58.6445  148.905   13.664   6.6533   15.650   7.1930 -1.986133 9.798211 
1 1 1   19   24  -22 o   33.554   6.0270  425.747  113.625  366.046  204.270  452.496  136.731   30.376   10.026   36.733   6.6916 -6.357143 12.05404 
1 1 1   19    0  -23 o   21.285   7.4756  140.271  112.055   47.721  132.557  372.005  209.752   13.643   8.4538   28.928   12.332 -0.000000 0.000000 
1 1 1   19    1  -23 o   17.798   4.6810   31.031   77.299  167.432  108.580 -109.1398  110.070   23.119   7.2835   12.477   5.8821 10.64187 9.362052 
1 1 1   19    2  -23 o   42.609   4.8554  562.305  112.504  545.078  141.227  592.225  186.119   42.384   5.7694   42.835   7.8111 -0.4508476 9.710787 
1 1 1   19    3  -23 o   20.810   5.7396   43.476  108.512 -83.2403  142.548  218.089  167.334   15.284   7.0296   26.336   9.0750 -11.05174 11.47919 
1 1 1   19    4  -23 o   29.430   6.6525  303.184  118.175  336.301  128.485  121.305  301.101   32.343   7.0751   26.517   11.268 5.825928 13.30506 
1 1 1   19    5  -23 o   23.304   5.4922  156.291   85.843  227.870  138.619  111.764  109.331   26.493   8.2106   20.114   7.2966 6.378674 10.98432 
1 1 1   19    6  -23 o   17.495   5.4399 -34.4375  100.406   70.069  176.757 -84.2238  122.000   21.110   8.7791   13.880   6.4263 7.229744 10.87978 
1 1 1   19    7  -23 o   14.069   4.7809 -196.8555  112.055 -131.2823  139.567 -315.7951  187.967   14.032   6.6177   14.106   6.9018 -0.7316399E-01 9.561888 
1 1 1   19    8  -23 o   23.563   5.7435  143.326   97.599  275.216  157.114   60.449  124.544   28.696   8.7138   18.430   7.4847 10.26678 11.48702 
1 1 1   19    9  -23 o   27.721   6.0987  255.585  107.779  256.913  145.458  253.968  160.495   27.796   8.3718   27.645   8.8708 0.1516304 12.19746 
1 1 1   19   10  -23 o   13.220   4.5328 -220.5956  106.251 -239.4972  142.372 -196.8349  159.627   12.366   6.0413   14.075   6.7594 -1.709135 9.065667 
1 1 1   19   11  -23 o   15.830   5.1340 -75.8444  105.301 -96.6229  139.410 -48.2412  160.682   14.663   6.8167   16.996   7.6789 -2.332336 10.26809 
1 1 1   19   12  -23 o   24.785   5.7267  200.254   99.434  109.289  153.199  266.468  130.705   21.300   8.4178   28.269   7.7667 -6.969635 11.45341 
1 1 1   19   13  -23 o   47.869   3.7628  681.937  102.242  792.843  164.048  611.497  130.739   50.843   5.5867   44.895   5.0422 5.947556 7.525597 
1 1 1   19   14  -23 o   12.371   4.2677 -245.0613  101.392 -151.9823  136.361 -360.1569  151.633   13.318   6.3554   11.425   5.6974 1.892763 8.535340 
1 1 1   19   15  -23 o   22.452   5.6466  136.331   98.738   37.553  136.383  245.132  143.135   17.989   7.6107   26.915   8.3436 -8.925762 11.29329 
1 1 1   19   16  -23 o   16.707   5.4149 -80.6862  116.713  -7.2680  180.902 -133.0383  152.759   18.781   8.3408   14.633   6.9077 4.148598 10.82980 
1 1 1   19   17  -23 o   19.590   5.5290   64.693  102.486 -53.9095  150.466  167.334  139.976   16.115   7.3398   23.065   8.2708 -6.950193 11.05803 
1 1 1   19   18  -23 o   24.326   5.6236  180.120   86.402  263.574  153.570  141.468  104.513   27.503   8.6616   21.148   7.1746 6.354601 11.24716 
1 1 1   19   19  -23 o   24.381   6.7882  173.413  134.382  217.016  231.675  151.305  164.970   26.045   10.333   22.718   8.8059 3.326612 13.57631 
1 1 1   19   20  -23 o   31.235   5.9191  334.896   90.980  333.157  231.476  335.214   98.943   29.561   10.632   32.910   5.2056 -3.349266 11.83811 
1 1 1   19   21  -23 o   25.590   5.7054  233.743   98.288  153.727  152.856  290.149  128.337   22.288   8.5186   28.893   7.5919 -6.605085 11.41071 
1 1 1   19   22  -23 o   33.254   7.4947  452.366  154.833  460.384  176.722  425.882  321.188   35.482   8.6924   31.026   12.212 4.455282 14.98948 
1 1 1   19    0  -24 o   46.136   8.0570  742.664  179.154  865.311  304.127  677.486  221.705   48.201   12.644   44.070   9.9895 -0.000000 0.000000 
1 1 1   19    1  -24 o   15.803   5.1318 -66.4141   94.591 -33.7759  180.313 -78.8065  111.107   18.406   8.2401   13.200   6.1189 5.205965 10.26353 
1 1 1   19    2  -24 o   13.164   4.5811 -295.5284  112.263 -346.5662  141.435 -208.6153  184.566   10.998   5.4875   15.330   7.3372 -4.331951 9.162260 
1 1 1   19    3  -24 o   21.359   5.4175   98.617   92.829  235.447  140.404  -7.6436  123.731   26.712   8.2609   16.006   7.0110 10.70542 10.83492 
1 1 1   19    4  -24 o   19.557   5.6432   47.241  100.466 -13.5999  127.786  145.719  162.577   16.063   7.0777   23.051   8.7913 -6.988340 11.28633 
1 1 1   19    5  -24 o   13.928   4.6523 -104.4347   85.906 -98.9504  164.198 -106.5017  100.803   16.100   7.4546   11.756   5.5681 4.344804 9.304567 
1 1 1   19    6  -24 o   15.658   5.1182 -67.0758  101.075 -310.7418  222.396  -3.6428  113.471   15.847   7.6990   15.468   6.7460 0.3796759 10.23642 
1 1 1   19    7  -24 o   21.884   5.8703  125.734   94.665  148.679  177.994  116.685  111.785   23.490   9.1354   20.278   7.3747 3.212276 11.74059 
1 1 1   19    8  -24 o   17.338   5.3190   8.8193   98.057   3.2980  131.249   15.794  147.519   16.717   7.2738   17.960   7.7627 -1.242718 10.63803 
1 1 1   19    9  -24 f   37.088   5.5370  375.677   98.874  643.031  218.168  306.571  110.918   43.303   9.0164   30.873   6.4295 12.42990 11.07405 
1 1 1   19   10  -24 o   42.729   5.1957  552.137  113.022  689.277  218.556  502.074  132.050   45.043   8.7164   40.415   5.6573 4.628296 10.39143 
1 1 1   19   11  -24 o   12.093   4.1061 -152.9782   82.312 -110.2602  123.290 -187.3312  110.562   13.262   6.2439   10.925   5.3343 2.337611 8.212244 
1 1 1   19   12  -24 o   19.377   6.0490  -4.4383  133.322 -55.9962  183.586   53.093  193.930   17.857   8.1235   20.897   8.9651 -3.039747 12.09808 
1 1 1   19   13  -24 o   13.779   4.5412 -93.6531   89.140 -164.0746  140.261 -45.9387  115.454   13.319   6.3805   14.238   6.4637 -0.9190454 9.082376 
1 1 1   19   14  -24 o   25.084   5.8134  210.352   96.000  197.786  156.768  217.890  121.430   24.666   8.7626   25.503   7.6420 -0.8370457 11.62688 
1 1 1   19   15  -24 o   18.162   5.2277   42.490   95.351 -107.9184  154.837  134.377  121.022   15.180   7.0991   21.143   7.6757 -5.962558 10.45535 
1 1 1   19   16  -24 o   20.715   5.8009  102.342  103.246  155.583  156.065   60.906  137.680   22.763   8.6297   18.668   7.7545 4.094959 11.60189 
1 1 1   19   17  -24 o   13.208   4.5967 -298.7167  116.671 -185.2537  182.880 -376.5903  151.508   15.262   7.3042   11.155   5.5828 4.106833 9.193438 
1 1 1   19   18  -24 o   17.126   5.8243 -85.9440  115.277 -229.1617  323.607 -65.1288  123.370   20.149   9.6624   14.103   6.5058 6.045654 11.64855 
1 1 1   19   19  -24 f   16.900   5.5617 -89.2630  131.763 -263.7858  234.892  -9.1329  159.162   16.446   7.9718   17.355   7.7577 -0.9094887 11.12348 
1 1 1   19   20  -24 o   26.585   6.7846  259.737  133.256  293.188  196.413  231.209  181.388   27.760   9.8140   25.411   9.3708 2.349596 13.56928 
1 1 1   19    0  -25 o   8.7677   4.5080 -372.8612  129.432 -408.3896  187.008 -340.1926  179.324   8.6452   6.3051   8.8902   6.4448 -0.000000 0.000000 
1 1 1   19    1  -25 o   32.541   5.6711  358.414  106.431  311.639  153.550  401.666  147.654   30.235   8.4604   34.847   7.5544 -4.611956 11.34226 
1 1 1   19    2  -25 o   29.573   5.4743  312.684  101.774  415.231  130.178  151.464  163.225   36.014   6.4978   23.131   8.8119 12.88215 10.94861 
1 1 1   19    3  -25 o   12.659   4.3276 -189.1389   93.887 -221.9373  123.490 -144.2125  144.530   11.325   5.5525   13.993   6.6394 -2.668179 8.655146 
1 1 1   19    4  -25 o   20.830   5.8583  100.774  104.982   88.670  140.600  116.025  157.824   20.023   8.0152   21.636   8.5461 -1.612963 11.71661 
1 1 1   19    5  -25 o   15.685   5.4659 -216.9134  124.995 -362.0661  303.451 -187.2524  137.173   18.602   9.0270   12.769   6.1657 5.832978 10.93171 
1 1 1   19    6  -25 o   33.979   4.6354  376.401   87.161  322.179  134.113  416.052  114.684   31.083   7.5465   36.876   5.3849 -5.793324 9.270731 
1 1 1   19    7  -25 o   13.345   4.7963 -319.7488  112.375 -276.1549  121.756 -570.3846  291.944   10.466   5.2004   16.225   8.0607 -5.759502 9.592656 
1 1 1   19    8  -25 o   38.954   4.3503  495.163   88.630  535.040  110.556  423.434  148.273   42.137   4.5429   35.770   7.4205 6.366825 8.700626 
1 1 1   19    9  -25 o   21.264   5.9539  106.630  107.899  153.633  165.905   72.177  142.043   23.131   8.8667   19.398   7.9485 3.733576 11.90787 
1 1 1   19   10  -25 o   42.641   5.1305  542.591  100.210  686.163  225.450  507.242  111.868   44.366   9.1037   40.915   4.7341 3.451374 10.26109 
1 1 1   19   11  -25 o   23.437   5.3976  183.242   89.254   84.727  146.183  241.795  112.700   19.936   8.1041   26.939   7.1316 -7.003160 10.79521 
1 1 1   19   12  -25 o   18.417   5.3260   53.093   94.538 -32.4279  141.793  121.535  126.847   16.135   7.2588   20.699   7.7959 -4.564072 10.65209 
1 1 1   19   13  -25 o   28.220   6.1661  281.397  112.463  227.327  165.884  327.388  152.990   25.839   9.0281   30.601   8.4008 -4.762339 12.33211 
1 1 1   19   14  -25 o   22.210   5.4446  120.304   99.305  285.189  143.057 -33.0387  137.959   28.587   8.2235   15.833   7.1379 12.75421 10.88922 
1 1 1   19   15  -25 o   38.406   5.7001  480.275  123.897  349.462  158.497  685.790  198.663   31.347   8.5281   45.466   7.5656 -14.11943 11.40030 
1 1 1   19   16  -25 o   24.620   5.6022  180.486   84.427  299.671  158.086  132.929   99.860   28.812   8.7389   20.427   7.0122 8.384703 11.20445 
1 1 1   19   17  -25 o   12.325   4.1973 -149.6675   87.391 -191.0620  138.314 -122.1622  112.747   12.560   6.0949   12.091   5.7725 0.4690084 8.394617 
1 1 1   19   18  -25 o   29.419   7.7175  305.695  132.758   0.0000   0.0000  305.695  132.758  ?   ?    29.419   7.7175      ?      ? 
1 1 1   19    0  -26 o   51.474   7.9637  863.346  219.877  863.346  219.877   0.0000   0.0000   51.474   7.9637   51.474   7.9637 -0.000000 0.000000 
1 1 1   19    1  -26 o   38.452   6.0978  461.354  135.419   0.0000   0.0000  461.354  135.419  ?   ?    38.452   6.0978      ?      ? 
1 1 1   19    2  -26 o   31.169   6.1704  352.371  121.096  223.691  191.177  438.597  156.495   26.159   9.6243   36.179   7.7246 -10.01978 12.34085 
1 1 1   19    3  -26 o   39.175   5.4144  420.520  105.266  323.537  119.889  746.935  219.947   31.427   6.8025   46.924   8.4256 -15.49669 10.82890 
1 1 1   19    4  -26 o   21.860   6.0224  117.801  110.498  189.520  166.912   61.847  147.431   24.486   8.9952   19.235   8.0100 5.251507 12.04471 
1 1 1   19    5  -26 o   28.794   7.5521  227.608  142.950  470.846  308.850  161.293  161.264   34.339   12.289   23.250   8.7824 11.08805 15.10427 
1 1 1   19    6  -26 o   41.012   4.4905  528.608  106.210  555.465  155.356  505.040  145.531   41.954   6.4116   40.069   6.2887 1.884888 8.980928 
1 1 1   19    7  -26 o   25.238   6.0151  216.630  112.992   71.202  189.029  297.480  140.944   21.042   8.9343   29.433   8.0563 -8.391365 12.03017 
1 1 1   19    8  -26 o   41.894   7.1215  580.885  143.071  541.421  158.646  752.780  331.104   41.210   6.6657   42.578   12.587 -1.368130 14.24310 
1 1 1   19    9  -26 o   25.501   5.7703  213.706   93.489  187.887  117.446  258.361  154.458   23.770   7.5843   27.232   8.6985 -3.461750 11.54060 
1 1 1   19   10  -26 o   15.939   5.0384 -38.6208   95.341 -96.3650  126.232   38.065  145.471   13.639   6.3883   18.239   7.7929 -4.599668 10.07672 
1 1 1   19   11  -26 o   40.193   3.6648  498.059   85.055  508.931  121.769  487.702  118.856   40.617   5.1909   39.769   5.1747 0.8482895 7.329595 
1 1 1   19   12  -26 o   17.841   5.3179   46.249   94.061  -3.3226  150.920   77.734  120.278   17.222   7.6348   18.460   7.4048 -1.237701 10.63586 
1 1 1   19   13  -26 o   15.247   4.7513  -4.1995   81.488  -6.9543  115.992  -1.5149  114.504   15.207   6.7196   15.287   6.7190 -0.8040428E-01 9.502532 
1 1 1   19   14  -26 o   19.646   5.2596  112.299   81.751   77.621  135.900  131.963  102.337   18.935   7.7686   20.356   7.0923 -1.421715 10.51912 
1 1 1   19   15  -26 o   15.110   4.9207 -60.5309   99.358 -77.4566  142.705 -44.6062  138.420   14.856   6.9032   15.364   7.0143 -0.5083399 9.841444 
1 1 1   19   16  -26 o   24.249   5.4374  197.837  104.136  -9.8648  162.446  342.736  135.682   17.301   7.7778   31.197   7.6005 -13.89564 10.87480 
1 1 1   19    0  -27 o   16.760   9.7697  121.937  156.585  121.937  156.585   0.0000   0.0000   16.760   9.7697   16.760   9.7697 -0.000000 0.000000 
1 1 1   19    1  -27 o   13.150   4.5196 -212.0654  106.821 -127.9849  128.455 -400.5488  192.327   13.146   6.2436   13.154   6.5363 -0.8563995E-02 9.039160 
1 1 1   19    2  -27 o   11.626   4.0843 -313.9109  104.393 -271.3627  134.765 -377.7475  165.071   11.319   5.5972   11.933   5.9496 -0.6137581 8.168647 
1 1 1   19    3  -27 o   21.999   5.6894  147.939   95.788  183.869  130.720  106.274  140.765   23.587   8.0238   20.410   8.0681 3.176844 11.37873 
1 1 1   19    4  -27 o   18.865   5.5047   40.676   97.668  150.216  157.616 -27.6002  124.438   22.531   8.6410   15.199   6.8221 7.331193 11.00941 
1 1 1   19    5  -27 o   22.891   6.4792  143.792  130.962  179.891  170.632   92.043  204.297   23.879   9.0305   21.904   9.2934 1.975086 12.95830 
1 1 1   19    6  -27 o   17.655   5.9569 -117.0418  122.716 -34.7443  290.985 -134.8448  135.340   21.892   10.059   13.418   6.3834 8.473328 11.91382 
1 1 1   19    7  -27 o   10.516   3.7380 -391.9789  101.340 -403.5237  143.531 -380.5029  143.102   10.422   5.2457   10.610   5.3266 -0.1883926 7.475923 
1 1 1   19    8  -27 o   13.293   4.6334 -295.1562  122.764 -241.8643  152.930 -391.7300  205.870   12.759   6.2393   13.826   6.8516 -1.067118 9.266732 
1 1 1   19    9  -27 o   33.101   5.9227  397.979  112.321  348.279  183.639  427.685  141.974   30.564   9.4467   35.638   7.1466 -5.073332 11.84547 
1 1 1   19   10  -27 o   28.845   6.0580  298.514  105.217  299.701  181.581  297.914  129.100   28.392   9.4568   29.298   7.5740 -0.9056511 12.11600 
1 1 1   19   11  -27 o   19.554   7.9166   93.031  138.865   93.031  138.865   0.0000   0.0000   19.554   7.9166  ?   ?       ?      ? 
1 1 1   19   12  -27 o   26.585   5.9412  239.172   97.012  316.520  171.410  202.720  117.671   29.016   9.1524   24.154   7.5779 4.861584 11.88235 
1 1 1   19   13  -27 o   19.545   6.3778 -61.4261  134.352 -124.4752  151.596  169.383  290.051   14.357   6.8083   24.734   10.787 -10.37737 12.75551 
1 1 1   19    0  -28 o   8.1329   5.9909 -558.6342  201.716 -558.6342  201.716   0.0000   0.0000   8.1329   5.9909   8.1329   5.9909 -0.000000 0.000000 
1 1 1   19    1  -28 o   13.858   4.7635 -236.2539  121.610 -152.7962  155.089 -369.4902  195.957   14.191   6.7739   13.525   6.6990 0.6667395 9.526964 
1 1 1   19    2  -28 o   29.141   5.6306  299.338   97.464  293.391  140.244  304.893  135.547   28.781   8.0968   29.501   7.8266 -0.7196999 11.26113 
1 1 1   19    3  -28 f   17.165   5.6215 -56.2486  120.667 -81.2646  226.669 -46.3555  142.544   18.716   8.6979   15.613   7.1239 3.103523 11.24297 
1 1 1   19    4  -28 o   35.429   7.2046  480.829  139.670  500.121  311.006  475.955  156.320   33.604   12.289   37.255   7.5243 -3.650696 14.40929 
1 1 1   19    5  -28 o   40.021   4.2934  522.556   94.394  406.680  134.058  636.499  132.935   34.764   6.9202   45.277   5.0837 -10.51279 8.586786 
1 1 1   19    6  -28 o   14.258   4.7700 -178.3694  107.075 -325.3008  146.061  -7.6705  157.432   11.278   5.6190   17.238   7.7096 -5.960151 9.539982 
1 1 1   19    7  -28 o   19.356   6.0297   31.034  131.771   66.925  185.054  -5.8836  187.680   20.191   8.7108   18.520   8.3397 1.670254 12.05939 
1 1 1   19    8  -28 o   14.877   4.8020 -70.9458   98.857   33.456  119.559 -296.6030  175.773   16.557   7.0694   13.198   6.5008 3.359178 9.604017 
1 1 1   20    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    3    0 o   40.611   14.014  629.369  296.042   0.0000   0.0000  629.369  296.042   40.611   14.014   40.611   14.014 -0.000000 0.000000 
1 1 1   20    4    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    7    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    8    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   13    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   16    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   18    0 o  122.969   4.0740  4398.33  288.614   0.0000   0.0000  4398.33  288.614  122.969   4.0740  122.969   4.0740 -0.000000 0.000000 
1 1 1   20   19    0 o   9.2849   6.8307 -727.9460  255.444   0.0000   0.0000 -727.9460  255.444   9.2849   6.8307   9.2849   6.8307 -0.000000 0.000000 
1 1 1   20   20    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   21    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   22    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   23    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   24    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   25    0 o   16.389   10.554   24.420  230.201   0.0000   0.0000   24.420  230.201   16.389   10.554   16.389   10.554 -0.000000 0.000000 
1 1 1   20   26    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   27    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   28    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   29    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   30    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   31    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   32    0 o   28.604   14.926  443.715  322.478  443.715  322.478   0.0000   0.0000   28.604   14.926   28.604   14.926 -0.000000 0.000000 
1 1 1   20   33    0 o   27.025   14.705  406.910  324.388  406.910  324.388   0.0000   0.0000   27.025   14.705   27.025   14.705 -0.000000 0.000000 
1 1 1   20   34    0 o   55.148   11.900  1120.51  332.503  1120.51  332.503   0.0000   0.0000   55.148   11.900   55.148   11.900 -0.000000 0.000000 
1 1 1   20   35    0 o   20.765   12.454  218.965  267.805  218.965  267.805   0.0000   0.0000   20.765   12.454   20.765   12.454 -0.000000 0.000000 
1 1 1   20    0   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    3   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   -1 o   46.454   11.045  667.375  291.990   0.0000   0.0000  667.375  291.990  ?   ?    46.454   11.045      ?      ? 
1 1 1   20    7   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    8   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   -1 o   61.124   8.5428  1102.58  301.577  1102.58  301.577   0.0000   0.0000   61.124   8.5428  ?   ?       ?      ? 
1 1 1   20   12   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   13   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   16   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   18   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   19   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20   -1 o   27.121   10.709  146.047  247.779   0.0000   0.0000  146.047  247.779  ?   ?    27.121   10.709      ?      ? 
1 1 1   20   21   -1 o   21.980   9.7148 -47.5785  242.577   0.0000   0.0000 -47.5785  242.577  ?   ?    21.980   9.7148      ?      ? 
1 1 1   20   22   -1 o   16.103   7.8598 -413.1091  239.431   0.0000   0.0000 -413.1091  239.431  ?   ?    16.103   7.8598      ?      ? 
1 1 1   20   23   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   24   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   25   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   26   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   27   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   28   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   29   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   30   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   31   -1 o   31.469   12.386  356.107  330.457   0.0000   0.0000  356.107  330.457  ?   ?    31.469   12.386      ?      ? 
1 1 1   20   32   -1 o   57.524   8.7895  1121.28  292.008   0.0000   0.0000  1121.28  292.008  ?   ?    57.524   8.7895      ?      ? 
1 1 1   20   33   -1 o   45.818   6.4935  643.497  211.573  -7.5797  271.770  1645.16  337.090   21.895   9.9307   69.740   8.3691 -47.84540 12.98693 
1 1 1   20   34   -1 o   33.543   8.8276  478.657  232.146  349.527  317.222  627.552  340.634   29.869   12.010   37.217   12.941 -7.347597 17.65516 
1 1 1   20   35   -1 o   42.476   4.9092  559.088  120.431  559.088  120.431   0.0000   0.0000   42.476   4.9092  ?   ?       ?      ? 
1 1 1   20    0   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   -2 o   47.041   11.355  684.501  304.991  684.501  304.991   0.0000   0.0000   47.041   11.355  ?   ?       ?      ? 
1 1 1   20    2   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    3   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   -2 o   28.125   11.431  104.951  290.767   0.0000   0.0000  104.951  290.767  ?   ?    28.125   11.431      ?      ? 
1 1 1   20    7   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    8   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12   -2 o   56.841   8.8594  956.319  290.838   0.0000   0.0000  956.319  290.838  ?   ?    56.841   8.8594      ?      ? 
1 1 1   20   13   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   16   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   18   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   19   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   21   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   22   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   23   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   24   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   25   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   26   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   27   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   28   -2 o   14.068   6.9806 -458.2987  216.366   0.0000   0.0000 -458.2987  216.366  ?   ?    14.068   6.9806      ?      ? 
1 1 1   20   29   -2 o   13.389   6.8142 -1022.1520  288.719   0.0000   0.0000 -1022.1520  288.719  ?   ?    13.389   6.8142      ?      ? 
1 1 1   20   30   -2 o   23.349   10.486   2.4511  294.479   0.0000   0.0000   2.4511  294.479  ?   ?    23.349   10.486      ?      ? 
1 1 1   20   31   -2 o   15.445   7.7414 -698.2433  296.454   0.0000   0.0000 -698.2433  296.454  ?   ?    15.445   7.7414      ?      ? 
1 1 1   20   32   -2 o   51.489   11.857  1029.76  345.295   0.0000   0.0000  1029.76  345.295  ?   ?    51.489   11.857      ?      ? 
1 1 1   20   33   -2 o   44.430   6.9308  649.284  118.142  628.203  125.412  815.462  352.106   45.379   4.7852   43.481   13.009 1.897305 13.86163 
1 1 1   20   34   -2 o   25.804   7.5517  103.119  129.237   42.868  138.409  513.052  361.029   17.925   7.6288   33.683   13.035 -15.75720 15.10339 
1 1 1   20   35   -2 o   21.521   6.4979  111.629  129.111  159.928  137.734 -238.2689  370.717   22.118   8.1639   20.924   10.111 1.194536 12.99573 
1 1 1   20    0   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   -3 f   53.830   10.275  885.265  307.783  885.265  307.783   0.0000   0.0000   53.830   10.275  ?   ?       ?      ? 
1 1 1   20    2   -3 o   24.785   10.891 -65.2124  300.714   0.0000   0.0000 -65.2124  300.714  ?   ?    24.785   10.891      ?      ? 
1 1 1   20    3   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4   -3 o   72.744   7.5245  1550.13  316.127  1550.13  316.127   0.0000   0.0000   72.744   7.5245  ?   ?       ?      ? 
1 1 1   20    5   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   -3 o   59.240   8.7155  1033.69  298.193   0.0000   0.0000  1033.69  298.193  ?   ?    59.240   8.7155      ?      ? 
1 1 1   20    7   -3 f   19.831   9.4107 -343.8760  290.629   0.0000   0.0000 -343.8760  290.629  ?   ?    19.831   9.4107      ?      ? 
1 1 1   20    8   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12   -3 o   30.847   11.533  225.273  276.616   0.0000   0.0000  225.273  276.616  ?   ?    30.847   11.533      ?      ? 
1 1 1   20   13   -3 o   32.759   11.531  291.817  270.894   0.0000   0.0000  291.817  270.894  ?   ?    32.759   11.531      ?      ? 
1 1 1   20   14   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   16   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   18   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   19   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   21   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   22   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   23   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   24   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   25   -3 o   50.853   7.4947  795.601  220.120   0.0000   0.0000  795.601  220.120  ?   ?    50.853   7.4947      ?      ? 
1 1 1   20   26   -3 o   19.545   8.8357 -68.4552  213.090   0.0000   0.0000 -68.4552  213.090  ?   ?    19.545   8.8357      ?      ? 
1 1 1   20   27   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   28   -3 o   19.618   9.3787 -285.4668  299.683   0.0000   0.0000 -285.4668  299.683  ?   ?    19.618   9.3787      ?      ? 
1 1 1   20   29   -3 o   32.338   8.1194  231.069  212.388 -65.8352  266.956  743.088  350.570   21.367   9.7495   43.308   12.986 -21.94071 16.23878 
1 1 1   20   30   -3 o   54.880   7.6463  1171.35  232.838  1549.70  308.706  672.116  354.611   69.259   7.7176   40.502   13.202 28.75684 15.29270 
1 1 1   20   31   -3 o   23.826   7.5322 -172.7558  228.693 -538.9548  301.006  327.253  351.727   16.804   8.3196   30.847   12.559 -14.04333 15.06439 
1 1 1   20   32   -3 o   32.915   8.5421  425.167  214.900  490.238  299.084  355.715  308.988   34.904   12.127   30.926   12.034 3.977266 17.08411 
1 1 1   20   33   -3 f   22.922   6.7932  132.252  131.403  169.887  140.576 -128.2285  369.830   23.015   8.2848   22.829   10.768 0.1861343 13.58644 
1 1 1   20   34   -3 o   37.198   7.0434  538.213  118.324  545.416  124.491  470.863  380.676   41.956   5.1375   32.440   13.117 9.516766 14.08683 
1 1 1   20   35   -3 o   27.404   6.1069  323.259  129.379  407.549  137.278 -346.6641  387.010   34.519   7.1222   20.289   9.9222 14.22994 12.21375 
1 1 1   20    0   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   -4 o   74.156   7.2794  1609.42  311.768   0.0000   0.0000  1609.42  311.768  ?   ?    74.156   7.2794      ?      ? 
1 1 1   20    3   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   -4 o   17.704   8.6602 -553.7389  295.338   0.0000   0.0000 -553.7389  295.338  ?   ?    17.704   8.6602      ?      ? 
1 1 1   20    7   -4 o   77.904   6.6782  1774.07  300.473   0.0000   0.0000  1774.07  300.473  ?   ?    77.904   6.6782      ?      ? 
1 1 1   20    8   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12   -4 o   27.052   11.068   91.458  274.850   0.0000   0.0000   91.458  274.850  ?   ?    27.052   11.068      ?      ? 
1 1 1   20   13   -4 o   25.164   10.702   19.335  272.030   0.0000   0.0000   19.335  272.030  ?   ?    25.164   10.702      ?      ? 
1 1 1   20   14   -4 o   23.353   10.278 -56.0814  268.734   0.0000   0.0000 -56.0814  268.734  ?   ?    23.353   10.278      ?      ? 
1 1 1   20   15   -4 o   78.502   6.0254  1805.42  273.184   0.0000   0.0000  1805.42  273.184  ?   ?    78.502   6.0254      ?      ? 
1 1 1   20   16   -4 o   28.812   11.100  179.995  260.875   0.0000   0.0000  179.995  260.875  ?   ?    28.812   11.100      ?      ? 
1 1 1   20   17   -4 o   41.956   10.584  554.986  256.430   0.0000   0.0000  554.986  256.430  ?   ?    41.956   10.584      ?      ? 
1 1 1   20   18   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   19   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20   -4 o   20.598   9.3543 -117.4061  242.126   0.0000   0.0000 -117.4061  242.126  ?   ?    20.598   9.3543      ?      ? 
1 1 1   20   21   -4 o   36.943   10.541  437.847  235.954   0.0000   0.0000  437.847  235.954  ?   ?    36.943   10.541      ?      ? 
1 1 1   20   22   -4 o   41.800   9.7530  562.264  231.147   0.0000   0.0000  562.264  231.147  ?   ?    41.800   9.7530      ?      ? 
1 1 1   20   23   -4 o   63.282   6.2869  1198.35  229.773   0.0000   0.0000  1198.35  229.773  ?   ?    63.282   6.2869      ?      ? 
1 1 1   20   24   -4 o   22.955   9.7307   48.200  223.657   0.0000   0.0000   48.200  223.657  ?   ?    22.955   9.7307      ?      ? 
1 1 1   20   25   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   26   -4 o   21.792   6.9429 -296.1443  204.854 -694.3348  276.200  190.732  305.413   15.011   7.5165   28.573   11.676 -13.56165 13.88587 
1 1 1   20   27   -4 o   64.827   6.3663  1287.07  222.345  881.587  281.002  1966.02  363.615   50.954   9.9056   78.701   7.9998 -27.74685 12.73252 
1 1 1   20   28   -4 o   26.288   7.6349 -223.6647  217.697 -662.4125  272.613  548.574  361.672   14.925   7.4723   37.651   13.317 -22.72605 15.26981 
1 1 1   20   29   -4 o   21.434   6.6622   15.557  145.872   87.609  268.630 -14.5737  173.714   24.400   10.511   18.468   8.1888 5.932116 13.32431 
1 1 1   20   30   -4 o   25.561   7.7680  119.917  203.594   94.381  265.096  156.636  317.891   24.262   10.447   26.860   11.499 -2.598400 15.53603 
1 1 1   20   31   -4 o   22.510   7.3340 -122.5597  233.873   98.702  302.753 -449.9782  368.288   25.133   10.989   19.887   9.7157 5.246387 14.66792 
1 1 1   20   32   -4 f   23.561   7.6445 -128.3117  234.930 -363.9388  300.496  242.134  376.781   18.240   8.8814   28.881   12.445 -10.64136 15.28902 
1 1 1   20   33   -4 o   35.830   7.6562  508.175  237.848  920.611  300.221 -187.0354  389.782   49.060   10.881   22.600   10.774 26.46029 15.31238 
1 1 1   20   34   -4 o   31.599   7.6456   59.504  134.996 -73.6245  143.635  1067.30  395.196   15.059   6.9723   48.140   13.609 -33.08074 15.29111 
1 1 1   20   35   -4 o   21.505   6.9857   41.719  115.465   26.812  120.627  204.792  398.967   16.360   7.0455   26.650   12.065 -10.29023 13.97148 
1 1 1   20    0   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   -5 o   35.014   8.5814  325.891  217.546  194.103  310.913  452.299  304.500   31.136   12.083   38.892   12.188 -7.755964 17.16283 
1 1 1   20    3   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   -5 o   60.867   8.3550  1090.08  293.710  1090.08  293.710   0.0000   0.0000   60.867   8.3550  ?   ?       ?      ? 
1 1 1   20    6   -5 o   44.055   11.571  602.098  298.216   0.0000   0.0000  602.098  298.216  ?   ?    44.055   11.571      ?      ? 
1 1 1   20    7   -5 o  ?   ?  -1105.2440  292.437   0.0000   0.0000 -1105.2440  292.437  ?   ?   ?   ?       ?      ? 
1 1 1   20    8   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   13   -5 o  ?   ?  -1028.6680  271.417   0.0000   0.0000 -1028.6680  271.417  ?   ?   ?   ?       ?      ? 
1 1 1   20   14   -5 o  101.491   4.8734  3001.84  285.656   0.0000   0.0000  3001.84  285.656  ?   ?   101.491   4.8734      ?      ? 
1 1 1   20   15   -5 o   18.135   8.7071 -366.3554  264.550   0.0000   0.0000 -366.3554  264.550  ?   ?    18.135   8.7071      ?      ? 
1 1 1   20   16   -5 o   13.763   6.9403 -812.1464  257.665   0.0000   0.0000 -812.1464  257.665  ?   ?    13.763   6.9403      ?      ? 
1 1 1   20   17   -5 f   68.753   6.5560  1393.80  260.326   0.0000   0.0000  1393.80  260.326  ?   ?    68.753   6.5560      ?      ? 
1 1 1   20   18   -5 o   69.624   6.3590  1430.40  255.703   0.0000   0.0000  1430.40  255.703  ?   ?    69.624   6.3590      ?      ? 
1 1 1   20   19   -5 o  ?   ?  -895.6319  241.654   0.0000   0.0000 -895.6319  241.654  ?   ?   ?   ?       ?      ? 
1 1 1   20   20   -5 o   47.421   9.2136  705.926  243.249   0.0000   0.0000  705.926  243.249  ?   ?    47.421   9.2136      ?      ? 
1 1 1   20   21   -5 o   25.500   10.357  108.340  238.486   0.0000   0.0000  108.340  238.486  ?   ?    25.500   10.357      ?      ? 
1 1 1   20   22   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   23   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   24   -5 o   24.721   10.750   23.287  286.356   23.287  286.356   0.0000   0.0000   24.721   10.750  ?   ?       ?      ? 
1 1 1   20   25   -5 o   20.679   6.7626 -280.1671  209.037   41.863  279.106 -691.5676  315.467   24.624   10.660   16.733   8.3239 7.891300 13.52529 
1 1 1   20   26   -5 o   44.322   7.2504  626.825  210.401  196.318  279.869  1186.39  319.073   28.035   11.278   60.610   9.1151 -32.57452 14.50084 
1 1 1   20   27   -5 o   46.459   6.6896  697.186  170.367  917.521  276.976  563.089  216.077   52.186   9.5413   40.732   9.3790 11.45415 13.37913 
1 1 1   20   28   -5 o   42.272   8.2800  571.872  222.568  262.884  277.051  1134.17  373.740   29.162   11.382   55.382   12.029 -26.22097 16.56010 
1 1 1   20   29   -5 f   26.319   11.819   47.891  373.940   0.0000   0.0000   47.891  373.940  ?   ?    26.319   11.819      ?      ? 
1 1 1   20   30   -5 o   15.486   7.8737 -1045.6290  216.814 -960.0403  264.608 -1220.4890  378.218  ?   ?    15.486   7.8737      ?      ? 
1 1 1   20   31   -5 o   22.197   7.2369 -108.8476  208.947 -238.7512  265.292  103.403  339.107   18.416   8.8095   25.979   11.484 -7.562826 14.47384 
1 1 1   20   32   -5 o   40.766   7.6265  578.089  154.724  538.547  172.070  745.082  353.612   40.001   7.7280   41.531   13.150 -1.530357 15.25306 
1 1 1   20   33   -5 o   22.312   7.3875 -98.6087  241.076   29.204  300.676 -328.6664  403.395   23.157   10.480   21.466   10.415 1.690714 14.77496 
1 1 1   20   34   -5 o   38.247   7.9579  484.434  137.443  439.160  146.009  836.649  407.249   35.903   7.2904   40.590   14.148 -4.687706 15.91572 
1 1 1   20    0   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   -6 o   71.035   4.7937  1467.47  193.989  1160.01  264.126  1827.57  285.841   62.933   7.2668   79.137   6.2540 -16.20367 9.587471 
1 1 1   20    3   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   -6 o   79.344   6.5997  1840.63  302.430   0.0000   0.0000  1840.63  302.430  ?   ?    79.344   6.5997      ?      ? 
1 1 1   20    7   -6 o   35.233   12.030  349.590  293.875   0.0000   0.0000  349.590  293.875  ?   ?    35.233   12.030      ?      ? 
1 1 1   20    8   -6 o   21.204   9.8447 -238.5904  289.284   0.0000   0.0000 -238.5904  289.284  ?   ?    21.204   9.8447      ?      ? 
1 1 1   20    9   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   -6 o   16.529   8.1046 -509.8457  263.315 -509.8457  263.315   0.0000   0.0000   16.529   8.1046  ?   ?       ?      ? 
1 1 1   20   12   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   13   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   16   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   18   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   19   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   21   -6 o   37.384   11.541  452.981  274.195  452.981  274.195   0.0000   0.0000   37.384   11.541  ?   ?       ?      ? 
1 1 1   20   22   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   23   -6 o   17.480   8.6491 -658.8764  323.466   0.0000   0.0000 -658.8764  323.466  ?   ?    17.480   8.6491      ?      ? 
1 1 1   20   24   -6 o   15.863   7.4966 -180.2185  180.800   0.0000   0.0000 -180.2185  180.800  ?   ?    15.863   7.4966      ?      ? 
1 1 1   20   25   -6 o   12.794   6.3496 -400.6501  179.389   0.0000   0.0000 -400.6501  179.389  ?   ?    12.794   6.3496      ?      ? 
1 1 1   20   26   -6 o   20.039   9.6265 -348.2208  324.349   0.0000   0.0000 -348.2208  324.349  ?   ?    20.039   9.6265      ?      ? 
1 1 1   20   27   -6 o   23.629   7.4570 -142.5688  224.819 -476.3831  310.643  224.571  325.780   18.052   8.8411   29.207   12.011 -11.15533 14.91393 
1 1 1   20   28   -6 o   16.727   7.7184 -94.3043  173.832 -94.3043  173.832   0.0000   0.0000   16.727   7.7184  ?   ?       ?      ? 
1 1 1   20   29   -6 o   36.392   8.3416  447.894  171.574   0.0000   0.0000  447.894  171.574  ?   ?    36.392   8.3416      ?      ? 
1 1 1   20   30   -6 o   33.462   8.9513  336.042  242.549   98.260  303.109  759.365  404.431   25.230   11.014   41.693   14.114 -16.46335 17.90269 
1 1 1   20   31   -6 o   46.132   9.3076  905.610  262.100  964.042  340.118  820.175  411.266   49.636   11.997   42.629   14.233 7.006596 18.61523 
1 1 1   20   32   -6 o   28.292   8.2169  246.524  187.038  227.085  210.022  321.040  411.207   26.186   9.9908   30.397   13.048 -4.211496 16.43378 
1 1 1   20   33   -6 o   23.214   7.2105   92.336  182.621  180.211  203.497 -271.2389  413.927   24.274   9.6673   22.155   10.701 2.119074 14.42108 
1 1 1   20   34   -6 o   30.257   7.7720  329.506  146.057  303.060  159.668  465.077  361.513   28.681   8.7994   31.833   12.813 -3.152420 15.54392 
1 1 1   20    0   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   -7 o  ?   ?  -1491.8101  257.848   0.0000   0.0000 -1491.8101  257.848  ?   ?   ?   ?       ?      ? 
1 1 1   20    2   -7 o   52.665   6.2928  830.774  186.568  925.131  267.377  741.240  260.452   56.067   8.2572   49.264   9.4983 6.802544 12.58568 
1 1 1   20    3   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   -7 o   77.721   6.1489  1764.03  276.006  1764.03  276.006   0.0000   0.0000   77.721   6.1489  ?   ?       ?      ? 
1 1 1   20    7   -7 o   27.396   10.893  126.997  257.951   0.0000   0.0000  126.997  257.951  ?   ?    27.396   10.893      ?      ? 
1 1 1   20    8   -7 o   50.895   9.0860  788.806  257.277   0.0000   0.0000  788.806  257.277  ?   ?    50.895   9.0860      ?      ? 
1 1 1   20    9   -7 o   61.085   7.7739  1098.86  274.259  1098.86  274.259   0.0000   0.0000   61.085   7.7739  ?   ?       ?      ? 
1 1 1   20   10   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   13   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   16   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   18   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   19   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   21   -7 o   12.295   4.3862 -646.6586  145.625 -561.4949  206.598 -730.7529  205.297   12.940   6.4824   11.650   5.9105 1.290034 8.772431 
1 1 1   20   22   -7 o   28.780   9.1959  257.675  172.614   0.0000   0.0000  257.675  172.614  ?   ?    28.780   9.1959      ?      ? 
1 1 1   20   23   -7 o   39.622   7.9837  504.954  177.611  467.413  209.208  601.847  336.100   37.716   9.5844   41.527   12.771 -3.810818 15.96745 
1 1 1   20   24   -7 o   16.281   8.1676 -862.5585  333.412   0.0000   0.0000 -862.5585  333.412  ?   ?    16.281   8.1676      ?      ? 
1 1 1   20   25   -7 o   35.061   7.8564  301.076  179.124  112.193  211.870  774.430  335.402   23.878   9.7372   46.243   12.332 -22.36477 15.71282 
1 1 1   20   26   -7 o   19.961   9.7936 -584.4365  386.461   0.0000   0.0000 -584.4365  386.461  ?   ?    19.961   9.7936      ?      ? 
1 1 1   20   27   -7 o   23.153   7.1873   21.461  150.922  170.131  333.170 -16.9210  169.286   28.017   11.876   18.290   8.0982 9.726700 14.37467 
1 1 1   20   28   -7 f   15.792   5.6621 -1055.2629  253.563 -985.8939  326.427 -1160.8000  402.629   14.953   7.5718   16.632   8.4206 -1.679105 11.32430 
1 1 1   20   29   -7 o   59.090   5.3672  1066.78  183.165  1066.78  183.165   0.0000   0.0000   59.090   5.3672  ?   ?       ?      ? 
1 1 1   20   30   -7 o   16.707   5.9352 -359.8613  164.393 -306.6440  178.684 -653.1797  419.498   13.546   6.6490   19.867   9.8335 -6.320878 11.87044 
1 1 1   20   31   -7 f   26.608   7.4829  224.895  166.775  274.473  187.548   37.551  364.577   27.959   9.6091   25.257   11.473 2.702324 14.96575 
1 1 1   20   32   -7 o   28.034   7.5570  284.291  182.363  380.944  210.157 -10.3503  366.928   31.803   10.145   24.266   11.203 7.536791 15.11391 
1 1 1   20   33   -7 o   22.682   7.1558   83.442  167.199  130.219  182.096 -167.8528  422.065   22.162   9.0310   23.202   11.102 -1.040552 14.31158 
1 1 1   20   34   -7 o   17.599   6.3063 -345.1555  157.863 -382.5140  170.258 -116.2528  421.443   12.007   5.9954   23.192   11.097 -11.18526 12.61269 
1 1 1   20    0   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   -8 o  103.113   4.7433  3090.55  282.472   0.0000   0.0000  3090.55  282.472  ?   ?   103.113   4.7433      ?      ? 
1 1 1   20    2   -8 o  ?   ?  -1013.2670  258.377   0.0000   0.0000 -1013.2670  258.377  ?   ?   ?   ?       ?      ? 
1 1 1   20    3   -8 o   93.823   5.2815  2563.08  286.186  2563.08  286.186   0.0000   0.0000   93.823   5.2815  ?   ?       ?      ? 
1 1 1   20    4   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    7   -8 o   65.840   7.0535  1271.92  268.212   0.0000   0.0000  1271.92  268.212  ?   ?    65.840   7.0535      ?      ? 
1 1 1   20    8   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10   -8 o   43.847   10.219  597.816  253.994   0.0000   0.0000  597.816  253.994  ?   ?    43.847   10.219      ?      ? 
1 1 1   20   11   -8 o   72.757   6.0765  1550.04  255.336   0.0000   0.0000  1550.04  255.336  ?   ?    72.757   6.0765      ?      ? 
1 1 1   20   12   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   13   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14   -8 o   29.841   11.425  201.449  275.255  201.449  275.255   0.0000   0.0000   29.841   11.425  ?   ?       ?      ? 
1 1 1   20   15   -8 o   15.270   7.1698 -160.9874  160.678 -160.9874  160.678   0.0000   0.0000   15.270   7.1698  ?   ?       ?      ? 
1 1 1   20   16   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17   -8 o   26.684   7.0980  157.775  154.547  259.265  212.955   44.842  224.639   29.942   10.241   23.426   9.8312 6.516594 14.19607 
1 1 1   20   18   -8 o   20.257   9.0707 -74.8334  218.628   0.0000   0.0000 -74.8334  218.628  ?   ?    20.257   9.0707      ?      ? 
1 1 1   20   19   -8 o   74.719   3.6427  1643.13  157.176  1617.99  222.692  1668.07  221.870   74.136   5.2010   75.302   5.1016 -1.165771 7.285407 
1 1 1   20   20   -8 o   20.851   8.7909   32.054  180.959   0.0000   0.0000   32.054  180.959  ?   ?    20.851   8.7909      ?      ? 
1 1 1   20   21   -8 o   26.598   6.2845 -150.4065  160.962  543.235  258.833 -587.8203  205.541   40.542   10.843   12.653   6.3565 27.88873 12.56903 
1 1 1   20   22   -8 o   16.106   5.6052 -467.4047  179.358 -274.5898  209.810 -990.7949  345.676   16.110   7.7402   16.102   8.1093 0.8117676E-02 11.21034 
1 1 1   20   23   -8 f   38.649   7.4354  536.124  208.729  840.919  262.892   16.279  343.329   50.905   9.2841   26.394   11.617 24.51071 14.87088 
1 1 1   20   24   -8 o   23.776   7.3193   45.590  164.392   49.855  187.590   31.472  341.273   21.235   8.9516   26.318   11.583 -5.082666 14.63856 
1 1 1   20   25   -8 f   20.766   6.9407 -113.1190  154.904 -119.4075  395.833 -111.9818  168.329   25.289   11.661   16.243   7.5301 9.045881 13.88137 
1 1 1   20   26   -8 o   26.125   6.8059  202.306  136.350  154.931  189.909  252.709  195.884   24.281   9.4380   27.969   9.8084 -3.687778 13.61182 
1 1 1   20   27   -8 o   42.439   7.2285  740.698  169.362  841.998  191.001  368.073  366.324   52.143   6.3424   32.735   12.991 19.40808 14.45700 
1 1 1   20   28   -8 o   38.685   8.5982  503.711  267.342  1068.96  383.825 -28.9085  372.583   52.289   12.811   25.080   11.472 27.20939 17.19647 
1 1 1   20   29   -8 o   28.592   7.5246  274.337  188.126  412.752  217.855 -131.5354  373.053   33.676   10.269   23.507   11.002 10.16901 15.04924 
1 1 1   20   30   -8 o   41.479   7.3765  709.926  169.526  778.868  190.057  441.539  374.993   49.585   6.6366   33.373   13.176 16.21280 14.75298 
1 1 1   20   31   -8 o   30.439   8.9293  191.548  279.764 -184.4984  368.694  701.930  429.529   22.300   10.588   38.578   14.382 -16.27736 17.85855 
1 1 1   20   32   -8 o   19.497   6.8184 -541.3859  277.502 -550.4106  364.598 -528.9587  427.840   18.528   9.1700   20.467   10.093 -1.939802 13.63685 
1 1 1   20   33   -8 o   36.469   9.2938  649.753  278.521  877.971  364.598  329.951  431.599   43.469   13.290   29.469   12.995 14.00024 18.58760 
1 1 1   20    0   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   -9 o   22.268   9.9748 -105.2510  264.637   0.0000   0.0000 -105.2510  264.637  ?   ?    22.268   9.9748      ?      ? 
1 1 1   20    2   -9 o   25.539   10.677   48.333  263.371   0.0000   0.0000   48.333  263.371  ?   ?    25.539   10.677      ?      ? 
1 1 1   20    3   -9 o   78.576   6.2915  1805.19  285.515  1805.19  285.515   0.0000   0.0000   78.576   6.2915  ?   ?       ?      ? 
1 1 1   20    4   -9 o   26.977   11.129   78.468  280.820   78.468  280.820   0.0000   0.0000   26.977   11.129  ?   ?       ?      ? 
1 1 1   20    5   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   -9 o   23.739   10.502 -74.6866  284.122 -74.6866  284.122   0.0000   0.0000   23.739   10.502  ?   ?       ?      ? 
1 1 1   20    7   -9 o   80.947   4.4179  1908.74  203.281  2407.85  299.444  1482.11  276.849   90.807   5.7097   71.088   6.7431 19.71873 8.835758 
1 1 1   20    8   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9   -9 o   23.624   10.416 -61.8740  277.122 -61.8740  277.122   0.0000   0.0000   23.624   10.416  ?   ?       ?      ? 
1 1 1   20   10   -9 o   25.327   10.477 -512.8770  185.449 -1223.7930  276.737   66.594  249.847  ?   ?    25.327   10.477      ?      ? 
1 1 1   20   11   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12   -9 o   60.651   6.2968  1280.12  186.207  505.039  276.169  1926.19  252.141   40.133   11.387   81.168   5.3787 -41.03469 12.59364 
1 1 1   20   13   -9 o   54.808   6.2650  950.751  184.328  1844.90  277.343  243.287  246.697   79.265   6.0583   30.351   10.968 48.91415 12.53008 
1 1 1   20   14   -9 o   16.410   5.5416 -274.3631  146.050 -199.0560  217.493 -336.2108  197.101   17.987   8.4125   14.833   7.2157 3.154918 11.08313 
1 1 1   20   15   -9 o   87.799   3.6593  2252.15  184.022  2302.06  280.032  2214.21  244.139   88.579   5.4738   87.018   4.8578 1.560982 7.318540 
1 1 1   20   16   -9 o   21.597   7.1710 -191.9727  190.357 -158.0114  216.118 -309.4992  402.037   18.560   8.5790   24.634   11.493 -6.073675 14.34204 
1 1 1   20   17   -9 o   29.514   7.2899  151.652  172.489  473.060  267.513 -77.0604  225.664   38.453   11.299   20.576   9.2144 17.87713 14.57971 
1 1 1   20   18   -9 o   52.290   5.6057  851.423  158.525  583.874  222.492  1127.29  225.923   42.967   9.2404   61.613   6.3490 -18.64625 11.21134 
1 1 1   20   19   -9 o   31.409   10.257 -435.5571  152.730  304.083  214.011 -1203.2460  218.031   31.409   10.257  ?   ?       ?      ? 
1 1 1   20   20   -9 o   38.591   5.8679  406.196  212.146  1070.42  264.003 -804.4871  356.424   59.372   7.6991   17.809   8.8574 41.56328 11.73578 
1 1 1   20   21   -9 o   27.419   8.2176 -80.9775  254.079  346.493  365.004 -482.8304  353.898   34.529   13.172   20.308   9.8298 14.22087 16.43528 
1 1 1   20   22   -9 o   21.642   7.3663 -439.4905  268.237 -447.7003  355.965 -428.7035  408.032   20.600   9.9436   22.684   10.871 -2.084373 14.73256 
1 1 1   20   23   -9 o   27.792   6.7093  237.335  130.786  184.217  184.430  291.067  185.494   25.615   9.4485   29.968   9.5282 -4.353718 13.41869 
1 1 1   20   24   -9 o   23.714   7.4519   13.982  192.098  101.559  216.899 -304.6187  413.700   23.723   9.7831   23.706   11.243 0.1626587E-01 14.90389 
1 1 1   20   25   -9 o   23.905   7.7748 -208.7203  267.460  112.728  347.325 -677.0480  419.233   27.503   11.900   20.307   10.010 7.196531 15.54969 
1 1 1   20   26   -9 o   51.643   9.0697  1042.38  268.958  1129.33  345.266  908.200  428.932   56.411   10.993   46.876   14.429 9.534851 18.13947 
1 1 1   20   27   -9 o   23.647   7.3188   36.066  160.510  193.132  338.514  -9.4887  182.306   28.294   11.981   19.000   8.4087 9.293638 14.63763 
1 1 1   20   28   -9 o   33.471   6.9974  397.894  143.130  416.385  224.153  385.165  185.982   33.825   10.434   33.117   9.3267 0.7080040 13.99487 
1 1 1   20   29   -9 o   28.936   8.1025  264.813  169.909  272.167  184.471  223.673  436.315   28.075   9.5318   29.796   13.105 -1.720606 16.20505 
1 1 1   20   30   -9 o   32.122   8.0110  393.936  169.831  417.773  184.271  259.472  437.658   34.263   9.1424   29.981   13.157 4.282299 16.02192 
1 1 1   20   31   -9 o   39.317   8.7470  707.724  262.397  956.387  326.351  253.010  441.315   49.232   11.658   29.401   13.044 19.83141 17.49398 
1 1 1   20   32   -9 o   23.854   7.9008 -38.8441  260.352 -68.3375  322.658   16.191  440.758   22.070   10.297   25.639   11.986 -3.568298 15.80158 
1 1 1   20   33   -9 o   20.683   6.9898 -294.9972  237.469 -636.3618  319.262  127.742  355.283   16.162   8.0911   25.204   11.400 -9.041714 13.97960 
1 1 1   20    0  -10 o   13.487   9.4443 -277.3203  275.658   0.0000   0.0000 -277.3203  275.658   13.487   9.4443   13.487   9.4443 -0.000000 0.000000 
1 1 1   20    1  -10 o   92.058   5.3735  2470.72  285.697   0.0000   0.0000  2470.72  285.697  ?   ?    92.058   5.3735      ?      ? 
1 1 1   20    2  -10 o   40.012   6.6442  443.811  192.723 -61.1932  273.239  943.770  271.870   23.506   10.354   56.517   8.3291 -33.01021 13.28833 
1 1 1   20    3  -10 o   72.672   4.8162  1567.30  199.019  1270.36  283.911  1854.18  279.063   65.708   7.4814   79.637   6.0674 -13.92888 9.632467 
1 1 1   20    4  -10 o   91.674   5.5427  2452.48  293.464  2452.48  293.464   0.0000   0.0000   91.674   5.5427  ?   ?       ?      ? 
1 1 1   20    5  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6  -10 o   51.196   11.833  823.930  342.867  823.930  342.867   0.0000   0.0000   51.196   11.833  ?   ?       ?      ? 
1 1 1   20    7  -10 o   53.311   8.8697  844.583  273.093  844.583  273.093   0.0000   0.0000   53.311   8.8697  ?   ?       ?      ? 
1 1 1   20    8  -10 o   20.201   9.4193 -235.4119  269.361 -235.4119  269.361   0.0000   0.0000   20.201   9.4193  ?   ?       ?      ? 
1 1 1   20    9  -10 o   29.125   7.8777   7.2739  207.436  451.649  334.493 -270.4275  264.424   38.829   12.831   19.421   9.1439 19.40725 15.75542 
1 1 1   20   10  -10 o   29.034   6.9290   30.227  205.083 -792.9031  336.129  518.362  258.846   17.406   8.6475   40.661   10.829 -23.25585 13.85802 
1 1 1   20   11  -10 o   21.666   7.2438 -337.7693  221.095 -394.7466  271.180 -224.8030  381.839   18.104   8.7236   25.228   11.567 -7.123854 14.48764 
1 1 1   20   12  -10 o   32.717   7.2594  323.901  152.567  320.338  223.126  327.031  209.083   32.667   10.457   32.767   10.072 -0.9993362E-01 14.51876 
1 1 1   20   13  -10 o   29.783   7.9301  214.205  185.031  223.015  274.348  206.854  250.608   30.365   11.459   29.201   10.966 1.163097 15.86015 
1 1 1   20   14  -10 o   82.179   3.6687  1996.96  172.253  2150.89  233.409  1812.86  255.259   85.792   4.7107   78.565   5.6255 7.227112 7.337375 
1 1 1   20   15  -10 o   21.460   9.1087   20.233  196.371   0.0000   0.0000   20.233  196.371  ?   ?    21.460   9.1087      ?      ? 
1 1 1   20   16  -10 o   53.680   6.8440  759.031  191.285  576.180  222.208  1282.29  375.898   42.776   9.2627   64.583   10.078 -21.80676 13.68794 
1 1 1   20   17  -10 o   25.531   7.0611  102.561  158.450 -29.2613  217.132  252.723  231.745   21.141   9.2730   29.922   10.651 -8.781069 14.12229 
1 1 1   20   18  -10 o   39.335   9.8322  497.423  222.753  497.423  222.753   0.0000   0.0000   39.335   9.8322  ?   ?       ?      ? 
1 1 1   20   19  -10 o   15.311   7.3436 -247.0809  187.109 -247.0809  187.109   0.0000   0.0000   15.311   7.3436  ?   ?       ?      ? 
1 1 1   20   20  -10 o   25.953   7.2047  143.572  167.373  262.287  188.334 -302.4769  365.063   29.156   9.6272   22.751   10.721 6.404549 14.40942 
1 1 1   20   21  -10 f   39.190   6.9136  507.303  156.516  560.339  219.570  452.514  223.170   41.434   9.3923   36.946   10.148 4.487968 13.82726 
1 1 1   20   22  -10 o   14.217   6.9375 -312.6346  186.177 -312.6346  186.177   0.0000   0.0000   14.217   6.9375  ?   ?       ?      ? 
1 1 1   20   23  -10 o   30.725   8.0570  276.106  166.398  319.206  361.891  264.552  187.380   32.729   12.937   28.721   9.6074 4.007414 16.11402 
1 1 1   20   24  -10 o   31.529   7.9735  329.130  167.760  351.034  186.866  238.150  380.837   32.243   9.4346   30.816   12.857 1.427307 15.94706 
1 1 1   20   25  -10 o   24.547   9.8322  145.785  211.724  145.785  211.724   0.0000   0.0000   24.547   9.8322  ?   ?       ?      ? 
1 1 1   20   26  -10 o   23.412   6.6136  129.333  137.636  185.781  185.307   59.871  205.558   25.065   9.4260   21.759   9.2795 3.305542 13.22723 
1 1 1   20   27  -10 o   24.377   7.6249   35.086  166.923 -10.5295  185.108  233.628  386.187   19.048   8.4492   29.706   12.695 -10.65852 15.24981 
1 1 1   20   28  -10 o   36.122   7.1343 -46.8170  255.481 -1054.3890  340.578  1249.74  386.344   15.007   7.6138   57.236   12.067 -42.22937 14.26863 
1 1 1   20   29  -10 o   16.073   8.0835 -461.1934  106.005 -822.7149  337.120 -421.5259  111.670   16.073   8.0835  ?   ?       ?      ? 
1 1 1   20   30  -10 o   32.649   9.0785  398.052  253.933  226.497  335.039  629.627  389.260   27.912   11.874   37.387   13.737 -9.474792 18.15709 
1 1 1   20   31  -10 o   12.174   5.7341 -92.4727  104.196   0.0000   0.0000 -92.4727  104.196  ?   ?    12.174   5.7341      ?      ? 
1 1 1   20   32  -10 o   24.039   7.7097 -55.9789  243.773 -383.1420  328.424  345.402  363.773   18.554   9.0879   29.524   12.457 -10.96976 15.41947 
1 1 1   20    0  -11 o   16.678   10.923 -29.6043  261.550   0.0000   0.0000 -29.6043  261.550   16.678   10.923   16.678   10.923 -0.000000 0.000000 
1 1 1   20    1  -11 o   71.442   4.6895  1509.43  191.562  1286.84  273.824  1722.80  268.086   66.147   7.1676   76.737   6.0490 -10.58926 9.378999 
1 1 1   20    2  -11 o   24.606   7.4581 -46.4049  203.657 -358.4716  331.217  143.302  258.244   21.434   10.135   27.778   10.945 -6.343897 14.91627 
1 1 1   20    3  -11 o   39.037   7.8835  371.267  234.191  889.751  335.005 -124.2936  327.516   53.384   11.222   24.690   11.076 28.69413 15.76708 
1 1 1   20    4  -11 f   32.767   8.4731  254.846  209.130  161.232  273.520  386.587  324.473   28.793   11.289   36.740   12.638 -7.947233 16.94629 
1 1 1   20    5  -11 o   51.925   7.0560  794.127  210.460  304.512  275.848  1476.12  325.562   33.204   11.640   70.647   7.9791 -37.44304 14.11207 
1 1 1   20    6  -11 o   66.789   7.3613  1389.27  259.998  340.474  342.146  2822.56  399.975   35.662   12.912   97.915   7.0729 -62.25370 14.72255 
1 1 1   20    7  -11 o   27.628   7.6974 -120.8606  231.631 -707.3936  336.912  404.878  318.974   18.116   8.9382   37.141   12.534 -19.02443 15.39482 
1 1 1   20    8  -11 o   24.203   7.7363 -296.9964  223.338 -497.8663  272.651  112.648  389.362   17.063   8.3411   31.343   13.032 -14.27967 15.47258 
1 1 1   20    9  -11 f   39.606   9.5886  488.985  216.983   0.0000   0.0000  488.985  216.983  ?   ?    39.606   9.5886      ?      ? 
1 1 1   20   10  -11 o   25.707   7.7373   14.614  206.294 -193.5035  340.337  135.490  259.374   23.974   10.966   27.441   10.919 -3.466484 15.47456 
1 1 1   20   11  -11 o   36.838   9.7302  424.386  210.098   0.0000   0.0000  424.386  210.098  ?   ?    36.838   9.7302      ?      ? 
1 1 1   20   12  -11 o   46.034   6.5319  665.995  168.195  759.687  224.632  546.440  253.750   50.524   7.6982   41.544   10.555 8.980225 13.06382 
1 1 1   20   13  -11 o   56.482   6.2557  941.155  204.067   0.0000   0.0000  941.155  204.067  ?   ?    56.482   6.2557      ?      ? 
1 1 1   20   14  -11 o   25.950   7.4576   96.834  172.808  158.400  270.805   54.543  224.447   28.231   11.181   23.668   9.8720 4.563341 14.91527 
1 1 1   20   15  -11 o   43.164   9.2248  586.507  222.994   0.0000   0.0000  586.507  222.994  ?   ?    43.164   9.2248      ?      ? 
1 1 1   20   16  -11 o   20.190   6.5612 -145.4606  173.249 -70.1000  216.980 -278.0124  287.766   20.227   9.0483   20.154   9.5041 0.7251549E-01 13.12246 
1 1 1   20   17  -11 o   35.582   8.8477  362.342  247.466  588.602  326.996   59.063  378.582   42.092   12.524   29.073   12.501 13.01905 17.69531 
1 1 1   20   18  -11 o   32.112   9.6208  327.563  192.469  327.563  192.469   0.0000   0.0000   32.112   9.6208  ?   ?       ?      ? 
1 1 1   20   19  -11 o   61.750   4.4895  1147.63  159.334  1248.69  222.616  1041.48  228.151   64.684   5.9590   58.816   6.7164 5.867413 8.978904 
1 1 1   20   20  -11 o   24.288   7.5343 -84.6423  166.954  254.425  368.698 -172.0990  187.251   32.155   12.941   16.420   7.7196 15.73449 15.06865 
1 1 1   20   21  -11 o   20.374   8.7479   19.282  184.919   19.282  184.919   0.0000   0.0000   20.374   8.7479  ?   ?       ?      ? 
1 1 1   20   22  -11 o   14.861   5.0519 -287.8447  130.301 -466.7227  183.889 -107.4596  184.662   12.402   6.1983   17.321   7.9793 -4.919449 10.10384 
1 1 1   20   23  -11 o   26.236   8.1203   55.308  170.932   21.012  185.137  253.411  444.956   20.198   8.7134   32.273   13.705 -12.07523 16.24068 
1 1 1   20   24  -11 o   18.597   6.4142 -327.8604  166.022 -104.2461  351.757 -391.9507  188.317   23.911   11.014   13.283   6.5771 10.62775 12.82841 
1 1 1   20   25  -11 o   16.024   5.7185 -573.9918  177.735 -410.0607  345.784 -632.8547  207.202   19.884   9.6464   12.163   6.1444 7.721026 11.43705 
1 1 1   20   26  -11 o   45.011   8.8207  796.923  277.374  294.253  393.560  1293.04  390.986   31.083   13.027   58.939   11.896 -27.85654 17.64145 
1 1 1   20   27  -11 o   50.890   7.1502  775.246  167.968  1192.76  390.640  680.546  186.045   55.461   12.495   46.319   6.9547 9.142765 14.30035 
1 1 1   20   28  -11 o   31.350   7.5966  284.312  111.135  475.239  387.083  267.160  116.020   34.301   13.435   28.399   7.0943 5.902245 15.19317 
1 1 1   20   29  -11 o   39.764   7.7745  441.672  135.892  925.812  383.029  371.959  145.347   46.397   13.488   33.132   7.7362 13.26485 15.54892 
1 1 1   20   30  -11 o   13.280   5.8997 -17.1256   90.585   0.0000   0.0000 -17.1256   90.585  ?   ?    13.280   5.8997      ?      ? 
1 1 1   20   31  -11 o   42.336   7.6526  782.101  196.049  509.368  375.792  884.086  229.799   33.413   13.191   51.258   7.7625 -17.84425 15.30525 
1 1 1   20   32  -11 o   26.913   7.0140  250.889  112.776  215.627  372.257  254.453  118.337   26.807   11.932   27.019   7.3765 -0.2112293 14.02797 
1 1 1   20    0  -12 o   26.028   9.6586  223.940  207.161  494.977  326.848   41.949  267.828   33.697   15.412   18.358   11.646 -0.000000 0.000000 
1 1 1   20    1  -12 o   46.939   8.4524  592.533  224.534  376.266  270.057  1076.80  404.111   35.516   11.518   58.361   12.373 -22.84528 16.90477 
1 1 1   20    2  -12 o   23.577   6.9209 -19.9388  161.221 -164.1217  209.212  190.866  252.971   18.200   8.4224   28.954   10.985 -10.75431 13.84183 
1 1 1   20    3  -12 o   31.390   8.6235  167.890  233.957  365.216  337.784 -14.0567  324.354   36.255   12.864   26.526   11.488 9.729288 17.24709 
1 1 1   20    4  -12 o   22.900   7.2582 -270.2773  199.692  121.985  335.238 -486.0075  248.611   29.812   12.213   15.988   7.8466 13.82379 14.51636 
1 1 1   20    5  -12 o   44.035   7.4725  515.846  212.724  154.773  273.949  1064.21  337.602   28.549   11.265   59.520   9.8210 -30.97065 14.94492 
1 1 1   20    6  -12 o   58.442   6.3438  998.688  211.709  874.387  275.544  1177.81  330.769   54.131   8.8137   62.752   9.1266 -8.620682 12.68766 
1 1 1   20    7  -12 o   53.840   8.3272  934.722  256.259  1127.63  343.134  691.439  385.337   61.223   9.7043   46.457   13.535 14.76664 16.65444 
1 1 1   20    8  -12 o   44.328   8.8697  631.247  250.364  858.481  340.806  364.847  369.010   52.004   11.638   36.652   13.388 15.35202 17.73932 
1 1 1   20    9  -12 o   36.603   7.4398  425.668  171.188  534.708  226.207  279.520  261.884   41.334   9.6509   31.872   11.325 9.462404 14.87954 
1 1 1   20   10  -12 o   38.222   8.7212  454.456  188.269  454.456  188.269   0.0000   0.0000   38.222   8.7212  ?   ?       ?      ? 
1 1 1   20   11  -12 o   28.080   7.0190  215.730  138.652  226.283  172.259  196.315  233.655   27.853   9.2077   28.308   10.596 -0.4551964 14.03806 
1 1 1   20   12  -12 o   25.134   6.8451  131.108  144.905  209.071  185.449   8.8898  232.193   27.390   9.5471   22.877   9.8121 4.512621 13.69028 
1 1 1   20   13  -12 o   11.970   4.3191 -405.1653  104.602 -378.1067  117.555 -508.0479  229.223   9.2662   4.6744   14.674   7.2642 -5.407978 8.638252 
1 1 1   20   14  -12 o   37.679   7.7600  467.626  180.320  536.808  224.474  341.769  302.768   41.115   9.6235   34.243   12.176 6.871441 15.52006 
1 1 1   20   15  -12 f   50.313   7.8164  763.088  227.130   0.0000   0.0000  763.088  227.130  ?   ?    50.313   7.8164      ?      ? 
1 1 1   20   16  -12 o   15.399   7.5322 -399.7636  223.302   0.0000   0.0000 -399.7636  223.302  ?   ?    15.399   7.5322      ?      ? 
1 1 1   20   17  -12 o   42.400   7.4669  671.306  171.329  759.973  191.490  315.490  383.600   50.372   6.5823   34.428   13.405 15.94331 14.93382 
1 1 1   20   18  -12 o   57.731   5.7251  992.381  190.889  992.381  190.889   0.0000   0.0000   57.731   5.7251  ?   ?       ?      ? 
1 1 1   20   19  -12 o   21.180   6.4956   5.0896  144.863  -4.3240  188.594   18.637  226.243   20.035   8.7184   22.324   9.6314 -2.289064 12.99128 
1 1 1   20   20  -12 o   19.552   6.6778 -390.4372  189.615 -102.4727  359.030 -501.8254  223.296   24.906   11.342   14.198   7.0529 10.70761 13.35569 
1 1 1   20   21  -12 o   28.731   8.6328   56.390  260.733 -188.4259  348.927  365.921  392.343   23.115   10.759   34.347   13.504 -11.23244 17.26563 
1 1 1   20   22  -12 o   32.800   8.0101  349.302  167.398  381.612  343.730  339.257  191.662   33.826   12.811   31.774   9.6189 2.051695 16.02027 
1 1 1   20   23  -12 o   29.586   9.6708  292.552  190.222   0.0000   0.0000  292.552  190.222  ?   ?    29.586   9.6708      ?      ? 
1 1 1   20   24  -12 o   28.962   6.7492  302.416  126.008   24.351  336.957  347.625  135.866   25.301   11.300   32.623   7.3833 -7.321644 13.49837 
1 1 1   20   25  -12 o   34.352   9.2639  445.276  255.231  473.633  333.461  405.164  396.594   35.172   12.745   33.531   13.447 1.641788 18.52788 
1 1 1   20   26  -12 o   33.439   7.6207  366.983  140.859  489.606  331.712  340.007  155.583   35.306   12.725   31.572   8.3895 3.733793 15.24131 
1 1 1   20   27  -12 o   24.349   7.1162  -4.3432  113.367  477.699  331.359 -68.2466  120.647   34.674   12.684   14.024   6.4563 20.65070 14.23245 
1 1 1   20   28  -12 o   11.179   5.4646 -198.2351  116.974   0.0000   0.0000 -198.2351  116.974  ?   ?    11.179   5.4646      ?      ? 
1 1 1   20   29  -12 o   30.192   6.9837  293.947  104.775  369.017  326.268  285.316  110.635   30.986   12.272   29.398   6.6692 1.587740 13.96732 
1 1 1   20   30  -12 o   21.384   6.7987   21.261  132.917  157.852  324.623  -6.2507  145.690   25.895   11.349   16.872   7.4895 9.022852 13.59736 
1 1 1   20   31  -12 o   31.341   7.1978  313.423  111.403  519.869  322.248  285.402  118.723   33.842   12.488   28.840   7.1607 5.002270 14.39552 
1 1 1   20    0  -13 o   49.524   9.3642  768.168  224.527  1268.87  405.336  546.526  269.681   61.852   12.867   37.197   13.608 -0.000000 0.000000 
1 1 1   20    1  -13 o   17.527   5.8944 -281.6194  163.762 -472.4516  268.275 -168.2784  206.751   17.098   8.3398   17.957   8.3320 -0.8588943 11.78881 
1 1 1   20    2  -13 o   39.105   9.3659  458.923  258.165  281.928  410.095  575.112  332.266   35.539   13.854   42.671   12.608 -7.132271 18.73181 
1 1 1   20    3  -13 o   46.983   6.8112  724.267  177.847  460.833  276.653  909.811  232.179   38.483   11.536   55.484   7.2456 -17.00072 13.62234 
1 1 1   20    4  -13 o   45.911   7.9740  663.038  204.659  678.789  337.561  653.882  257.353   46.085   12.407   45.737   10.020 0.3480148 15.94790 
1 1 1   20    5  -13 o   15.733   5.5055 -554.6707  174.965 -400.3917  272.815 -662.4611  228.037   18.099   8.7285   13.367   6.7123 4.732058 11.01095 
1 1 1   20    6  -13 o   16.057   6.0701   55.272   77.077   55.272   77.077   0.0000   0.0000   16.057   6.0701  ?   ?       ?      ? 
1 1 1   20    7  -13 o   82.017   5.0534  2041.61  228.042  2181.23  288.532  1809.25  372.222   86.195   5.7960   77.840   8.2797 8.354797 10.10679 
1 1 1   20    8  -13 o   62.077   4.8976  1128.70  171.035  1192.31  278.098  1090.00  216.909   63.315   7.6052   60.840   6.1731 2.474571 9.795189 
1 1 1   20    9  -13 o   17.704   5.8364 -119.3718   75.718 -137.8150   79.097   82.792  261.874   9.4129   4.5773   25.996   10.738 -16.58313 11.67282 
1 1 1   20   10  -13 o   26.954   7.6251  103.414  175.955   26.642  220.595  237.686  291.735   22.791   9.6628   31.116   11.798 -8.325079 15.25015 
1 1 1   20   11  -13 o   14.379   6.1567  -1.4963   91.141   0.0000   0.0000  -1.4963   91.141  ?   ?    14.379   6.1567      ?      ? 
1 1 1   20   12  -13 o   30.341   7.4296  114.465   91.594   81.858   94.736  581.763  358.640   18.418   6.7752   42.264   13.225 -23.84581 14.85911 
1 1 1   20   13  -13 o   43.775   3.6727  558.521   92.852  558.521   92.852   0.0000   0.0000   43.775   3.6727  ?   ?       ?      ? 
1 1 1   20   14  -13 o   21.637   6.1744   77.040  117.753   27.112  194.459  105.948  147.965   21.410   9.0745   21.864   8.3753 -0.4535561 12.34877 
1 1 1   20   15  -13 o   22.009   5.9539  101.679   76.155  123.607  222.350   98.765   81.058   25.276   10.093   18.741   6.3186 6.535784 11.90775 
1 1 1   20   16  -13 o   26.990   5.9508  224.888   90.264   0.0000   0.0000  224.888   90.264  ?   ?    26.990   5.9508      ?      ? 
1 1 1   20   17  -13 o   19.342   6.6340 -158.3457   87.282   97.115  367.579 -173.6099   89.852   29.019   12.393   9.6650   4.7381 19.35402 13.26798 
1 1 1   20   18  -13 o   29.919   5.9672  316.315   80.067   66.080  298.152  335.764   83.121   26.066   11.148   33.772   4.2616 -7.705759 11.93435 
1 1 1   20   19  -13 o   12.614   4.2144 -106.5137   77.136 -180.4116  137.115 -72.2980   93.300   13.111   6.2878   12.117   5.6133 0.9938946 8.428897 
1 1 1   20   20  -13 o   22.650   6.4086  121.973   78.957 -107.4016  355.192  133.897   80.983   24.468   11.195   20.832   6.2404 3.635254 12.81711 
1 1 1   20   21  -13 o   20.316   5.6992   82.005   73.315  109.652  204.575   77.930   78.531   23.485   9.5714   17.148   6.1896 6.336706 11.39835 
1 1 1   20   22  -13 o   27.766   7.3406  109.117   92.287  534.405  345.254   76.392   95.772   37.728   13.033   17.803   6.7576 19.92501 14.68117 
1 1 1   20   23  -13 o   18.184   6.2598 -161.7143  108.120   3.2677  338.685 -180.4357  114.090   25.013   11.239   11.356   5.5162 13.65728 12.51954 
1 1 1   20   24  -13 o   20.892   6.7554 -54.0567  112.038  189.167  336.934 -84.2934  118.798   28.200   11.948   13.584   6.3076 14.61528 13.51082 
1 1 1   20   25  -13 o   15.618   5.4146 -124.0078  104.018 -521.6822  334.377 -81.4014  109.449   18.276   8.9952   12.959   6.0297 5.316518 10.82920 
1 1 1   20   26  -13 o   26.652   6.6362  209.072  119.106  336.327  217.392  154.488  142.377   30.624   10.348   22.681   8.3115 7.943228 13.27236 
1 1 1   20   27  -13 o   29.112   9.2328  298.281  174.253   0.0000   0.0000  298.281  174.253  ?   ?    29.112   9.2328      ?      ? 
1 1 1   20   28  -13 o   21.358   6.1425   79.363   91.301  214.917  228.347   53.569   99.610   26.096   10.288   16.621   6.7134 9.474155 12.28509 
1 1 1   20   29  -13 o   20.955   6.9803 -123.2128  149.544  211.742  376.203 -186.0732  162.974   27.744   12.187   14.166   6.8102 13.57791 13.96051 
1 1 1   20   30  -13 o   21.964   6.9704   65.594  132.062   93.126  374.798   61.691  141.112   25.334   11.557   18.593   7.7969 6.741535 13.94084 
1 1 1   20   31  -13 o   31.768   6.1417  365.557  112.230  343.703  139.146  406.241  189.851   31.130   7.7652   32.406   9.5175 -1.275343 12.28332 
1 1 1   20    0  -14 o   27.001   7.3895  254.656   99.630   0.0000   0.0000  254.656   99.630   27.001   7.3895   27.001   7.3895 -0.000000 0.000000 
1 1 1   20    1  -14 o   8.3310   2.9848 -363.0323   72.323 -355.3024  100.337 -371.3913  104.341   8.2591   4.1840   8.4030   4.2579 -0.1438475 5.969547 
1 1 1   20    2  -14 o   20.004   6.4749 -56.7182  134.077 -346.3814  344.082  -4.8624  145.584   21.979   10.373   18.029   7.7521 3.949688 12.94980 
1 1 1   20    3  -14 o   19.730   6.7134 -120.5781   98.252 -125.7900  101.710 -47.7975  380.076   11.664   5.5445   27.797   12.229 -16.13283 13.42687 
1 1 1   20    4  -14 o   18.484   5.7268 -191.2458   92.308 -262.7216  100.820  179.232  229.535   9.3073   4.6421   27.660   10.471 -18.35287 11.45351 
1 1 1   20    5  -14 o   43.578   9.2946  608.081  253.471  559.256  349.715  662.117  367.901   41.933   13.049   45.222   13.240 -3.289185 18.58923 
1 1 1   20    6  -14 o   17.459   8.7255 -435.2506   87.335 -404.5587   89.958 -938.5029  364.269  ?   ?    17.459   8.7255      ?      ? 
1 1 1   20    7  -14 o   44.920   6.2080  623.146  157.299  534.658  225.611  706.849  219.427   41.193   9.6519   48.647   7.8100 -7.453457 12.41591 
1 1 1   20    8  -14 f   13.387   4.5715 -181.7387   92.575 -177.9217  109.356 -191.3926  173.915   11.251   5.4504   15.523   7.3409 -4.271249 9.143056 
1 1 1   20    9  -14 o   31.022   5.7922  249.406   93.171  198.225  106.033  422.816  195.174   25.417   7.0004   36.626   9.2301 -11.20896 11.58448 
1 1 1   20   10  -14 o   17.780   5.3827 -74.2037   75.630 -115.5758   82.224  153.135  192.744   10.162   4.8725   25.399   9.5996 -15.23667 10.76537 
1 1 1   20   11  -14 o   22.220   7.0062 -116.5100   91.053 -144.1664   94.104  289.319  360.481   10.610   5.1192   33.830   13.044 -23.21957 14.01243 
1 1 1   20   12  -14 o   16.595   4.7635   22.502   77.835   92.735   92.405 -149.0406  144.414   18.865   6.7247   14.326   6.7486 4.539489 9.527094 
1 1 1   20   13  -14 o   21.067   4.5273  135.797   60.627   98.612   97.346  159.360   77.491   19.373   6.9026   22.761   5.8599 -3.388426 9.054508 
1 1 1   20   14  -14 o   34.381   3.2175  351.122   63.021  409.168   88.122  290.354   90.164   37.379   4.0820   31.382   4.9747 5.997124 6.435054 
1 1 1   20   15  -14 o   14.577   4.9170 -86.0403   84.454 -356.4373  235.614 -46.1785   90.465   16.463   7.9812   12.691   5.7454 3.772022 9.834096 
1 1 1   20   16  -14 o   30.097   7.3566  257.713  135.250  307.474  295.032  244.473  152.183   32.279   11.942   27.916   8.5950 4.363461 14.71318 
1 1 1   20   17  -14 o   43.092   6.9059  660.060  130.071  492.994  335.109  689.694  141.136   37.993   12.847   48.192   5.0709 -10.19910 13.81186 
1 1 1   20   18  -14 o   22.920   5.3616  173.309   80.590 -86.6303  222.901  212.397   86.437   19.743   8.9697   26.096   5.8764 -6.353409 10.72324 
1 1 1   20   19  -14 o   25.824   6.0021  117.946   74.473  396.637  218.992   81.501   79.193   34.220   10.265   17.427   6.2240 16.79238 12.00419 
1 1 1   20   20  -14 o   28.882   6.7177  232.561   73.850  227.663  355.160  232.782   75.500   30.235   12.498   27.529   4.9298 2.706198 13.43536 
1 1 1   20   21  -14 o   15.319   4.3547   21.289   62.280   87.974   91.797 -35.5856   84.776   18.228   6.6747   12.409   5.5949 5.818199 8.709435 
1 1 1   20   22  -14 o   15.793   5.2447 -125.6839  117.377 -83.6085  143.749 -209.8606  203.324   15.269   7.0363   16.316   7.7792 -1.046885 10.48932 
1 1 1   20   23  -14 o   17.667   5.9440 -112.7294  134.024 -465.2856  343.966 -49.6227  145.525   19.215   9.3879   16.120   7.2933 3.094576 11.88803 
1 1 1   20   24  -14 o   21.135   6.3359  141.999   83.457   0.0000   0.0000  141.999   83.457  ?   ?    21.135   6.3359      ?      ? 
1 1 1   20   25  -14 o   20.765   5.7763  107.890   98.544  121.779  119.846   78.900  173.149   20.655   7.6170   20.876   8.6859 -0.2210712 11.55264 
1 1 1   20   26  -14 o   17.891   5.6719 -11.2206  109.389 -26.5312  211.739  -5.6465  127.759   19.650   8.8523   16.132   7.0936 3.517912 11.34382 
1 1 1   20   27  -14 o   26.511   7.6060  177.445  179.952   65.973  228.236  360.596  292.554   22.144   9.6135   30.878   11.789 -8.734104 15.21191 
1 1 1   20   28  -14 o   17.198   7.3255   32.873  127.826   0.0000   0.0000   32.873  127.826  ?   ?    17.198   7.3255      ?      ? 
1 1 1   20   29  -14 o   23.099   5.9898  160.199  106.835  254.185  162.217   88.208  141.973   26.623   8.9389   19.576   7.9754 7.047100 11.97956 
1 1 1   20   30  -14 o   22.466   5.6459  159.903  103.051   19.809  159.522  260.236  135.000   17.977   7.9151   26.956   8.0532 -8.979530 11.29173 
1 1 1   20    0  -15 o   54.110   5.1728  541.124  105.596  1531.29  343.722  437.933  110.962   70.531   8.8097   37.689   5.4239 -0.000000 0.000000 
1 1 1   20    1  -15 o   29.776   5.7244  223.959   90.896  404.849  186.422  167.542  104.110   35.947   8.9998   23.605   7.0767 12.34263 11.44889 
1 1 1   20    2  -15 o   27.706   5.6667  221.206   95.232  310.823  153.232  164.808  121.559   31.619   8.2895   23.793   7.7286 7.826012 11.33347 
1 1 1   20    3  -15 o   33.386   5.7548  381.179  105.761  438.912  122.496  212.130  209.613   38.651   5.4875   28.121   10.117 10.53019 11.50960 
1 1 1   20    4  -15 f   17.625   5.1812  -4.9200   85.792   98.928  145.953 -59.7441  106.047   21.614   8.3090   13.636   6.1918 7.978019 10.36232 
1 1 1   20    5  -15 o   14.856   4.3746   2.1677   63.173 -37.6206   83.073   56.729   97.280   12.398   5.5686   17.315   6.7481 -4.917361 8.749108 
1 1 1   20    6  -15 o   30.313   7.1573  270.614  138.433  280.588  162.621  244.367  263.810   30.114   8.7983   30.512   11.291 -0.3988514 14.31452 
1 1 1   20    7  -15 o   10.924   5.5145 -463.9201   75.873 -533.9174  165.189 -445.2048   85.416   10.924   5.5145  ?   ?       ?      ? 
1 1 1   20    8  -15 o   15.582   4.9326 -39.3423   86.233 -73.4972  153.654 -23.6391  104.187   16.595   7.5024   14.569   6.4060 2.026288 9.865230 
1 1 1   20    9  -15 o   13.465   4.6629 -281.1932   98.501 -121.2045  184.765 -344.7183  116.425   17.420   8.0088   9.5088   4.7778 7.911509 9.325714 
1 1 1   20   10  -15 o   17.563   4.7941   18.199   78.201 -91.6596  107.560  141.384  113.897   12.875   5.9860   22.252   7.4901 -9.377566 9.588175 
1 1 1   20   11  -15 o   16.238   5.2010 -84.8567  107.122 -19.4567  148.342 -156.1258  154.855   17.613   7.6965   14.862   6.9974 2.750280 10.40196 
1 1 1   20   12  -15 o   17.653   4.7905   60.759   62.852   49.292   74.055   90.294  118.848   15.431   5.9218   19.876   7.5318 -4.444594 9.581028 
1 1 1   20   13  -15 o   19.104   5.7406 -35.1251   87.919 -76.6168   96.844  159.357  209.669   12.355   5.7221   25.854   9.9537 -13.49904 11.48120 
1 1 1   20   14  -15 o   32.318   6.3276  227.062   82.168  195.544   86.440  522.498  264.648   25.098   6.0371   39.538   11.122 -14.44021 12.65523 
1 1 1   20   15  -15 o   20.996   4.7957  126.184   68.200  177.513   98.868   79.586   94.200   23.885   6.8259   18.107   6.7380 5.777784 9.591367 
1 1 1   20   16  -15 o   20.195   4.4413  119.571   58.665   81.144   80.590  162.886   85.563   17.528   6.2767   22.861   6.2852 -5.333063 8.882618 
1 1 1   20   17  -15 o   26.385   5.5906  233.124   80.179  252.584   86.680  117.807  211.012   28.614   5.4441   24.157   9.7663 4.456509 11.18116 
1 1 1   20   18  -15 o   8.4440   2.9853 -229.0588   60.656 -259.3652   89.279 -203.0776   82.663   8.3478   4.1930   8.5401   4.2504 -0.1923208 5.970535 
1 1 1   20   19  -15 o   23.991   5.3765  138.266   62.726  118.520   67.453  264.518  170.561   19.551   5.6534   28.432   9.1469 -8.881584 10.75301 
1 1 1   20   20  -15 o   11.841   4.1199 -195.7136   84.705 -158.9926   97.865 -305.3728  169.118   10.500   5.1024   13.182   6.4700 -2.682803 8.239843 
1 1 1   20   21  -15 o   21.679   5.7338  109.664  105.926  213.818  143.100 -16.5784  157.544   25.682   8.3876   17.677   7.8202 8.005123 11.46763 
1 1 1   20   22  -15 o   20.912   4.1176  139.799   52.427  166.604   71.279  108.207   77.383   22.957   5.4563   18.867   6.1683 4.090403 8.235216 
1 1 1   20   23  -15 o   23.025   6.6169  -6.9855   89.499 -51.9377   94.091  420.119  290.028   12.578   5.7578   33.472   11.916 -20.89337 13.23386 
1 1 1   20   24  -15 o   18.386   4.6721   90.463   65.951  137.359   91.865   40.586   94.738   20.874   6.7127   15.899   6.5004 4.974901 9.344254 
1 1 1   20   25  -15 o   27.726   4.7944  242.937   67.942  234.573   77.904  269.508  138.861   27.347   5.1207   28.105   8.1070 -0.7581348 9.588820 
1 1 1   20   26  -15 o   18.795   5.7600   27.267  115.223   17.143  157.730   38.852  168.724   18.254   7.9575   19.337   8.3300 -1.082922 11.52003 
1 1 1   20   27  -15 o   21.523   5.5842  105.340   77.614   69.308   87.279  241.530  169.684   16.716   6.4256   26.330   9.1348 -9.613708 11.16837 
1 1 1   20   28  -15 o   25.609   4.3858  258.755   66.495  316.380   76.082   72.356  136.836   32.373   4.0692   18.844   7.7707 13.52987 8.771695 
1 1 1   20   29  -15 o   16.196   4.8737   31.749   79.584   23.744  120.023   38.030  106.317   16.295   7.0226   16.097   6.7598 0.1978741 9.747368 
1 1 1   20    0  -16 o   47.688   6.4887  700.371  169.359  700.371  169.359   0.0000   0.0000   47.688   6.4887   47.688   6.4887 -0.000000 0.000000 
1 1 1   20    1  -16 o   14.788   4.8659 -118.7146   99.964 -139.4159  153.232 -103.3770  131.895   15.133   7.0722   14.444   6.6854 0.6888895 9.731889 
1 1 1   20    2  -16 o   46.029   3.8849  617.698  102.365  670.310  157.745  579.426  134.541   47.666   5.7301   44.393   5.2475 3.273071 7.769847 
1 1 1   20    3  -16 o   32.648   6.6187  281.420  117.703  473.659  239.626  220.290  135.127   38.447   10.497   26.848   8.0652 11.59961 13.23746 
1 1 1   20    4  -16 o   9.5158   4.7833 -411.3319   83.775 -350.4758  117.323 -474.6396  119.663   9.5158   4.7833  ?   ?       ?      ? 
1 1 1   20    5  -16 o   15.061   4.7412 -26.3175   77.071 -76.7191  145.745  -6.7520   90.806   15.995   7.2616   14.126   6.0981 1.869515 9.482469 
1 1 1   20    6  -16 o   26.660   7.0458  162.028  102.135  190.646  318.518  158.748  107.828   30.248   12.080   23.072   7.2566 7.176414 14.09157 
1 1 1   20    7  -16 o   17.400   8.4446 -546.1320  103.658 -569.9362  112.580 -413.5653  265.677  ?   ?    17.400   8.4446      ?      ? 
1 1 1   20    8  -16 f   13.550   4.6705 -125.2167   71.453 -123.8703   76.880 -133.7544  193.600   9.4660   4.5817   17.635   8.1401 -8.168644 9.341004 
1 1 1   20    9  -16 o   15.796   5.0469 -124.4557   71.832   94.364  181.700 -164.9904   78.203   22.793   9.1160   8.7978   4.3340 13.99546 10.09381 
1 1 1   20   10  -16 o   17.516   5.7048 -16.4119   75.977 -10.3107   79.326 -84.1436  264.302   13.013   5.6584   22.019   9.9076 -9.006124 11.40953 
1 1 1   20   11  -16 o   29.794   4.9479  265.820   72.956  280.792  158.055  261.767   82.242   29.790   8.6654   29.798   4.7789 -0.7581711E-02 9.895785 
1 1 1   20   12  -16 o   25.171   4.7263  199.862   68.764  211.543   86.639  179.979  113.037   26.140   5.8812   24.202   7.4002 1.937960 9.452590 
1 1 1   20   13  -16 o   12.021   4.2345 -204.0512   77.346 -207.3593  175.953 -203.2589   86.112   15.179   7.2369   8.8633   4.3989 6.315410 8.468918 
1 1 1   20   14  -16 o   15.290   5.0803 -146.8023  111.389 -166.6914  143.888 -117.0565  175.966   13.825   6.5782   16.756   7.7436 -2.931079 10.16052 
1 1 1   20   15  -16 o   24.602   6.2588  157.609   91.817  150.806  100.350  192.585  227.546   22.206   7.0027   26.997   10.376 -4.791464 12.51765 
1 1 1   20   16  -16 o   15.027   4.1646 -13.4480   61.965  115.668   92.756 -117.5143   83.273   19.930   6.7590   10.124   4.8674 9.805553 8.329211 
1 1 1   20   17  -16 o   15.512   4.4919   25.230   65.362 -11.1950   89.894   66.088   95.207   13.697   5.9882   17.327   6.6971 -3.630236 8.983868 
1 1 1   20   18  -16 o   19.610   4.3460   87.166   57.098   26.858   70.013  206.935   98.664   13.778   5.6056   25.442   6.6429 -11.66376 8.692000 
1 1 1   20   19  -16 o   8.9056   3.0906 -145.9806   53.923 -143.5193   72.033 -149.1180   81.327   8.5327   4.1949   9.2785   4.5399 -0.7458057 6.181255 
1 1 1   20   20  -16 o   27.706   5.0678  231.085   57.852  228.581   61.128  252.585  179.102   27.776   3.8106   27.637   9.3920 0.1387825 10.13561 
1 1 1   20   21  -16 o   25.041   6.3935  149.311   65.936  247.095  294.071  144.135   67.659   28.738   11.560   21.345   5.4649 7.392647 12.78702 
1 1 1   20   22  -16 o   19.236   6.4249 -56.6416   89.811  114.634  336.293 -69.7955   93.196   26.460   11.575   12.011   5.5803 14.44935 12.84983 
1 1 1   20   23  -16 o   9.9970   3.3946 -128.3440   59.467 -225.2706   91.230 -56.7362   78.415   8.8735   4.4241   11.121   5.1498 -2.247122 6.789241 
1 1 1   20   24  -16 o   14.847   4.7676 -43.2328   84.280 -29.3278  144.031 -50.4731  103.931   16.390   7.3493   13.304   6.0754 3.086305 9.535295 
1 1 1   20   25  -16 o   12.302   4.1318 -107.2976   67.790 -132.9772   79.540 -39.1221  129.600   9.3549   4.5582   15.250   6.8927 -5.895004 8.263553 
1 1 1   20   26  -16 o   12.683   5.6622 -21.1083   84.503 -21.1083   84.503   0.0000   0.0000   12.683   5.6622  ?   ?       ?      ? 
1 1 1   20   27  -16 o   14.075   4.4558 -25.5139   64.393 -44.4115   74.330   31.329  128.914   11.039   5.0768   17.111   7.3242 -6.072111 8.911683 
1 1 1   20   28  -16 o   17.172   4.5326   82.128   61.846  109.267   77.874   35.773  101.776   18.566   6.1935   15.779   6.6195 2.787004 9.065133 
1 1 1   20    0  -17 o   61.372   7.1294  1150.64  243.809  1150.64  243.809   0.0000   0.0000   61.372   7.1294   61.372   7.1294 -0.000000 0.000000 
1 1 1   20    1  -17 f   49.504   3.9062  722.809  111.554  677.976  154.335  771.856  161.427   47.888   5.5803   51.119   5.4677 -3.231804 7.812495 
1 1 1   20    2  -17 o   21.733   6.0718   89.922  112.637   84.719  156.758   95.476  161.956   21.425   8.4999   22.041   8.6727 -0.6158714 12.14351 
1 1 1   20    3  -17 o   48.945   5.2178  706.510  147.497   0.0000   0.0000  706.510  147.497  ?   ?    48.945   5.2178      ?      ? 
1 1 1   20    4  -17 o   19.715   5.4334   79.881   85.952   59.618  150.070   89.772  104.854   20.196   8.2106   19.235   7.1184 0.9609795 10.86671 
1 1 1   20    5  -17 o   17.808   5.3998   6.9171   89.350   28.402  172.071  -1.0147  104.549   20.290   8.5644   15.326   6.5790 4.964250 10.79967 
1 1 1   20    6  -17 o   31.996   6.7842  178.542   96.891  614.849  293.160  125.038  102.660   43.006   11.556   20.985   7.1108 22.02169 13.56832 
1 1 1   20    7  -17 o   24.501   5.1225  180.244   76.768  216.172  120.019  155.366   99.871   26.353   7.5171   22.650   6.9609 3.703016 10.24507 
1 1 1   20    8  -17 o   11.120   4.0398 -385.8626   93.670 -510.1138  214.017 -356.4210  104.178   13.747   6.8414   8.4937   4.2984 5.253313 8.079639 
1 1 1   20    9  -17 o   15.294   4.8538 -97.8450   93.824 -206.9964  127.348   31.746  138.760   12.042   5.8447   18.545   7.7509 -6.502784 9.707609 
1 1 1   20   10  -17 o   14.503   4.8493 -124.5645   84.708 -60.3639  179.883 -142.8577   96.021   18.258   8.1980   10.749   5.1823 7.509094 9.698592 
1 1 1   20   11  -17 o   9.6981   4.8273 -338.9357   76.977 -262.7927  106.756 -421.3976  111.097   9.6981   4.8273  ?   ?       ?      ? 
1 1 1   20   12  -17 o   15.151   4.6330 -28.7258   78.839 -112.0351  112.576   51.461  110.446   12.690   5.9719   17.612   7.0848 -4.922765 9.265977 
1 1 1   20   13  -17 o   10.409   3.5721 -148.3226   65.587 -150.9003  102.501 -146.5355   85.346   11.087   5.3477   9.7315   4.7373 1.355530 7.144228 
1 1 1   20   14  -17 o   18.310   5.9628 -19.9759   79.862 -22.1786   83.314   4.9647  280.348   12.806   5.6751   23.814   10.489 -11.00818 11.92569 
1 1 1   20   15  -17 o   32.262   5.3090  353.397   84.558  373.989   95.013  274.978  185.419   35.451   4.6405   29.073   9.5502 6.378029 10.61790 
1 1 1   20   16  -17 o   17.259   4.3971   71.620   54.655   48.373   68.190  113.385   91.398   14.840   5.6854   19.678   6.7092 -4.838289 8.794175 
1 1 1   20   17  -17 o   17.140   5.5027 -64.5874   87.814   71.077  212.651 -92.4776   96.419   22.508   9.5119   11.771   5.5358 10.73696 11.00545 
1 1 1   20   18  -17 o   29.556   3.2985  257.021   56.306  257.021   56.306   0.0000   0.0000   29.556   3.2985  ?   ?       ?      ? 
1 1 1   20   19  -17 o   19.447   4.4229  113.971   60.930   43.675   92.872  167.093   80.733   16.007   6.4764   22.886   6.0252 -6.879217 8.845767 
1 1 1   20   20  -17 o   22.984   6.5498   60.474   63.399   46.181   64.928  353.278  293.871   14.412   5.5416   31.556   11.870 -17.14428 13.09957 
1 1 1   20   21  -17 o   25.542   4.1991  211.787   60.744  234.786   81.388  182.864   91.270   27.326   5.3485   23.759   6.4747 3.567507 8.398106 
1 1 1   20   22  -17 o   17.211   5.3400  -2.4813   77.552 -20.5476   85.110   85.908  188.254   12.835   5.7095   21.587   9.0257 -8.752450 10.67995 
1 1 1   20   23  -17 o   29.201   5.2214  246.995   78.542  204.426   89.975  383.295  160.999   25.078   6.2380   33.325   8.3750 -8.246828 10.44283 
1 1 1   20   24  -17 o   20.149   4.6091  130.044   59.715  140.755   71.924  106.280  107.132   20.916   5.7676   19.383   7.1910 1.532904 9.218170 
1 1 1   20   25  -17 o   12.489   4.4084 -149.6854   69.132 -152.4424   74.220 -131.6214  189.981   8.5031   4.1952   16.475   7.7548 -7.971843 8.816845 
1 1 1   20   26  -17 o   15.758   4.9327   5.7054   60.777  -2.3736   65.069   60.961  170.170   11.780   5.1236   19.736   8.4305 -7.955635 9.865349 
1 1 1   20   27  -17 o   27.367   5.2827  263.436   87.997  325.211  122.391  197.329  126.610   30.876   7.0221   23.858   7.8943 7.017696 10.56548 
1 1 1   20    0  -18 o   7.7476   4.0066 -394.4758  112.665 -275.9637  142.503 -592.0582  183.999   8.0057   5.7958   7.4895   5.5335 -0.000000 0.000000 
1 1 1   20    1  -18 o   25.373   6.0883  172.271   97.175  147.418  113.647  239.856  187.406   22.470   7.4814   28.275   9.6073 -5.805786 12.17664 
1 1 1   20    2  -18 o   16.247   5.0085 -18.8334   89.305 -55.9206  127.187   17.233  125.424   15.192   6.8508   17.301   7.3079 -2.109524 10.01691 
1 1 1   20    3  -18 o   21.701   5.4262  128.354   86.019  158.071  115.845   91.832  128.423   23.079   7.5471   20.324   7.7986 2.755100 10.85250 
1 1 1   20    4  -18 o   11.493   4.0174 -306.8002   98.153 -244.1454  137.347 -372.1967  140.320   12.179   5.9465   10.808   5.4036 1.371571 8.034898 
1 1 1   20    5  -18 o   21.682   5.6643  108.376  103.818 -73.4779  181.799  196.377  126.467   18.097   8.1731   25.267   7.8444 -7.169680 11.32852 
1 1 1   20    6  -18 f   18.495   5.8141   4.0814  102.394   48.155  110.045 -280.2051  279.486   17.517   7.0629   19.473   9.2374 -1.956144 11.62820 
1 1 1   20    7  -18 o   20.062   5.3771   29.589   97.356  207.099  147.932 -106.0309  129.304   26.049   8.5290   14.075   6.5504 11.97444 10.75415 
1 1 1   20    8  -18 o   27.249   5.0511  268.030   80.322   72.918  178.770  317.381   89.908   21.744   8.9144   32.755   4.7527 -11.01099 10.10216 
1 1 1   20    9  -18 o   25.050   5.2917  195.436   80.597  193.184  133.779  196.719  100.981   25.074   8.1044   25.026   6.8064 0.4793358E-01 10.58345 
1 1 1   20   10  -18 o   26.716   4.9695  225.087   73.459  219.615  134.783  227.399   87.616   26.381   8.0831   27.051   5.7832 -0.6709595 9.938951 
1 1 1   20   11  -18 o   12.671   4.2864 -148.6990   86.202 -182.9540  141.010 -128.2587  108.926   13.307   6.3806   12.034   5.7256 1.272706 8.572886 
1 1 1   20   12  -18 o   26.605   5.4368  229.022   84.787  200.962  155.318  240.934  101.196   25.602   8.7460   27.609   6.4610 -2.007120 10.87365 
1 1 1   20   13  -18 o   39.121   6.6617  497.947  143.193  457.476  176.627  575.551  244.585   37.350   8.3926   40.892   10.348 -3.541668 13.32336 
1 1 1   20   14  -18 o   14.394   4.8354 -142.1341  102.536 -115.7844  124.450 -197.8271  180.929   13.376   6.2901   15.413   7.3456 -2.036201 9.670763 
1 1 1   20   15  -18 o   10.915   3.6284 -88.9099   59.592 -135.6996   86.565 -46.7616   82.159  10.0000   4.8456   11.830   5.4019 -1.829347 7.256779 
1 1 1   20   16  -18 o   12.113   3.9116 -48.7633   61.127 -25.1762   80.387 -81.1005   94.123   12.376   5.5239   11.850   5.5396 0.5257807 7.823113 
1 1 1   20   17  -18 o   41.074   4.6556  520.648  109.871  480.305  146.572  572.393  165.999   39.333   6.4522   42.815   6.7131 -3.482178 9.311116 
1 1 1   20   18  -18 o   22.246   4.9011  169.937   79.128 -33.9711  161.453  234.398   90.777   17.366   7.7843   27.127   5.9573 -9.760714 9.802228 
1 1 1   20   19  -18 o   25.806   4.6947  206.854   67.089  249.559  117.848  186.378   81.603   27.478   7.3015   24.134   5.9033 3.343897 9.389421 
1 1 1   20   20  -18 o   15.259   4.5854   16.638   70.419   26.095  103.187   8.3952   96.340   15.812   6.6508   14.707   6.3144 1.104453 9.170878 
1 1 1   20   21  -18 o   40.547   4.6593  537.116   98.563  563.755  121.486  485.809  168.598   43.091   4.8815   38.003   7.9377 5.088615 9.318533 
1 1 1   20   22  -18 o   32.715   6.9643  362.915  117.139  353.272  127.112  417.232  301.678   32.748   6.9366   32.681   12.078 0.6652069E-01 13.92855 
1 1 1   20   23  -18 o   31.320   5.3370  329.704   88.008  333.608  101.795  318.148  175.135   32.871   5.3621   29.770   9.2294 3.100391 10.67396 
1 1 1   20   24  -18 o   35.269   4.6930  408.398   92.909  455.281  128.475  357.001  134.520   38.068   5.8436   32.470   7.3451 5.597984 9.386074 
1 1 1   20   25  -18 o   19.055   5.4915   50.636   91.025  -4.9690  109.831  172.607  162.666   14.881   6.5590   23.229   8.8094 -8.348768 10.98296 
1 1 1   20   26  -18 o   37.407   4.4884  470.320   90.957  625.807  128.045  311.948  129.227   44.924   4.9351   29.891   7.4985 15.03370 8.976777 
1 1 1   20    0  -19 o   34.560   8.7049  429.114  154.974  676.902  275.467  314.371  187.453   42.263   12.916   26.857   11.673 -0.000000 0.000000 
1 1 1   20    1  -19 o   16.266   5.2327 -91.6907  109.572 -162.4032  153.007 -17.2531  156.985   14.516   6.8711   18.015   7.8938 -3.499226 10.46535 
1 1 1   20    2  -19 o   32.355   5.0991  322.660   96.782  462.236  142.119  201.953  132.164   39.176   6.2812   25.533   8.0343 13.64315 10.19823 
1 1 1   20    3  -19 o   17.665   5.2140   30.626   88.508   46.822  117.431   9.3264  134.669   17.832   7.2578   17.498   7.4879 0.3333340 10.42804 
1 1 1   20    4  -19 o   18.505   5.2605   59.221   84.159   52.069  137.521   63.504  106.411   19.090   7.8215   17.920   7.0367 1.170038 10.52098 
1 1 1   20    5  -19 o   17.665   5.4002  -5.3754  100.275 -35.8178  132.275   35.758  153.757   15.980   7.1126   19.350   8.1278 -3.370579 10.80046 
1 1 1   20    6  -19 o   33.812   6.2901  318.572  110.249  260.465  125.774  511.314  229.070   28.566   7.5205   39.059   10.085 -10.49380 12.58023 
1 1 1   20    7  -19 o   13.553   4.4662 -98.1746   85.048 -215.7214  148.818 -41.1632  103.641   13.294   6.4202   13.812   6.2104 -0.5172911 8.932416 
1 1 1   20    8  -19 o   22.941   5.5602  157.009   87.516  126.672  148.891  173.023  108.176   22.316   8.4365   23.566   7.2449 -1.250645 11.12041 
1 1 1   20    9  -19 f   38.994   3.6119  448.371   80.657  538.328  121.539  377.575  107.822   42.482   4.9537   35.507   5.2579 6.975552 7.223879 
1 1 1   20   10  -19 f   31.092   5.0981  342.246   78.705  220.421  173.708  373.716   88.288   26.669   9.2431   35.515   4.3043 -8.845356 10.19617 
1 1 1   20   11  -19 o   13.283   4.3607 -112.6418   80.079 -17.9112  124.538 -179.4186  104.561   15.870   6.9902   10.697   5.2153 5.172367 8.721366 
1 1 1   20   12  -19 o   21.706   6.5118   41.116  144.673 -40.7651  202.526  126.437  206.735   19.459   8.7208   23.954   9.6728 -4.494459 13.02366 
1 1 1   20   13  -19 o   35.904   5.5287  393.650  100.470  467.772  202.354  369.398  115.745   36.972   9.4430   34.837   5.7528 2.134640 11.05734 
1 1 1   20   14  -19 o   13.994   4.5719 -117.2438   83.553   8.7639  140.300 -186.4917  104.007   17.488   7.5646   10.500   5.1367 6.988357 9.143771 
1 1 1   20   15  -19 o   14.128   4.8219 -186.8982   89.078 -40.6064  188.731 -228.8285  101.041   18.632   8.3791   9.6234   4.7743 9.008788 9.643790 
1 1 1   20   16  -19 o   17.552   4.9807   58.705   78.044  -5.6789  131.921   93.371   96.800   16.509   7.2349   18.596   6.8474 -2.087063 9.961429 
1 1 1   20   17  -19 o   14.878   4.8292 -69.0054   76.245   23.525  163.803 -94.5984   86.147   18.947   8.1847   10.810   5.1280 8.137093 9.658470 
1 1 1   20   18  -19 o   23.985   6.3788  165.748  131.844 -79.0582  249.638  260.447  155.265   20.297   9.3232   27.672   8.7084 -7.374889 12.75769 
1 1 1   20   19  -19 o   23.481   4.7756  185.791   76.295   60.495  121.390  267.604   98.090   18.082   7.3716   28.880   6.0735 -10.79809 9.551289 
1 1 1   20   20  -19 o   32.333   5.0355  286.322   75.541  465.128  177.203  246.611   83.509   36.715   8.5210   27.951   5.3682 8.764307 10.07104 
1 1 1   20   21  -19 o   18.642   5.7349   21.150  115.114   6.4475  157.243   38.130  168.981   17.948   7.8814   19.336   8.3331 -1.388704 11.46982 
1 1 1   20   22  -19 o   17.965   5.1187   18.780   73.928  178.225  151.392 -31.1464   84.716   23.556   8.5799   12.375   5.5848 11.18111 10.23746 
1 1 1   20   23  -19 f   16.838   5.2276  -2.6031   95.192   54.444  154.678 -37.3807  120.771   19.022   8.0794   14.654   6.6359 4.367454 10.45519 
1 1 1   20   24  -19 o   17.444   5.4445   25.218   95.134   51.979  106.129 -84.2316  214.631   16.700   6.8601   18.188   8.4563 -1.487875 10.88900 
1 1 1   20   25  -19 o   20.606   5.8099  113.737  108.188   23.936  173.614  170.746  138.329   18.634   8.2281   22.579   8.2049 -3.944984 11.61985 
1 1 1   20    0  -20 o   26.446   8.7933  245.716  152.493  538.703  279.746  121.849  181.894   35.135   14.147   17.757   10.447 -0.000000 0.000000 
1 1 1   20    1  -20 o  ?   ?  -557.5784   86.317 -472.5621  125.309 -634.3405  119.071  ?   ?   ?   ?       ?      ? 
1 1 1   20    2  -20 o   12.508   4.2272 -152.9877   86.182 -179.4044  125.394 -129.3381  118.645   12.281   5.9215   12.735   6.0344 -0.4533262 8.454428 
1 1 1   20    3  -20 o   37.099   6.4346  394.361  108.289  560.336  271.611  362.992  118.079   40.063   11.267   34.134   6.2188 5.929119 12.86921 
1 1 1   20    4  -20 o   12.289   4.1548 -156.6445   84.487 -99.8870  113.849 -226.2116  126.043   13.009   6.0848   11.569   5.6590 1.439469 8.309575 
1 1 1   20    5  -20 o   10.599   5.3462 -514.8697   87.477 -534.3274  106.438 -474.3728  153.554  ?   ?    10.599   5.3462      ?      ? 
1 1 1   20    6  -20 o   26.765   4.7526  207.794   78.900  376.004  123.102   90.515  102.789   34.634   6.3896   18.896   7.0371 15.73822 9.505157 
1 1 1   20    7  -20 o   12.079   4.2202 -245.2343   94.979 -355.9468  180.465 -202.8195  111.700   13.292   6.5551   10.865   5.3171 2.427414 8.440420 
1 1 1   20    8  -20 o   45.047   4.2009  663.827   92.281  530.625  168.916  720.495  110.175   40.696   7.4618   49.398   3.8618 -8.702541 8.401875 
1 1 1   20    9  -20 o   40.691   4.9428  506.628  109.205  469.453  135.446  575.685  184.605   39.239   5.9767   42.142   7.8744 -2.902584 9.885668 
1 1 1   20   10  -20 o   16.060   5.3004 -122.3392  119.915 -93.5033  155.636 -164.4650  188.113   15.817   7.3003   16.302   7.6866 -0.4849329 10.60087 
1 1 1   20   11  -20 o   50.575   3.9455  764.719  114.261  885.100  175.972  676.970  150.240   53.928   5.6500   47.222   5.5087 6.705086 7.891032 
1 1 1   20   12  -20 o   24.981   5.5426  195.592   80.661  200.148  166.974  194.205   92.123   25.356   9.0396   24.605   6.4163 0.7511215 11.08522 
1 1 1   20   13  -20 o   14.189   4.5245 -45.4907   78.214 -10.0035  117.518 -73.7100  104.795   15.533   6.8174   12.846   5.9504 2.687363 9.048962 
1 1 1   20   14  -20 o   12.927   4.4806 -268.9021  111.082 -273.9177  172.047 -265.3167  145.464   13.664   6.6680   12.190   5.9867 1.473623 8.961143 
1 1 1   20   15  -20 o   30.261   5.3208  351.432   87.706  153.140  199.074  399.191   97.699   24.107   9.5740   36.415   4.6454 -12.30788 10.64150 
1 1 1   20   16  -20 o   17.841   5.1325   63.140   76.585   14.909  155.956   78.467   87.915   18.289   7.9432   17.394   6.5020 0.8952656 10.26506 
1 1 1   20   17  -20 o   31.218   5.1439  341.482   80.229  263.705  173.495  362.638   90.485   27.734   9.2442   34.702   4.5148 -6.968147 10.28777 
1 1 1   20   18  -20 o   28.137   5.7942  304.257   88.225 -18.8877  309.923  332.752   92.032   23.157   10.542   33.117   4.8117 -9.960243 11.58844 
1 1 1   20   19  -20 o   19.753   5.4446   52.112   97.612  204.758  149.106 -62.3675  129.127   24.848   8.5663   14.658   6.7227 10.18981 10.88925 
1 1 1   20   20  -20 f   19.119   5.2188   60.768   92.605 -73.0330  133.897  183.452  128.214   14.656   6.7669   23.581   7.9468 -8.925161 10.43755 
1 1 1   20   21  -20 o   13.873   4.6806 -119.9385   92.940 -137.2862  174.699 -113.0906  109.762   15.609   7.3744   12.136   5.7662 3.473259 9.361132 
1 1 1   20   22  -20 o   26.968   4.9628  255.141   87.069  103.226  129.511  380.428  117.614   19.760   7.7618   34.175   6.1866 -14.41554 9.925665 
1 1 1   20   23  -20 o   29.361   5.8494  309.055  104.883  372.368  150.174  248.764  146.547   32.393   8.0597   26.329   8.4795 6.063946 11.69872 
1 1 1   20    0  -21 o   43.871   6.4357  605.982  152.788  605.982  152.788   0.0000   0.0000   43.871   6.4357   43.871   6.4357 -0.000000 0.000000 
1 1 1   20    1  -21 o   13.947   4.5200 -134.8414   92.367   16.754  121.249 -344.4768  142.583   16.756   7.1359   11.139   5.5499 5.617239 9.040049 
1 1 1   20    2  -21 o   33.473   4.7273  349.177   86.148  343.250  107.291  359.932  144.528   33.698   5.5128   33.249   7.6811 0.4493561 9.454666 
1 1 1   20    3  -21 f   13.824   4.5614 -93.0715   83.819 -101.7164  102.918 -76.0412  144.451   12.086   5.6947   15.561   7.1272 -3.475004 9.122862 
1 1 1   20    4  -21 o   22.050   4.9998  130.184   90.458  264.597  115.533 -82.7586  145.417   28.641   7.0353   15.458   7.1061 13.18312 9.999616 
1 1 1   20    5  -21 o   19.030   4.7121   67.198   80.097 -113.8903  124.460  195.221  104.647   13.392   6.2951   24.668   7.0133 -11.27612 9.424119 
1 1 1   20    6  -21 o   29.397   4.9006  281.046   79.928  264.599  131.768  290.620  100.536   28.389   7.7976   30.406   5.9381 -2.016741 9.801187 
1 1 1   20    7  -21 o   29.685   6.4561  288.877  120.918  238.303  158.747  358.773  186.624   27.003   8.8350   32.366   9.4164 -5.362862 12.91225 
1 1 1   20    8  -21 o   21.427   5.8742   68.323  121.649  226.320  158.501 -158.1501  189.765   26.412   8.8361   16.442   7.7427 9.969444 11.74844 
1 1 1   20    9  -21 o   25.605   5.3493  213.946   84.620  210.657  120.289  217.168  119.060   25.424   7.6033   25.786   7.5266 -0.3624325 10.69858 
1 1 1   20   10  -21 o   18.849   5.2362   71.276   87.660  -8.4118  134.118  130.709  115.825   16.578   7.2793   21.121   7.5289 -4.543190 10.47243 
1 1 1   20   11  -21 o   35.630   6.6696  443.296  138.628  447.098  183.238  438.207  211.989   36.140   8.8497   35.119   9.9809 1.020454 13.33924 
1 1 1   20   12  -21 o   16.433   4.9950  -7.5495   87.023   73.187  132.667 -68.5235  115.293   19.163   7.7450   13.704   6.3099 5.458769 9.989988 
1 1 1   20   13  -21 o   28.840   6.6868  267.780   95.403  227.628  324.633  271.576   99.810   28.551   11.888   29.130   6.1269 -0.5784893 13.37361 
1 1 1   20   14  -21 o   12.885   6.4502 -565.4219  111.619 -593.4853  133.682 -500.8188  202.829  ?   ?    12.885   6.4502      ?      ? 
1 1 1   20   15  -21 o   25.481   6.9971  166.257  115.444  146.469  125.561  274.417  293.548   21.941   7.8370   29.021   11.594 -7.079390 13.99417 
1 1 1   20   16  -21 o   14.529   4.7177 -55.1055   85.021 -69.4569  149.151 -48.1974  103.480   15.719   7.2152   13.339   6.0801 2.379663 9.435427 
1 1 1   20   17  -21 o   21.761   4.9899  154.853   72.105  114.161  120.923  177.305   89.820   20.222   7.6125   23.299   6.4534 -3.077257 9.979855 
1 1 1   20   18  -21 o   30.794   6.5600  348.121  128.676  275.385  201.533  398.181  167.191   27.899   9.9327   33.690   8.5718 -5.791103 13.11999 
1 1 1   20   19  -21 o   17.571   5.3749   13.388   82.724  100.837  180.731  -9.7885   93.043   21.441   8.8936   13.702   6.0384 7.738356 10.74980 
1 1 1   20   20  -21 o   16.286   5.3470 -53.1933  103.503 -94.2989  216.253 -40.9788  117.883   18.204   8.4717   14.369   6.5262 3.834593 10.69400 
1 1 1   20   21  -21 o   12.381   4.2337 -151.7528   86.835 -182.8103  149.466 -135.9294  106.686   13.363   6.4485   11.399   5.4876 1.963534 8.467394 
1 1 1   20   22  -21 o   22.070   5.9778  152.033  107.002  123.394  148.723  182.766  154.067   20.864   8.2786   23.275   8.6258 -2.411388 11.95568 
1 1 1   20    0  -22 o   28.446   7.1641  340.479  111.019  380.563  140.249  273.215  181.680   32.678   8.6012   24.215   11.459 -0.000000 0.000000 
1 1 1   20    1  -22 o   19.223   5.2806   86.284   84.189   73.574  119.158   98.952  118.965   18.681   7.4109   19.766   7.5246 -1.084553 10.56128 
1 1 1   20    2  -22 o   15.498   4.9514 -93.1481   98.841 -203.9990  134.598   36.595  145.617   12.400   6.0163   18.597   7.8657 -6.196549 9.902723 
1 1 1   20    3  -22 f   29.472   5.4783  286.568   94.975  245.878  132.175  330.004  136.562   27.279   7.9212   31.666   7.5699 -4.386173 10.95666 
1 1 1   20    4  -22 o   14.510   5.0817 -300.9094  131.930 -606.3719  289.566 -220.8892  148.207   16.007   7.9648   13.012   6.3131 2.995160 10.16331 
1 1 1   20    5  -22 o   22.586   5.7392  151.545   92.511  136.156  161.410  159.074  112.893   22.639   8.7285   22.532   7.4543 0.1075249 11.47845 
1 1 1   20    6  -22 o   24.656   5.4481  198.637   85.830  178.220  135.617  212.279  110.856   23.813   8.1719   25.498   7.2075 -1.685329 10.89625 
1 1 1   20    7  -22 o   17.418   5.3807   1.1575  101.544  -4.9407  134.574   9.2202  154.739   16.680   7.3086   18.156   7.8988 -1.476143 10.76134 
1 1 1   20    8  -22 o   36.865   4.1713  414.171   88.296  464.439  133.878  375.474  117.464   38.792   5.9756   34.937   5.8215 3.855457 8.342506 
1 1 1   20    9  -22 o   26.345   5.7336  219.791   96.578  157.061  126.307  308.093  149.855   22.563   7.8782   30.126   8.3324 -7.563002 11.46714 
1 1 1   20   10  -22 o   35.323   4.9572  416.436   98.032  535.992  134.693  281.766  142.953   41.795   5.5800   28.850   8.1951 12.94548 9.914443 
1 1 1   20   11  -22 o   13.473   4.7100 -225.3897  102.527 -277.7290  218.842 -210.6711  116.051   15.986   7.7356   10.960   5.3754 5.025303 9.419905 
1 1 1   20   12  -22 o   21.628   5.4796  139.010   85.135  150.939  137.603  131.612  108.365   22.417   8.1776   20.838   7.2960 1.579624 10.95927 
1 1 1   20   13  -22 o   19.150   5.4366   77.324   91.615  100.099  135.737   58.267  124.163   20.193   7.9415   18.107   7.4269 2.085680 10.87320 
1 1 1   20   14  -22 o   45.127   4.7421  647.773  119.583  777.646  176.116  536.676  162.889   49.861   6.1159   40.393   7.2488 9.467960 9.484120 
1 1 1   20   15  -22 o   26.641   5.4670  244.972   88.285  207.109  149.748  265.143  109.300   24.942   8.5855   28.340   6.7706 -3.398348 10.93395 
1 1 1   20   16  -22 o   16.266   5.3243 -127.9703   89.026  105.690  206.990 -181.0036   98.613   22.458   9.4318   10.073   4.9431 12.38554 10.64859 
1 1 1   20   17  -22 o   20.627   5.6951  114.055   98.366  129.746  137.936   97.818  140.317   21.222   8.0967   20.032   8.0112 1.189203 11.39018 
1 1 1   20   18  -22 o   14.734   5.1173 -339.7454  150.452 -275.9819  213.449 -402.7066  212.102   15.452   7.5153   14.016   6.9473 1.436073 10.23452 
1 1 1   20   19  -22 o   36.797   6.0912  441.382  127.336  281.258  158.227  735.701  214.518   27.851   8.7943   45.743   8.4305 -17.89186 12.18250 
1 1 1   20   20  -22 o   25.844   6.8893  241.374  140.285  213.203  219.206  260.916  182.568   25.107   10.023   26.581   9.4548 -1.474014 13.77854 
1 1 1   20    0  -23 o   18.356   6.8860   92.190  106.873 -16.2383  132.715  292.214  180.257   11.593   7.6569   25.119   11.447 -0.000000 0.000000 
1 1 1   20    1  -23 o   17.083   5.6214 -51.5850   95.670 -52.8431  103.815 -44.4977  246.403   13.294   6.0713   20.872   9.4625 -7.577603 11.24274 
1 1 1   20    2  -23 o   25.541   6.2518  210.703  112.324  232.044  163.682  191.709  154.421   26.470   8.9787   24.613   8.7018 1.856556 12.50355 
1 1 1   20    3  -23 o   32.706   6.7897  346.765  124.056   0.0000   0.0000  346.765  124.056  ?   ?    32.706   6.7897      ?      ? 
1 1 1   20    4  -23 o   17.483   5.0420   50.770   81.997 -11.7762  132.753   89.351  104.264   16.330   7.2037   18.636   7.0563 -2.305834 10.08393 
1 1 1   20    5  -23 o   29.070   6.2735  288.630  114.634  312.806  170.399  268.642  154.937   30.046   9.0638   28.093   8.6762 1.953136 12.54709 
1 1 1   20    6  -23 o   18.697   6.9771   93.419  101.144   0.0000   0.0000   93.419  101.144  ?   ?    18.697   6.9771      ?      ? 
1 1 1   20    7  -23 o   19.221   5.2829   83.110   86.508  135.723  122.122   30.118  122.562   21.386   7.7188   17.055   7.2151 4.330997 10.56584 
1 1 1   20    8  -23 o   24.846   4.9602  195.825   82.939   71.933  117.465  318.993  117.122   18.370   7.3357   31.322   6.6784 -12.95214 9.920373 
1 1 1   20    9  -23 o   12.268   4.1603 -225.9097   90.567 -41.4387  125.361 -427.3030  130.985   15.011   6.7824   9.5243   4.8200 5.486932 8.320668 
1 1 1   20   10  -23 o   22.997   5.4910  165.825   89.227  223.481  125.899  107.639  126.476   25.821   7.7913   20.173   7.7396 5.648020 10.98209 
1 1 1   20   11  -23 o   14.682   4.9922 -229.0263  125.106 -337.1812  174.274 -114.0287  179.703   12.924   6.3862   16.440   7.6748 -3.515878 9.984316 
1 1 1   20   12  -23 o   40.744   4.9257  541.316  112.389  587.454  155.216  490.467  162.950   43.230   6.2168   38.259   7.6421 4.971146 9.851404 
1 1 1   20   13  -23 o   19.103   5.7865  -2.8129  118.151 -113.3413  155.454  148.362  181.804   15.087   7.0740   23.118   9.1593 -8.030144 11.57300 
1 1 1   20   14  -23 o   40.948   6.3152  586.755  144.504  659.840  218.131  529.598  192.904   43.173   9.0382   38.722   8.8225 4.450573 12.63035 
1 1 1   20   15  -23 o   17.023   5.1168   0.9594   92.200  110.096  137.604 -87.9586  124.205   20.386   8.0029   13.660   6.3782 6.726295 10.23363 
1 1 1   20   16  -23 o   18.917   5.6464   49.295  104.907   6.9493  136.821  109.707  163.421   16.774   7.3592   21.059   8.5655 -4.284975 11.29274 
1 1 1   20   17  -23 o   24.803   4.8952  231.487   75.558   99.196  149.697  276.711   87.525   20.177   8.2014   29.428   5.3466 -9.251062 9.790302 
1 1 1   20   18  -23 o   20.479   5.9001   96.041  113.877  169.470  157.438   15.472  164.915   22.833   8.6648   18.124   8.0104 4.708622 11.80026 
1 1 1   20    0  -24 o   19.185   7.5819  167.513  123.812  143.620  160.705  202.406  194.205   17.845   10.108   20.526   11.304 -0.000000 0.000000 
1 1 1   20    1  -24 o   12.067   4.1601 -204.6245   87.142 -126.5891  142.977 -250.7446  109.917   14.186   6.6925   9.9490   4.9433 4.236842 8.320216 
1 1 1   20    2  -24 o   24.095   6.2109  179.760  114.562  121.934  169.996  227.872  155.062   22.119   8.8274   26.071   8.7396 -3.951605 12.42186 
1 1 1   20    3  -24 o   40.589   5.4376  559.774  121.321  448.296  185.682  642.815  160.259   35.783   8.9948   45.396   6.1125 -9.613255 10.87519 
1 1 1   20    4  -24 o   25.051   6.1482  202.719  110.646  148.148  156.084  257.844  156.873   22.677   8.6223   27.425   8.7669 -4.747292 12.29643 
1 1 1   20    5  -24 o   11.698   5.8867 -617.1346  126.441 -729.6661  177.436 -501.0354  180.227  ?   ?    11.698   5.8867      ?      ? 
1 1 1   20    6  -24 o   13.592   4.5923 -165.5628  102.277 -111.1338  141.143 -225.7430  148.413   14.348   6.7314   12.837   6.2487 1.510550 9.184641 
1 1 1   20    7  -24 o   26.617   5.3212  216.714   87.068  353.184  141.384  133.339  110.509   32.341   7.6832   20.892   7.3640 11.44917 10.64234 
1 1 1   20    8  -24 o   42.985   4.3503  546.026  102.548  693.071  182.477  478.149  123.978   46.598   6.7804   39.373   5.4521 7.224899 8.700511 
1 1 1   20    9  -24 o   21.898   5.4433  150.230   86.413  116.957  127.908  178.169  117.206   20.517   7.8043   23.279   7.5903 -2.761816 10.88667 
1 1 1   20   10  -24 o   14.993   5.0399 -154.4726  118.229 -134.9855  157.279 -179.7915  179.275   14.771   6.9842   15.214   7.2680 -0.4429636 10.07979 
1 1 1   20   11  -24 o   22.977   6.0697  143.805  108.657   75.179  139.295  250.454  173.649   19.196   7.8693   26.757   9.2433 -7.560421 12.13936 
1 1 1   20   12  -24 o   34.879   4.8654  419.759   92.198  483.237  117.883  319.760  147.958   39.582   5.1566   30.176   8.2522 9.406427 9.730836 
1 1 1   20   13  -24 f   24.529   5.1368  207.058   89.101  312.207  116.342   57.898  138.567   30.598   6.7635   18.461   7.7331 12.13667 10.27356 
1 1 1   20   14  -24 o   26.972   5.9612  257.606  102.597  245.918  137.508  272.283  154.094   26.424   8.1758   27.521   8.6775 -1.097008 11.92230 
1 1 1   20   15  -24 o   33.144   5.4359  428.940  108.331  202.963  183.595  549.643  134.179   24.501   9.3428   41.788   5.5597 -17.28668 10.87187 
1 1 1   20   16  -24 o   26.606   7.0142  249.948  133.592  229.061  156.359  306.418  257.094   25.245   8.7682   27.966   10.951 -2.720798 14.02839 
1 1 1   20    0  -25 f   11.089   5.5127 -195.1192  138.820 -98.7536  187.415 -312.2621  206.633   12.049   8.2787   10.130   7.2816 -0.000000 0.000000 
1 1 1   20    1  -25 o   10.809   3.7784 -230.1932   81.489 -192.9692  130.049 -254.2564  104.562   12.133   5.8927   9.4863   4.7308 2.646265 7.556738 
1 1 1   20    2  -25 o   11.102   3.8715 -228.5132   86.219 -287.7516  141.943 -193.8775  108.536   11.583   5.7307   10.621   5.2069 0.9613628 7.742919 
1 1 1   20    3  -25 o   21.158   5.5131  133.391   88.641  124.173  133.476  140.664  118.561   20.963   7.9727   21.354   7.6167 -0.3909054 11.02621 
1 1 1   20    4  -25 o   35.571   6.4539  507.369  117.052  295.483  309.328  542.780  126.455   29.135   11.809   42.006   5.2124 -12.87067 12.90779 
1 1 1   20    5  -25 o   13.690   6.4564 -114.7934  132.885   0.0000   0.0000 -114.7934  132.885  ?   ?    13.690   6.4564      ?      ? 
1 1 1   20    6  -25 o   14.116   4.5620 -62.1525   84.060  -9.1466  121.530 -110.7736  116.395   15.562   6.8772   12.670   5.9961 2.891419 9.124073 
1 1 1   20    7  -25 o   14.644   5.0604 -171.9444   99.583 -120.0078  228.499 -184.1217  110.643   18.384   8.6057   10.904   5.3267 7.480014 10.12084 
1 1 1   20    8  -25 o   15.241   5.2918 -217.9041  116.235 -238.5370  130.737 -140.0678  253.927   11.462   5.6382   19.021   8.9568 -7.558479 10.58364 
1 1 1   20    9  -25 o   16.660   5.2107 -37.1757  104.473 -151.1189  147.765   76.711  147.729   13.853   6.6122   19.468   8.0552 -5.615350 10.42147 
1 1 1   20   10  -25 o   15.860   5.1078 -44.2866  102.615 -35.1112  137.637 -55.7689  153.971   15.666   7.0900   16.053   7.3546 -0.3863392 10.21558 
1 1 1   20   11  -25 o   12.264   4.1886 -177.4429   89.360 -100.6580  131.189 -243.9046  122.052   13.753   6.4644   10.775   5.3282 2.977726 8.377229 
1 1 1   20   12  -25 o   17.848   5.7751 -97.1847  126.831 -198.7621  155.384  105.592  219.541   13.436   6.5058   22.259   9.5438 -8.823426 11.55029 
1 1 1   20   13  -25 o   23.134   6.4181  167.288  117.782  165.540  139.246  171.685  220.807   22.390   8.2174   23.877   9.8611 -1.486145 12.83617 
1 1 1   20    0  -26 o   11.377   5.6515 -167.3569  139.096 -179.2468  220.674 -159.5188  179.171   12.009   8.4177   10.745   7.5431 -0.000000 0.000000 
1 1 1   20    1  -26 o   19.412   5.4447   94.845   90.561   70.507  143.988  110.773  116.485   19.102   7.9320   19.723   7.4607 -0.6213188 10.88943 
1 1 1   20    2  -26 f   13.498   4.5598 -181.6270  100.658 -289.8074  136.901 -54.3234  148.509   11.182   5.5492   15.814   7.2369 -4.631649 9.119576 
1 1 1   20    3  -26 o   38.096   4.6926  459.551   99.750  571.924  157.800  384.766  128.732   42.178   6.4780   34.014   6.7909 8.163879 9.385147 
1 1 1   20    4  -26 o   29.462   7.1547  341.026  146.816  203.530  311.837  380.183  166.413   26.463   11.361   32.461   8.6998 -5.998709 14.30937 
1 1 1   20    5  -26 o   13.900   4.4548 -46.1684   78.650 -97.1682  111.553   4.2423  110.907   12.555   5.9195   15.246   6.6589 -2.691702 8.909575 
1 1 1   20    6  -26 o   39.561   5.0662  520.726  112.877  595.206  164.262  454.089  155.373   42.814   6.6430   36.308   7.6509 6.506107 10.13243 
1 1 1   20    7  -26 o   20.409   5.6350  107.227   96.152   60.896  126.192  171.356  148.466   17.930   7.4340   22.888   8.4704 -4.957506 11.26995 
1 1 1   20    8  -26 o   22.568   5.7882  161.774   99.156  105.890  135.901  225.389  144.996   19.925   7.9113   25.212   8.4512 -5.286219 11.57630 
1 1 1   20    9  -26 o   17.154   5.1470   38.711   87.494   69.374  136.329   17.236  114.090   18.551   7.7120   15.756   6.8186 2.794392 10.29406 
1 1 1   20   10  -26 o   19.170   5.6282   80.238  102.553   63.378  152.146   94.275  138.831   18.881   8.0160   19.459   7.9025 -0.5780487 11.25633 
1 1 1   20    0  -27 o   7.8095   5.7077 -356.8424  158.493 -356.8424  158.493   0.0000   0.0000   7.8095   5.7077   7.8095   5.7077 -0.000000 0.000000 
1 1 1   20    1  -27 o   48.150   6.0034  824.587  133.206  829.218  151.731  809.020  278.185   51.553   5.0961   44.746   10.872 6.806511 12.00677 
1 1 1   20    2  -27 o   15.771   5.4244 -101.4217  106.593 -300.5563  304.744 -73.6621  113.781   18.388   8.9513   13.154   6.1294 5.233894 10.84875 
1 1 1   20    3  -27 o   12.810   4.4935 -289.6551   97.236 -75.2105  181.407 -376.1035  115.179   16.765   7.7878   8.8543   4.4852 7.910709 8.987040 
1 1 1   20    4  -27 o   29.099   6.5535  295.895  111.997  397.587  224.557  262.223  129.215   31.109   10.517   27.088   7.8223 4.020576 13.10690 
1 1 1   21    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   21    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   23    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   24    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   25    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   26    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   27    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   28    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   29    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   30    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   31    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   32    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   33    0 o   9.4926   7.0431 -1108.7360  333.220 -1108.7360  333.220   0.0000   0.0000   9.4926   7.0431   9.4926   7.0431 -0.000000 0.000000 
1 1 1   21    0   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   21   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   23   -1 o   14.258   7.1114 -562.5250  236.633   0.0000   0.0000 -562.5250  236.633  ?   ?    14.258   7.1114      ?      ? 
1 1 1   21   24   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   25   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   26   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   27   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   28   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   29   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   30   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   31   -1 f   27.151   11.292  233.189  292.419   0.0000   0.0000  233.189  292.419  ?   ?    27.151   11.292      ?      ? 
1 1 1   21   32   -1 o   18.326   8.9013 -303.0599  296.836   0.0000   0.0000 -303.0599  296.836  ?   ?    18.326   8.9013      ?      ? 
1 1 1   21   33   -1 o   19.887   9.6481 -266.1549  346.038   0.0000   0.0000 -266.1549  346.038  ?   ?    19.887   9.6481      ?      ? 
1 1 1   21    0   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   21   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   23   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   24   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   25   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   26   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   27   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   28   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   29   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   30   -2 o   14.715   7.4306 -821.1035  301.209   0.0000   0.0000 -821.1035  301.209  ?   ?    14.715   7.4306      ?      ? 
1 1 1   21   31   -2 o   20.667   9.9441 -259.6290  349.307   0.0000   0.0000 -259.6290  349.307  ?   ?    20.667   9.9441      ?      ? 
1 1 1   21   32   -2 o   32.457   12.822  475.918  355.331   0.0000   0.0000  475.918  355.331  ?   ?    32.457   12.822      ?      ? 
1 1 1   21    0   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4   -3 o   20.444   9.6508 -318.7122  298.146   0.0000   0.0000 -318.7122  298.146  ?   ?    20.444   9.6508      ?      ? 
1 1 1   21    5   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   21   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   23   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   24   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   25   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   26   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   27   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   28   -3 o   35.010   8.8142  425.106  178.106   0.0000   0.0000  425.106  178.106  ?   ?    35.010   8.8142      ?      ? 
1 1 1   21   29   -3 o   27.083   7.7831  165.751  219.252  404.894  277.854 -228.8726  356.927   32.509   11.653   21.657   10.320 10.85254 15.56627 
1 1 1   21   30   -3 f   18.569   9.1707 -540.0992  357.802   0.0000   0.0000 -540.0992  357.802  ?   ?    18.569   9.1707      ?      ? 
1 1 1   21   31   -3 o   34.403   12.402  508.738  315.108   0.0000   0.0000  508.738  315.108  ?   ?    34.403   12.402      ?      ? 
1 1 1   21   32   -3 o   35.944   8.2627  454.110  167.676  362.843  188.218  805.106  369.108   30.890   9.5665   40.999   13.475 -10.10969 16.52531 
1 1 1   21    0   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   21   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   23   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   24   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   25   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   26   -4 o   12.887   6.4903 -622.7794  221.468   0.0000   0.0000 -622.7794  221.468  ?   ?    12.887   6.4903      ?      ? 
1 1 1   21   27   -4 o   16.966   7.8525 -98.8199  181.945   0.0000   0.0000 -98.8199  181.945  ?   ?    16.966   7.8525      ?      ? 
1 1 1   21   28   -4 o   38.524   8.9066  600.433  228.522  641.877  325.682  560.240  320.732   39.784   12.623   37.264   12.569 2.520145 17.81329 
1 1 1   21   29   -4 o   36.004   8.3661  492.733  227.795  811.043  322.305  175.032  321.997   45.125   12.113   26.883   11.543 18.24217 16.73227 
1 1 1   21   30   -4 o   33.025   8.8081  446.620  241.409  585.781  319.077  260.318  369.187   37.185   12.536   28.865   12.376 8.319971 17.61628 
1 1 1   21   31   -4 o   27.479   8.3257  173.751  240.087 -30.5759  314.150  460.672  372.268   22.453   10.366   32.505   13.031 -10.05215 16.65131 
1 1 1   21   32   -4 o   27.034   8.1526  125.585  219.775 -92.4653  267.935  573.993  384.227   19.871   9.3073   34.197   13.388 -14.32582 16.30524 
1 1 1   21    0   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   -5 o   76.821   7.1341  1735.25  316.524  1735.25  316.524   0.0000   0.0000   76.821   7.1341  ?   ?       ?      ? 
1 1 1   21    2   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   -5 o   52.712   10.411  860.181  305.708   0.0000   0.0000  860.181  305.708  ?   ?    52.712   10.411      ?      ? 
1 1 1   21    4   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   21   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   23   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   24   -5 o   17.414   8.2746 -216.0900  226.106   0.0000   0.0000 -216.0900  226.106  ?   ?    17.414   8.2746      ?      ? 
1 1 1   21   25   -5 o   15.591   5.5510 -867.8347  228.785 -1031.8199  332.025 -719.5830  315.695   14.966   7.5848   16.216   8.1072 -1.249807 11.10209 
1 1 1   21   26   -5 o   23.549   7.5244 -173.8533  246.155  223.492  329.520 -675.5355  370.264   28.717   11.968   18.382   9.1228 10.33525 15.04886 
1 1 1   21   27   -5 o   29.293   8.6840  247.987  247.355  275.355  329.463  212.632  374.470   29.635   12.120   28.951   12.440 0.6840439 17.36810 
1 1 1   21   28   -5 o   44.328   8.6464  748.833  247.971  395.793  328.425  1216.95  378.184   32.343   12.456   56.313   11.995 -23.97015 17.29286 
1 1 1   21   29   -5 o   28.923   8.0794  179.461  245.606  568.315  322.063 -360.9822  379.685   36.968   12.594   20.878   10.124 16.09023 16.15885 
1 1 1   21   30   -5 o   18.337   6.3569 -429.1536  229.473 -353.0034  318.055 -511.8300  331.404   18.821   9.1584   17.852   8.8185 0.9688549 12.71387 
1 1 1   21   31   -5 o   36.040   8.4567  571.743  215.110  669.239  275.684  419.995  343.937   40.592   11.328   31.487   12.559 9.105104 16.91346 
1 1 1   21   32   -5 o   22.488   7.3439 -12.2185  214.237 -94.2750  269.898  127.539  352.235   19.834   9.3063   25.142   11.363 -5.307884 14.68790 
1 1 1   21    0   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   -6 o   79.296   6.2620  1842.87  286.778   0.0000   0.0000  1842.87  286.778  ?   ?    79.296   6.2620      ?      ? 
1 1 1   21    4   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   21   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22   -6 o   25.177   6.8829   44.131  182.380 -461.2698  294.668  357.967  232.201   17.755   8.6777   32.599   10.686 -14.84402 13.76582 
1 1 1   21   23   -6 o   37.347   7.9234  488.402  180.668  535.312  293.650  459.830  229.178   38.356   11.961   36.338   10.395 2.018520 15.84681 
1 1 1   21   24   -6 o   24.341   9.4077  159.607  187.864   0.0000   0.0000  159.607  187.864  ?   ?    24.341   9.4077      ?      ? 
1 1 1   21   25   -6 o   34.416   12.647 -605.7793  216.705 -1399.8950  287.354  441.432  329.984  ?   ?    34.416   12.647      ?      ? 
1 1 1   21   26   -6 o   20.220   6.7969 -361.6180  216.278 -652.7188  284.453   37.258  332.972   15.368   7.6851   25.073   11.213 -9.704942 13.59388 
1 1 1   21   27   -6 o   29.990   11.546 -373.2428  215.395  310.600  282.135 -1328.7350  333.497   29.990   11.546  ?   ?       ?      ? 
1 1 1   21   28   -6 o   47.838   4.5245  719.746  124.939  703.978  173.246  736.833  180.348   47.330   6.3378   48.346   6.4590 -1.016228 9.049091 
1 1 1   21   29   -6 o   27.449   7.8702  204.905  215.449  404.672  278.872 -90.8696  339.331   32.213   11.658   22.686   10.576 9.527071 15.74046 
1 1 1   21   30   -6 o   15.287   5.5874 -524.7197  155.867 -520.7571  169.066 -547.1685  402.398   10.882   5.5032   19.693   9.7258 -8.811291 11.17485 
1 1 1   21   31   -6 o   20.650   7.0465 -214.6721  227.693 -245.3025  273.096 -144.8321  412.375   18.149   8.7475   23.152   11.050 -5.003155 14.09292 
1 1 1   21   32   -6 o   24.481   7.6202  118.613  228.466  296.034  271.920 -307.2946  421.304   27.581   11.109   21.380   10.434 6.200500 15.24041 
1 1 1   21    0   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   -7 o   74.819   6.0469  1639.94  261.293   0.0000   0.0000  1639.94  261.293  ?   ?    74.819   6.0469      ?      ? 
1 1 1   21    3   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   -7 o   43.980   10.651  607.699  267.670  607.699  267.670   0.0000   0.0000   43.980   10.651  ?   ?       ?      ? 
1 1 1   21    7   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19   -7 o   67.148   7.4437  1378.17  288.675  1378.17  288.675   0.0000   0.0000   67.148   7.4437  ?   ?       ?      ? 
1 1 1   21   20   -7 o  ?   ?  -1350.2220  206.745   0.0000   0.0000 -1350.2220  206.745  ?   ?   ?   ?       ?      ? 
1 1 1   21   21   -7 o   11.479   5.8294 -722.7653  203.022   0.0000   0.0000 -722.7653  203.022  ?   ?    11.479   5.8294      ?      ? 
1 1 1   21   22   -7 o   34.605   8.7769  398.212  175.676   0.0000   0.0000  398.212  175.676  ?   ?    34.605   8.7769      ?      ? 
1 1 1   21   23   -7 o   24.732   7.2361 -197.0542  177.344 -459.6698  209.533  466.207  332.992   13.733   6.8235   35.732   12.763 -21.99942 14.47229 
1 1 1   21   24   -7 o   43.758   13.796  774.213  389.518   0.0000   0.0000  774.213  389.518  ?   ?    43.758   13.796      ?      ? 
1 1 1   21   25   -7 o   40.101   7.4690  339.819  248.268 -344.9307  321.925  1344.76  389.994   19.592   9.4571   60.609   11.563 -41.01673 14.93798 
1 1 1   21   26   -7 o   33.425   7.8866  318.895  247.923  802.423  319.753 -409.9678  392.579   45.689   11.973   21.160   10.268 24.52890 15.77312 
1 1 1   21   27   -7 o   20.046   6.3301 -46.3394  160.069 -309.6732  267.538  100.482  199.768   17.707   8.5648   22.386   9.3233 -4.678762 12.66014 
1 1 1   21   28   -7 o   27.566   8.1052  149.493  163.874   85.347  179.228  476.494  404.664   21.145   8.8207   33.988   13.600 -12.84344 16.21032 
1 1 1   21   29   -7 o   18.739   6.4775 -237.0720  181.226 -205.4878  201.953 -367.6850  410.684   15.954   7.6460   21.524   10.458 -5.569829 12.95492 
1 1 1   21   30   -7 o   12.637   4.4340 -273.3896  109.706 -518.4186  223.526 -195.6364  125.915   13.522   6.7695   11.752   5.7283 1.769790 8.867924 
1 1 1   21   31   -7 f   43.416   8.6629  862.696  238.710  1009.23  309.141  646.302  375.675   50.571   10.905   36.262   13.463 14.30906 17.32588 
1 1 1   21    0   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   -8 o   26.447   10.736  101.448  256.114   0.0000   0.0000  101.448  256.114  ?   ?    26.447   10.736      ?      ? 
1 1 1   21    2   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   -8 o   49.919   9.6185  770.568  267.247  770.568  267.247   0.0000   0.0000   49.919   9.6185  ?   ?       ?      ? 
1 1 1   21    4   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   -8 o   48.187   9.6386  722.095  258.877   0.0000   0.0000  722.095  258.877  ?   ?    48.187   9.6386      ?      ? 
1 1 1   21    8   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   -8 o   60.873   7.2328  1099.08  254.283   0.0000   0.0000  1099.08  254.283  ?   ?    60.873   7.2328      ?      ? 
1 1 1   21   10   -8 o   27.778   10.768  166.862  246.698   0.0000   0.0000  166.862  246.698  ?   ?    27.778   10.768      ?      ? 
1 1 1   21   11   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   -8 o   10.283   5.2076 -534.8665  154.702 -534.8665  154.702   0.0000   0.0000   10.283   5.2076  ?   ?       ?      ? 
1 1 1   21   16   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   -8 o   51.312   7.1093  795.856  210.683  795.856  210.683   0.0000   0.0000   51.312   7.1093  ?   ?       ?      ? 
1 1 1   21   18   -8 o  ?   ?  -1475.2330  214.160   0.0000   0.0000 -1475.2330  214.160  ?   ?   ?   ?       ?      ? 
1 1 1   21   19   -8 o   19.011   8.3979 -27.6945  181.024   0.0000   0.0000 -27.6945  181.024  ?   ?    19.011   8.3979      ?      ? 
1 1 1   21   20   -8 o   44.503   6.2066  643.982  153.840  620.161  217.564  667.802  217.562   43.568   8.9459   45.438   8.6056 -1.869598 12.41313 
1 1 1   21   21   -8 o   24.124   9.3617  145.667  186.614   0.0000   0.0000  145.667  186.614  ?   ?    24.124   9.3617      ?      ? 
1 1 1   21   22   -8 o   19.938   6.6847 -248.5607  206.900 -128.2866  259.811 -457.0582  342.076   20.346   9.4052   19.529   9.5018 0.8169212 13.36943 
1 1 1   21   23   -8 o   33.703   7.0416  432.863  181.976  633.852  214.608 -81.4344  343.295   43.507   8.8422   23.899   10.961 19.60803 14.08319 
1 1 1   21   24   -8 o   21.655   7.1111 -117.5870  208.812 -76.3615  262.646 -188.4105  344.253   21.051   9.6302   22.260   10.466 -1.208588 14.22215 
1 1 1   21   25   -8 o   15.253   7.3114 -209.5087  184.821 -209.5087  184.821   0.0000   0.0000   15.253   7.3114  ?   ?       ?      ? 
1 1 1   21   26   -8 o   31.372   7.2440  378.342  155.905  130.530  341.769  443.461  175.196   26.771   11.691   35.973   8.5571 -9.202215 14.48793 
1 1 1   21   27   -8 o   14.166   6.9136 -283.1202  185.110 -283.1202  185.110   0.0000   0.0000   14.166   6.9136  ?   ?       ?      ? 
1 1 1   21   28   -8 o   43.024   8.9757  756.579  249.998  493.795  336.983  1078.24  372.829   34.502   12.763   51.546   12.624 -17.04381 17.95150 
1 1 1   21   29   -8 o   24.905   6.2266  200.313  107.033  247.335  185.215  176.736  131.149   26.611   9.5169   23.199   8.0318 3.411762 12.45322 
1 1 1   21   30   -8 o   25.702   7.7992  177.033  185.110  164.915  211.332  216.978  383.682   23.855   9.7259   27.549   12.195 -3.693750 15.59838 
1 1 1   21   31   -8 o   20.240   6.7323 -83.2911  195.915   14.822  227.569 -364.2215  385.079   20.334   9.1673   20.146   9.8618 0.1880646 13.46459 
1 1 1   21    0   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4   -9 o   58.646   8.3193  1025.46  281.781  1025.46  281.781   0.0000   0.0000   58.646   8.3193  ?   ?       ?      ? 
1 1 1   21    5   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   -9 o   14.062   5.8973   10.171   80.742   10.171   80.742   0.0000   0.0000   14.062   5.8973  ?   ?       ?      ? 
1 1 1   21    8   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   -9 o   25.029   10.424   64.544  249.729   0.0000   0.0000   64.544  249.729  ?   ?    25.029   10.424      ?      ? 
1 1 1   21   10   -9 o   28.624   6.6102  111.052  135.073 -51.8137  160.843  500.700  248.785   17.615   7.8417   39.633   10.644 -22.01772 13.22042 
1 1 1   21   11   -9 f   30.591   8.7099  290.798  161.282  290.798  161.282   0.0000   0.0000   30.591   8.7099  ?   ?       ?      ? 
1 1 1   21   12   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   -9 o   23.419   9.6621   70.331  211.678   70.331  211.678   0.0000   0.0000   23.419   9.6621  ?   ?       ?      ? 
1 1 1   21   14   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   -9 f   18.661   6.5257 -547.4247  219.609 -501.6493  257.590 -669.2313  420.193   16.044   7.8964   21.277   10.391 -5.233286 13.05130 
1 1 1   21   16   -9 o   15.041   7.2807 -293.4503  194.218   0.0000   0.0000 -293.4503  194.218  ?   ?    15.041   7.2807      ?      ? 
1 1 1   21   17   -9 f   19.946   6.3044 -83.9761  153.834   36.439  212.484 -216.6104  223.005   22.232   9.4568   17.660   8.3397 4.572063 12.60882 
1 1 1   21   18   -9 o   19.750   6.2043 -193.6824  167.672 -645.9482  262.241  119.060  218.070   14.879   7.4314   24.621   9.9373 -9.742044 12.40867 
1 1 1   21   19   -9 o   12.915   4.5782 -520.9974  138.657 -393.4247  210.552 -618.6891  184.251   14.599   7.1760   11.231   5.6873 3.367595 9.156438 
1 1 1   21   20   -9 o   19.476   6.4618 -189.3277  182.243 -50.0112  213.415 -564.4906  350.214   19.920   8.9379   19.031   9.3346 0.8884773 12.92367 
1 1 1   21   21   -9 o   39.396   8.2082  470.829  185.840  335.731  217.983  830.282  355.565   31.538   10.355   47.254   12.739 -15.71572 16.41631 
1 1 1   21   22   -9 o   44.697   9.1318  763.089  251.924  899.891  360.712  632.818  351.997   48.872   12.673   40.522   13.151 8.349739 18.26354 
1 1 1   21   23   -9 o   17.207   6.0047 -512.5399  211.411 -399.4610  265.297 -709.2888  349.943   16.863   8.2400   17.551   8.7366 -0.6880474 12.00938 
1 1 1   21   24   -9 o   34.274   6.8644  414.873  141.651  424.341  188.487  402.586  214.715   34.971   9.2062   33.577   10.185 1.393951 13.72882 
1 1 1   21   25   -9 o   15.940   5.4272 -280.8758  143.761 -96.2486  223.083 -412.0056  188.005   18.934   8.7393   12.946   6.4376 5.988573 10.85440 
1 1 1   21   26   -9 o   26.668   7.9961  170.943  176.932  169.338  194.388  178.696  427.208   24.361   9.5266   28.975   12.845 -4.613163 15.99221 
1 1 1   21   27   -9 o   35.752   7.7895  553.968  200.281  674.313  225.623  106.728  434.951   43.802   9.2110   27.703   12.564 16.09836 15.57904 
1 1 1   21   28   -9 o   29.009   7.2149  305.818  130.941  140.951  391.500  326.583  138.942   27.137   12.146   30.881   7.7908 -3.743992 14.42976 
1 1 1   21   29   -9 o   19.093   6.7059 -353.0667  199.897 -390.2550  223.904 -207.0099  443.730   14.689   7.2545   23.497   11.280 -8.808544 13.41182 
1 1 1   21   30   -9 o   24.087   7.6813  100.874  203.518  132.761  228.596 -21.0035  446.911   23.181   9.8326   24.993   11.804 -1.812632 15.36257 
1 1 1   21    0  -10 o  ?   ?  -1193.8770  271.039   0.0000   0.0000 -1193.8770  271.039  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   21    1  -10 o   65.092   7.3871  1256.35  277.707   0.0000   0.0000  1256.35  277.707  ?   ?    65.092   7.3871      ?      ? 
1 1 1   21    2  -10 o  ?   ?  -1117.9680  265.316   0.0000   0.0000 -1117.9680  265.316  ?   ?   ?   ?       ?      ? 
1 1 1   21    3  -10 o   40.981   11.122  532.522  269.975  532.522  269.975   0.0000   0.0000   40.981   11.122  ?   ?       ?      ? 
1 1 1   21    4  -10 o   62.715   7.6354  1169.76  276.560  1169.76  276.560   0.0000   0.0000   62.715   7.6354  ?   ?       ?      ? 
1 1 1   21    5  -10 o   57.354   8.3452  984.669  276.431  984.669  276.431   0.0000   0.0000   57.354   8.3452  ?   ?       ?      ? 
1 1 1   21    6  -10 o   18.899   8.9827 -307.9714  266.820   0.0000   0.0000 -307.9714  266.820  ?   ?    18.899   8.9827      ?      ? 
1 1 1   21    7  -10 o   15.317   7.4835 -393.5815  218.509 -393.5815  218.509   0.0000   0.0000   15.317   7.4835  ?   ?       ?      ? 
1 1 1   21    8  -10 o   17.243   8.1352 -220.1552  211.286 -220.1552  211.286   0.0000   0.0000   17.243   8.1352  ?   ?       ?      ? 
1 1 1   21    9  -10 o   18.343   6.0865 -314.9810  163.342 -504.2053  211.819 -37.3863  256.556   13.793   6.8546   22.893   10.060 -9.100094 12.17302 
1 1 1   21   10  -10 o   58.339   7.9761  1023.24  268.740  1023.24  268.740   0.0000   0.0000   58.339   7.9761  ?   ?       ?      ? 
1 1 1   21   11  -10 o   20.919   7.0316 -358.4474  213.895 -456.0994  263.787 -170.9837  365.486   16.890   8.2455   24.947   11.392 -8.056606 14.06325 
1 1 1   21   12  -10 o   38.688   5.7324 -121.9433  186.064 -661.7119  218.932  1281.88  353.071   12.830   6.4603   64.545   9.4714 -51.71523 11.46485 
1 1 1   21   13  -10 o   24.228   7.2114   30.284  182.911  181.355  214.568 -371.4051  349.879   26.895   10.137   21.561   10.259 5.333912 14.42272 
1 1 1   21   14  -10 o  ?   ?  -751.3680  195.115   0.0000   0.0000 -751.3680  195.115  ?   ?   ?   ?       ?      ? 
1 1 1   21   15  -10 o   18.432   6.2849 -315.3208  179.561 -307.0605  215.369 -334.1535  325.195   16.026   7.7354   20.837   9.9077 -4.811735 12.56975 
1 1 1   21   16  -10 o   18.552   6.2991 -345.9644  196.246 -275.3978  263.531 -433.8134  294.035   18.803   8.9343   18.301   8.8822 0.5024261 12.59820 
1 1 1   21   17  -10 o   35.770   10.103  424.163  217.914  424.163  217.914   0.0000   0.0000   35.770   10.103  ?   ?       ?      ? 
1 1 1   21   18  -10 o   35.585   7.0295  410.652  159.086  230.403  218.495  614.016  232.083   28.079   10.295   43.091   9.5741 -15.01220 14.05905 
1 1 1   21   19  -10 o   23.051   6.8012   71.075  150.386   21.826  200.498  134.419  227.385   21.020   9.0678   25.083   10.139 -4.062532 13.60233 
1 1 1   21   20  -10 o   30.858   9.5500  318.138  187.607  318.138  187.607   0.0000   0.0000   30.858   9.5500  ?   ?       ?      ? 
1 1 1   21   21  -10 o   65.137   7.6099  1462.86  276.974  1479.53  370.673  1441.80  416.766   66.808   9.6067   63.465   11.805 3.342800 15.21974 
1 1 1   21   22  -10 o   24.596   7.5026 -77.7684  166.672 -206.6627  187.844  399.280  361.378   15.555   7.4331   33.638   13.035 -18.08310 15.00526 
1 1 1   21   23  -10 o   17.228   5.7340 -156.4370  144.229 -163.8929  188.288 -145.8505  224.362   16.199   7.6538   18.256   8.5401 -2.057528 11.46795 
1 1 1   21   24  -10 o   13.935   4.9334 -498.4963  156.108 -637.5544  271.328 -429.6872  190.862   14.934   7.4738   12.936   6.4417 1.997838 9.866776 
1 1 1   21   25  -10 o   19.949   6.7276 -178.3078  192.855 -123.8291  222.816 -341.0067  385.057   18.399   8.5748   21.500   10.369 -3.101254 13.45521 
1 1 1   21   26  -10 o   43.017   9.0022  643.730  216.473  643.730  216.473   0.0000   0.0000   43.017   9.0022  ?   ?       ?      ? 
1 1 1   21   27  -10 o   28.527   7.0774  287.025  143.281  257.775  190.130  325.467  217.971   27.240   9.6530   29.814   10.353 -2.574265 14.15484 
1 1 1   21   28  -10 o   12.217   6.1298 -477.3971  188.181 -477.3971  188.181   0.0000   0.0000   12.217   6.1298  ?   ?       ?      ? 
1 1 1   21   29  -10 o   28.907   8.5983  291.393  257.774  461.629  339.803   60.631  395.625   32.465   12.623   25.349   11.678 7.115425 17.19669 
1 1 1   21   30  -10 o   28.218   6.5180  318.190  115.593   99.668  338.345  347.066  122.993   24.442   11.084   31.995   6.8619 -7.552856 13.03600 
1 1 1   21    0  -11 o   37.051   13.301  540.358  260.332   0.0000   0.0000  540.358  260.332   37.051   13.301   37.051   13.301 -0.000000 0.000000 
1 1 1   21    1  -11 o   38.155   6.1058   94.922  202.888 -540.0465  258.992  1103.59  326.425   15.908   7.8465   60.402   9.3571 -44.49438 12.21161 
1 1 1   21    2  -11 o   13.709   5.8477   0.3301   81.656   0.0000   0.0000   0.3301   81.656  ?   ?    13.709   5.8477      ?      ? 
1 1 1   21    3  -11 o   25.668   7.8364 -88.3930  227.074  183.210  324.109 -350.2393  318.235   30.594   12.195   20.742   9.8444 9.851599 15.67280 
1 1 1   21    4  -11 o   39.607   11.151  499.536  265.885  499.536  265.885   0.0000   0.0000   39.607   11.151  ?   ?       ?      ? 
1 1 1   21    5  -11 o   26.398   6.3017   21.725  168.613  434.802  216.408 -616.4581  268.986   37.104   9.9111   15.692   7.7856 21.41191 12.60339 
1 1 1   21    6  -11 o   43.567   9.0172  593.444  219.413  593.444  219.413   0.0000   0.0000   43.567   9.0172  ?   ?       ?      ? 
1 1 1   21    7  -11 o   29.794   7.8057  228.785  188.949  352.583  217.694 -149.3182  380.449   33.642   10.266   25.946   11.761 7.695553 15.61146 
1 1 1   21    8  -11 o   42.174   9.0931  559.406  214.968   0.0000   0.0000  559.406  214.968  ?   ?    42.174   9.0931      ?      ? 
1 1 1   21    9  -11 o   15.464   7.5087 -341.1661  210.784   0.0000   0.0000 -341.1661  210.784  ?   ?    15.464   7.5087      ?      ? 
1 1 1   21   10  -11 o   40.717   7.0922  515.938  166.284  394.136  219.014  681.708  255.503   35.186   10.191   46.248   9.8665 -11.06256 14.18439 
1 1 1   21   11  -11 o   21.616   6.9885 -142.3448  194.934 -128.4131  266.114 -158.4761  286.353   21.416   9.7572   21.816   10.008 -0.3999500 13.97708 
1 1 1   21   12  -11 o   27.732   8.1107   43.146  213.377 -115.1109  269.984  306.481  348.267   21.770   9.8832   33.694   12.863 -11.92397 16.22146 
1 1 1   21   13  -11 o   36.917   6.8432  440.415  147.233  440.254  219.378  440.547  198.605   36.828   10.039   37.007   9.3026 -0.1793633 13.68643 
1 1 1   21   14  -11 o   14.099   4.9263 -427.3437  143.854 -373.1115  215.351 -471.0428  193.310   15.208   7.4297   12.991   6.4710 2.216905 9.852617 
1 1 1   21   15  -11 o   29.523   8.1128  211.260  207.500  334.043  266.494   22.205  330.684   32.692   11.442   26.354   11.505 6.338245 16.22560 
1 1 1   21   16  -11 o   21.460   6.3337   47.359  133.708  113.673  180.179 -33.9179  199.473   23.105   9.1297   19.815   8.7812 3.290104 12.66735 
1 1 1   21   17  -11 o   18.128   5.9654 -184.9673  158.806 -21.7940  190.434 -557.5185  287.749   19.571   8.6311   16.684   8.2370 2.887144 11.93083 
1 1 1   21   18  -11 o   17.304   8.0090 -121.1371  189.289 -121.1371  189.289   0.0000   0.0000   17.304   8.0090  ?   ?       ?      ? 
1 1 1   21   19  -11 o   23.537   7.7808 -207.0366  263.418 -115.2613  376.273 -295.2484  368.895   24.795   11.410   22.279   10.581 2.515963 15.56151 
1 1 1   21   20  -11 o   18.828   6.5483 -551.7885  217.832 -739.4190  269.189 -195.8270  370.772   14.305   7.1983   23.352   10.941 -9.046069 13.09666 
1 1 1   21   21  -11 o   19.018   8.4823 -27.2143  189.172 -27.2143  189.172   0.0000   0.0000   19.018   8.4823  ?   ?       ?      ? 
1 1 1   21   22  -11 o   31.700   8.2980  339.138  186.867  372.355  364.759  327.318  217.589   32.725   12.971   30.676   10.352 2.048769 16.59593 
1 1 1   21   23  -11 o   37.284   9.5235  565.171  263.760  598.973  362.885  527.312  384.039   38.342   13.355   36.227   13.580 2.115059 19.04710 
1 1 1   21   24  -11 o   32.855   8.2572  395.435  175.098  410.434  190.180  311.966  448.645   34.103   9.3682   31.608   13.600 2.494215 16.51436 
1 1 1   21   25  -11 o   25.049   7.2595  141.949  184.365 -245.6017  356.160  283.809  215.482   21.528   10.273   28.570   10.260 -7.041523 14.51907 
1 1 1   21   26  -11 o   31.056   9.7727  350.335  195.538   0.0000   0.0000  350.335  195.538  ?   ?    31.056   9.7727      ?      ? 
1 1 1   21   27  -11 o   28.991   8.2718  155.302  263.903  618.857  351.685 -442.1442  399.257   37.450   13.142   20.532   10.049 16.91784 16.54363 
1 1 1   21   28  -11 o   13.657   5.0433 -405.0344  115.739 -532.3678  346.434 -389.0367  122.794   18.037   8.9293   9.2766   4.6913 8.760477 10.08663 
1 1 1   21   29  -11 o   22.796   6.5028  158.286  118.300 -107.1423  345.829  193.461  125.895   21.889   10.352   23.704   7.8733 -1.815256 13.00554 
1 1 1   21    0  -12 o  ?   ?  -1672.1790  322.043   0.0000   0.0000 -1672.1790  322.043  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   21    1  -12 o   23.615   7.1835 -109.9840  203.127  177.595  262.408 -539.9375  320.856   28.494   11.089   18.736   9.1348 9.757961 14.36701 
1 1 1   21    2  -12 o   41.466   8.2280  536.386  203.957  435.085  265.456  682.359  318.656   37.111   11.339   45.822   11.926 -8.711224 16.45607 
1 1 1   21    3  -12 o   28.983   7.5138  202.370  165.040  121.452  215.725  316.576  256.285   25.213   9.9811   32.753   11.234 -7.539810 15.02761 
1 1 1   21    4  -12 f   36.952   5.2516  288.525   95.380  720.839  220.628  189.157  105.775   49.035   7.7906   24.868   7.0443 24.16652 10.50311 
1 1 1   21    5  -12 o   18.418   6.2293 -337.3390  188.020 -400.7330  267.582 -275.5133  264.251   17.708   8.5655   19.128   9.0470 -1.420198 12.45854 
1 1 1   21    6  -12 o   29.632   5.6307  300.168   88.773  129.646  220.293  333.228   96.998   25.572   10.098   33.692   4.9848 -8.120470 11.26130 
1 1 1   21    7  -12 o   46.854   5.3309  621.748  135.082  977.351  223.011  415.670  169.769   57.285   6.7406   36.422   8.2606 20.86310 10.66173 
1 1 1   21    8  -12 o   28.069   6.6207  228.437  118.105  234.046  220.678  226.186  139.813   28.981   10.386   27.158   8.2142 1.823103 13.24140 
1 1 1   21    9  -12 o   23.256   6.8776   42.172  138.677  136.375  269.233   8.1541  161.790   27.313   11.035   19.199   8.2114 8.113779 13.75517 
1 1 1   21   10  -12 o   35.767   6.3920  370.375  128.563  563.514  222.093  273.040  157.664   41.995   9.3924   29.540   8.6725 12.45491 12.78395 
1 1 1   21   11  -12 o   25.912   6.5391  189.489  111.124  209.607  123.883  106.641  251.400   26.039   7.6997   25.786   10.571 0.2524815 13.07818 
1 1 1   21   12  -12 o   41.129   6.0830  536.787  136.672  537.086  220.898  536.601  173.967   40.753   9.5518   41.505   7.5350 -0.7520332 12.16603 
1 1 1   21   13  -12 o   12.431   4.3534 -332.1393  104.870 -403.2826  132.424 -212.4734  171.746   9.9841   5.0270   14.878   7.1090 -4.893785 8.706820 
1 1 1   21   14  -12 o   14.540   5.0140 -313.6456  134.793 -423.3719  218.999 -246.7247  171.028   14.800   7.2834   14.280   6.8930 0.5195293 10.02803 
1 1 1   21   15  -12 o   17.090   5.6221 -247.6441  133.703   25.083  217.713 -412.7841  169.413   22.035   9.4773   12.145   6.0509 9.890139 11.24422 
1 1 1   21   16  -12 o   44.453   6.4917  646.471  161.194  565.475  223.897  733.630  232.259   41.277   9.5771   47.629   8.7664 -6.352276 12.98345 
1 1 1   21   17  -12 o   20.625   6.2423   22.951  117.262  -3.0825  136.132   97.815  230.850   17.079   7.4196   24.170   10.041 -7.090998 12.48462 
1 1 1   21   18  -12 o   21.379   6.5198  -8.0544  159.926  144.226  191.948 -353.7155  289.192   24.164   9.4620   18.594   8.9722 5.570282 13.03951 
1 1 1   21   19  -12 o   15.656   7.5226 -242.4742  198.271   0.0000   0.0000 -242.4742  198.271  ?   ?    15.656   7.5226      ?      ? 
1 1 1   21   20  -12 o   30.613   8.1239  279.777  162.643  259.776  179.648  370.676  382.982   28.040   9.4069   33.185   13.248 -5.144215 16.24780 
1 1 1   21   21  -12 o   18.794   6.5993 -513.5043  168.872 -641.8310  187.855   26.941  385.513   11.137   5.6507   26.451   11.928 -15.31382 13.19855 
1 1 1   21   22  -12 o   33.748   9.1574  410.361  266.558  610.590  360.603  169.150  395.790   38.752   13.324   28.745   12.566 10.00691 18.31486 
1 1 1   21   23  -12 o   29.618   8.8069  167.615  268.424 -109.6080  357.210  527.204  406.830   23.389   10.886   35.847   13.847 -12.45806 17.61390 
1 1 1   21   24  -12 o   38.685   7.4481  436.756  127.172  767.317  354.481  387.926  136.241   43.008   13.095   34.362   7.0999 8.645916 14.89614 
1 1 1   21   25  -12 o   25.959   7.5496  103.901  133.270  446.368  354.054   47.369  143.850   33.346   12.908   18.572   7.8344 14.77400 15.09911 
1 1 1   21   26  -12 f   21.225   6.8147   7.0043  165.278 -181.1612  355.831   58.768  186.632   21.931   10.409   20.518   8.7984 1.413858 13.62949 
1 1 1   21   27  -12 o   16.103   5.5455 -121.1254  116.413 -536.4517  350.603 -69.6632  123.414   18.190   9.0011   14.016   6.4800 4.174543 11.09103 
1 1 1   21   28  -12 o   25.138   7.3791   90.922  121.658  497.021  347.661   34.255  129.869   33.081   12.794   17.196   7.3557 15.88476 14.75819 
1 1 1   21   29  -12 o   19.051   6.3806 -50.3093  133.928 -24.2335  346.080 -54.9022  145.245   22.672   10.606   15.430   7.0965 7.241565 12.76116 
1 1 1   21    0  -13 o   18.486   6.8917  142.439   82.196  160.828   84.940 -128.3941  325.973   20.087   7.7308   16.885   11.411 -0.000000 0.000000 
1 1 1   21    1  -13 o   14.571   4.4865 -18.1673   71.724 -55.3958  105.613   13.700   97.712   13.700   6.2045   15.441   6.4822 -1.740599 8.973042 
1 1 1   21    2  -13 o   10.877   5.0834 -75.1819   79.168   0.0000   0.0000 -75.1819   79.168  ?   ?    10.877   5.0834      ?      ? 
1 1 1   21    3  -13 o   31.396   5.9042  281.659   87.760  340.474  217.496  270.221   95.915   33.027   10.293   29.765   5.7878 3.261168 11.80850 
1 1 1   21    4  -13 o   12.256   3.9833 -97.2727   63.498  -1.6337  104.429 -153.3743   79.982   15.332   6.5783   9.1790   4.4936 6.153222 7.966545 
1 1 1   21    5  -13 o   15.929   4.9927 -33.9443   70.307 -49.8448   77.593   38.999  166.192   11.478   5.2444   20.381   8.4973 -8.902946 9.985377 
1 1 1   21    6  -13 o   14.333   7.0715 -472.7409   98.256 -482.2118  111.048 -438.5900  210.870  ?   ?    14.333   7.0715      ?      ? 
1 1 1   21    7  -13 o   39.221   4.7728  457.196  102.890  427.076  129.895  507.920  168.564   37.943   5.9276   40.500   7.4821 -2.557072 9.545571 
1 1 1   21    8  -13 o   40.007   8.1361  502.215  181.592   0.0000   0.0000  502.215  181.592  ?   ?    40.007   8.1361      ?      ? 
1 1 1   21    9  -13 o   25.376   5.3242  217.981   89.056  279.951  102.341   24.699  180.741   30.164   6.0846   20.589   8.7388 9.574492 10.64837 
1 1 1   21   10  -13 o   12.249   4.0898 -116.2183   75.398 -100.2226  111.545 -129.6746  102.309   12.942   6.0434   11.556   5.5119 1.386247 8.179502 
1 1 1   21   11  -13 o   22.822   4.8753  139.827   66.269  224.198  120.081  102.878   79.466   26.748   7.4807   18.897   6.2542 7.851168 9.750697 
1 1 1   21   12  -13 o   9.5941   3.4880 -250.0784   66.130 -208.0939   71.375 -504.6220  175.745   7.4965   3.7632   11.692   5.8740 -4.195236 6.976080 
1 1 1   21   13  -13 o   21.289   4.4879  139.491   59.408  150.521   79.592  125.616   89.270   22.038   6.0632   20.539   6.6185 1.499109 8.975852 
1 1 1   21   14  -13 o   9.4890   3.2864 -147.8681   57.518 -143.4556   72.479 -155.3739   94.530   8.6186   4.2312   10.359   5.0297 -1.740793 6.572754 
1 1 1   21   15  -13 o   14.506   4.8172 -64.2365   82.101 -342.5241  220.842 -19.6062   88.440   15.688   7.6331   13.323   5.8785 2.364306 9.634373 
1 1 1   21   16  -13 o   13.682   4.8946 -208.8552   63.272 -32.6585  220.237 -224.7061   66.057   20.583   9.1683   6.7818   3.4310 13.80082 9.789256 
1 1 1   21   17  -13 o   10.185   3.5992 -324.3289   87.874 -269.2506  120.982 -385.8351  127.847   10.593   5.2499   9.7776   4.9251 0.8154154 7.198483 
1 1 1   21   18  -13 f   25.560   5.5784  186.279   84.200  146.280   99.492  287.234  158.061   21.737   6.9853   29.383   8.6993 -7.646280 11.15674 
1 1 1   21   19  -13 o   13.176   4.4633 -143.1843   82.850 -165.2730   97.587 -86.1643  156.790   10.353   5.0454   16.000   7.3638 -5.646836 8.926516 
1 1 1   21   20  -13 f   16.819   4.9570   31.286   79.962   5.9483  107.649   62.475  119.435   15.432   6.6508   18.207   7.3522 -2.775311 9.913980 
1 1 1   21   21  -13 o   26.318   4.7326  209.901   64.573  257.272  130.793  194.633   74.254   27.774   7.8212   24.863   5.3311 2.911016 9.465298 
1 1 1   21   22  -13 o   21.715   5.0494  149.865   73.356  124.704  116.923  166.198   94.202   20.742   7.5424   22.688   6.7156 -1.946680 10.09889 
1 1 1   21   23  -13 o   12.425   4.2316 -171.8031   90.540 -130.0253  125.256 -217.5181  131.025   12.976   6.1637   11.873   5.7996 1.102532 8.463200 
1 1 1   21   24  -13 o   10.761   3.7788 -297.6002   91.147 -200.8078  125.298 -406.3853  132.833   11.717   5.7119   9.8047   4.9489 1.912743 7.557619 
1 1 1   21   25  -13 o   15.957   4.8204   8.1311   77.373   68.690  125.403 -29.0933   98.318   18.436   7.5015   13.478   6.0557 4.957865 9.640772 
1 1 1   21   26  -13 o  ?   ?  -982.1913  202.064 -1003.9750  292.526 -962.3125  279.446  ?   ?   ?   ?       ?      ? 
1 1 1   21   27  -13 o   12.540   4.2636 -164.8086   88.247 -81.9601  136.223 -224.7181  115.839   14.461   6.7280   10.618   5.2392 3.843039 8.527298 
1 1 1   21   28  -13 o   22.522   5.4549  161.780   85.233  231.368  134.788  115.414  110.023   25.483   8.1243   19.562   7.2814 5.920706 10.90980 
1 1 1   21    0  -14 o   25.310   7.2155  172.346   92.582  102.472  102.766  473.386  213.306   15.521   8.3298   35.100   11.784 -0.000000 0.000000 
1 1 1   21    1  -14 o   25.595   4.6358  199.634   70.084  263.859  102.700  143.658   95.878   29.263   6.2656   21.926   6.8339 7.336605 9.271522 
1 1 1   21    2  -14 o   13.728   4.9393 -471.2251  124.459 -381.8622  264.896 -496.5404  140.990   17.702   8.5528   9.7538   4.9432 7.948199 9.878539 
1 1 1   21    3  -14 o   11.635   3.9927 -169.1005   77.830 -154.4843   95.132 -198.6851  135.346   10.483   5.0794   12.787   6.1618 -2.303960 7.985476 
1 1 1   21    4  -14 o   17.547   5.5051 -26.6478   67.183 -39.1550   70.758   87.825  214.066   11.174   5.0678   23.920   9.7746 -12.74601 11.01025 
1 1 1   21    5  -14 o   27.259   6.2319  164.416   69.675  151.574   72.529  318.013  250.835   22.200   5.6443   32.319   11.112 -10.11901 12.46372 
1 1 1   21    6  -14 o   15.389   4.7987 -26.1809   66.477 -41.1425   74.111   35.423  150.382   11.418   5.1815   19.360   8.0784 -7.942261 9.597326 
1 1 1   21    7  -14 o   23.198   6.2453   30.035   72.217   1.9069   75.361  346.121  252.630   13.177   5.6192   33.218   11.155 -20.04041 12.49053 
1 1 1   21    8  -14 o   32.132   4.9865  283.756   64.913  271.712   69.413  367.711  183.268   30.456   3.9462   33.807   9.1590 -3.350430 9.972963 
1 1 1   21    9  -14 o   12.307   4.0407 -98.1113   71.434 -173.7038  104.409 -31.5866   97.947   10.867   5.2784   13.746   6.1193 -2.879473 8.081323 
1 1 1   21   10  -14 o   10.053   3.5003 -222.4868   73.442 -357.4109  119.127 -139.7661   93.277   9.5292   4.7941   10.577   5.1015 -1.047523 7.000654 
1 1 1   21   11  -14 o   24.629   4.3287  189.008   61.621  217.635   87.824  161.251   86.482   26.472   5.8956   22.786   6.3398 3.685905 8.657432 
1 1 1   21   12  -14 o   20.129   4.6563  115.096   60.842   98.008   76.757  143.981   99.796   18.425   6.1490   21.832   6.9939 -3.407419 9.312613 
1 1 1   21   13  -14 o   17.246   5.8813 -44.5898   67.795 -64.5824  308.390 -43.5746   69.495   23.655   10.667   10.838   4.9563 12.81712 11.76260 
1 1 1   21   14  -14 o   24.047   5.8263  171.973   88.408  179.727  100.116  144.516  188.392   23.884   6.8821   24.211   9.4032 -0.3273239 11.65259 
1 1 1   21   15  -14 o   31.339   6.7389  206.956   81.479  541.232  296.665  179.683   84.738   38.809   12.009   23.869   6.1184 14.93986 13.47770 
1 1 1   21   16  -14 f   18.324   6.0968 -117.1914  133.616 -134.9282  291.241 -112.4630  150.375   21.505   9.9467   15.144   7.0532 6.361166 12.19364 
1 1 1   21   17  -14 o   10.854   3.6342 -98.5754   61.452 -144.0877   91.777 -61.5877   82.737   10.276   4.9816   11.432   5.2926 -1.156090 7.268354 
1 1 1   21   18  -14 o   15.160   5.2203 -81.6653   83.891 -341.0984  285.293 -57.1096   87.772   18.351   8.8686   11.970   5.5093 6.380959 10.44052 
1 1 1   21   19  -14 o   29.609   4.2484  248.814   60.162  228.241   67.612  327.040  131.841   27.659   4.2325   31.558   7.3676 -3.898125 8.496794 
1 1 1   21   20  -14 o   32.164   3.9779  318.464   71.716  263.193   96.995  385.119  106.516   28.727   6.0380   35.601   5.1804 -6.874289 7.955739 
1 1 1   21   21  -14 o   28.895   4.3046  250.203   71.835   0.0000   0.0000  250.203   71.835  ?   ?    28.895   4.3046      ?      ? 
1 1 1   21   22  -14 o   11.354   5.1616 -36.5933   73.955   0.0000   0.0000 -36.5933   73.955  ?   ?    11.354   5.1616      ?      ? 
1 1 1   21   23  -14 o   18.205   4.0937  103.313   48.297   91.323   75.866  111.483   62.627   17.621   6.1084   18.788   5.4516 -1.167088 8.187314 
1 1 1   21   24  -14 o   19.638   4.7428  113.024   67.052   63.483   93.168  166.255   96.576   16.752   6.5823   22.523   6.8302 -5.770670 9.485692 
1 1 1   21   25  -14 o   14.316   5.1876 -186.5791   81.968 -185.8002   85.347 -195.8376  294.243   8.9183   4.4180   19.713   9.3875 -10.79443 10.37519 
1 1 1   21   26  -14 o   24.305   6.0858  209.184  106.458   57.466  238.383  246.980  118.982   21.828   9.6400   26.781   7.4310 -4.953098 12.17162 
1 1 1   21   27  -14 o   34.679   6.3985  399.581   83.829  390.799   87.331  502.543  299.025   35.838   4.2193   33.521   12.081 2.317001 12.79694 
1 1 1   21    0  -15 o   22.348   6.5605  199.192   93.030  305.561  138.530  111.818  125.553   28.328   9.4893   16.369   9.0618 -0.000000 0.000000 
1 1 1   21    1  -15 o   16.385   4.4824   52.641   61.237   24.509   90.780   76.131   82.953   15.333   6.3269   17.438   6.3512 -2.105434 8.964738 
1 1 1   21    2  -15 o   13.372   4.8382 -309.8008   93.124 -312.0700  100.177 -295.3670  252.649   8.6442   4.3549   18.099   8.6410 -9.454795 9.676329 
1 1 1   21    3  -15 o   21.164   5.5540   65.678   61.931   46.237   65.617  224.263  187.406   14.689   5.5891   27.640   9.5994 -12.95134 11.10795 
1 1 1   21    4  -15 o  ?   ?  -404.2903   73.819 -369.2383   97.078 -452.3447  113.666  ?   ?   ?   ?       ?      ? 
1 1 1   21    5  -15 o   14.973   4.7392 -47.1161   85.285 -97.5890  129.223  -8.1649  113.520   14.288   6.6147   15.658   6.7887 -1.369438 9.478431 
1 1 1   21    6  -15 o   13.141   4.3239 -146.6656   70.685   16.023  134.235 -209.0841   83.147   17.752   7.5325   8.5294   4.2479 9.222156 8.647759 
1 1 1   21    7  -15 o   13.833   4.4060 -64.2893   78.511   11.760   97.416 -205.2347  132.620   15.235   6.4381   12.430   6.0168 2.804793 8.811922 
1 1 1   21    8  -15 o   12.271   3.9093 -36.8256   57.505 -40.8234   75.122 -31.1679   89.368   11.489   5.2149   13.053   5.8253 -1.563450 7.818521 
1 1 1   21    9  -15 o   20.497   6.5171  125.976   86.777  125.976   86.777   0.0000   0.0000   20.497   6.5171  ?   ?       ?      ? 
1 1 1   21   10  -15 o   17.314   4.2784   65.050   57.046  139.060   84.930   4.2150   77.000   21.279   6.3944   13.349   5.6858 7.930264 8.556731 
1 1 1   21   11  -15 o   40.813   5.0799  519.797  116.258  529.687  156.648  507.671  173.463   41.747   6.4971   39.880   7.8108 1.867165 10.15974 
1 1 1   21   12  -15 o   12.658   4.3938 -188.0820   84.915 -194.2726  176.946 -186.2298   96.788   15.328   7.2941   9.9883   4.9008 5.340013 8.787607 
1 1 1   21   13  -15 o   25.646   4.2390  214.597   66.183  302.201   88.556  103.760   99.609   31.835   4.8164   19.457   6.9770 12.37840 8.478044 
1 1 1   21   14  -15 o   17.928   4.5346   75.982   65.468  -5.2294   97.720  142.118   88.184   14.475   6.2872   21.381   6.5360 -6.905547 9.069131 
1 1 1   21   15  -15 o   16.283   4.5361   50.127   63.246   26.876   87.521   75.539   91.499   15.003   6.2033   17.562   6.6198 -2.558749 9.072114 
1 1 1   21   16  -15 o   11.173   3.7335 -93.2430   62.933 -99.7428   84.733 -85.2462   93.985   10.606   5.0471   11.740   5.5031 -1.133786 7.467084 
1 1 1   21   17  -15 o   9.7695   3.2323 -62.1462   45.576 -39.8739   66.455 -81.9244   62.624   10.595   4.8460   8.9437   4.2788 1.651559 6.464632 
1 1 1   21   18  -15 o   7.9650   2.8140 -188.4795   52.238 -166.6382   67.325 -221.5209   82.807   7.6755   3.8226   8.2544   4.1306 -0.5788803 5.628020 
1 1 1   21   19  -15 o   12.250   4.5707 -178.4895   64.691 -161.7992   66.353 -499.1766  290.850   7.6558   3.8099   16.845   8.3097 -9.188904 9.141438 
1 1 1   21   20  -15 o   17.628   4.0908   94.373   46.364  100.597   55.505   80.006   84.334   17.937   5.1104   17.320   6.3891 0.6177807 8.181538 
1 1 1   21   21  -15 o   16.147   5.2418   22.405   60.280   37.075   61.604 -308.0424  292.380   13.616   5.3516   18.678   9.0148 -5.061983 10.48365 
1 1 1   21   22  -15 o   14.030   4.4736 -18.6506   65.768 -13.0297   74.847 -37.6936  137.765   12.255   5.4075   15.804   7.1282 -3.549031 8.947161 
1 1 1   21   23  -15 o   9.1671   3.2119 -198.1259   63.970 -185.1687   89.088 -211.9177   91.913   9.2522   4.5707   9.0820   4.5138 0.1701994 6.423815 
1 1 1   21   24  -15 o   13.530   4.9246 -417.0202  126.807 -690.6057  338.691 -372.4172  136.754   16.745   8.3757   10.314   5.1820 6.431021 9.849148 
1 1 1   21   25  -15 o   16.235   5.4810 -44.2499   90.221 -206.7825  290.137 -26.8512   94.927   19.255   9.2113   13.215   5.9428 6.039626 10.96199 
1 1 1   21   26  -15 o   10.974   3.8629 -295.1518   95.488 -304.9600  144.482 -287.5452  127.237   11.403   5.6661   10.544   5.2519 0.8592520 7.725732 
1 1 1   21    0  -16 o  ?   ?  -690.7848  109.228 -690.7848  109.228   0.0000   0.0000  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   21    1  -16 o   37.837   3.4120  389.131   70.754  321.696   85.170  539.314  127.103   33.040   4.4634   42.635   5.1618 -9.595284 6.823956 
1 1 1   21    2  -16 o   17.056   4.9280   39.524   76.960 -31.4548  134.919   73.757   93.699   16.323   7.2283   17.788   6.7002 -1.465498 9.855947 
1 1 1   21    3  -16 o   12.198   4.0638 -104.9732   72.863 -104.9780   95.393 -104.9664  112.888   11.500   5.4378   12.896   6.0406 -1.396394 8.127655 
1 1 1   21    4  -16 o   13.206   4.5385 -250.9956  103.356 -150.6670  165.796 -314.7684  132.184   15.535   7.2906   10.878   5.4074 4.656881 9.077050 
1 1 1   21    5  -16 o   18.794   5.2796   54.494   77.901  113.486  149.110   32.349   91.360   21.938   8.4068   15.650   6.3893 6.288798 10.55921 
1 1 1   21    6  -16 o   13.780   4.6377 -166.8654   99.932 -136.6208  151.587 -190.1127  132.900   14.891   6.9829   12.668   6.1051 2.222373 9.275459 
1 1 1   21    7  -16 o   24.849   4.8379  186.674   64.790  181.188   74.618  203.483  130.609   24.173   5.4722   25.525   7.9797 -1.352663 9.675729 
1 1 1   21    8  -16 o   19.630   5.4864   70.105   70.885  114.401  180.825   62.062   77.053   23.038   9.1325   16.222   6.0826 6.816557 10.97272 
1 1 1   21    9  -16 o   14.507   4.5577 -22.1811   72.772 -12.1330   88.750 -42.7993  127.132   13.613   5.9509   15.400   6.9050 -1.787150 9.115482 
1 1 1   21   10  -16 o   11.999   4.3780 -301.3651   78.998 -234.8549  210.681 -312.2461   85.215   16.539   7.8947   7.4595   3.7870 9.079503 8.755964 
1 1 1   21   11  -16 o   17.447   5.5683 -65.1928  121.188   3.9366  156.304 -169.3819  191.889   18.365   7.9641   16.529   7.7845 1.835312 11.13665 
1 1 1   21   12  -16 o   25.267   5.8333  222.322   82.209 -188.2594  328.638  249.730   84.909   22.151   10.354   28.383   5.3765 -6.231987 11.66656 
1 1 1   21   13  -16 o   21.425   5.1176  141.958   81.262  197.387   95.606  -2.3217  154.246   24.862   6.5623   17.987   7.8546 6.874073 10.23514 
1 1 1   21   14  -16 o   17.468   5.5542   7.5942   59.680   4.0584   61.689   59.238  235.764   11.949   5.0894   22.986   9.8738 -11.03708 11.10830 
1 1 1   21   15  -16 f   10.918   3.8200 -225.3229   78.641 -247.1822   96.702 -182.6359  135.134   9.0498   4.5189   12.786   6.1602 -3.735718 7.639919 
1 1 1   21   16  -16 o   14.076   4.2431   8.8503   60.902 -21.0183   95.757   29.139   78.920   13.695   6.0758   14.458   5.9246 -0.7628899 8.486230 
1 1 1   21   17  -16 o   10.968   3.5901 -55.0213   51.871 -65.4206   65.809 -37.9621   84.287   9.7080   4.5679   12.228   5.5397 -2.519734 7.180154 
1 1 1   21   18  -16 o   10.684   3.6264 -126.1060   65.175 -163.8625   91.852 -87.8203   92.493   9.8736   4.8297   11.495   5.4108 -1.621525 7.252808 
1 1 1   21   19  -16 o   17.685   3.9189   97.409   45.224  115.282   59.003   71.958   70.410   19.124   5.2035   16.246   5.8613 2.878260 7.837828 
1 1 1   21   20  -16 o   23.687   5.1391  130.504   59.905  101.314   64.938  297.195  155.180   18.064   5.6233   29.311   8.6036 -11.24681 10.27825 
1 1 1   21   21  -16 o   11.813   3.7398 -36.1109   54.630   11.437   75.887 -87.2552   78.705   13.332   5.6607   10.295   4.8888 3.037326 7.479564 
1 1 1   21   22  -16 o   14.066   4.2124 -31.1823   60.729 -94.2532   75.084   88.124  103.268   9.7808   4.6809   18.351   7.0047 -8.570497 8.424774 
1 1 1   21   23  -16 o   14.733   5.1899 -70.4213   70.197 -261.7276  298.180 -59.1968   72.227   19.042   9.1685   10.424   4.8661 8.617870 10.37984 
1 1 1   21   24  -16 o   18.435   4.9863   73.575   73.830   25.697   92.796  156.160  121.873   14.942   6.2973   21.928   7.7329 -6.985221 9.972620 
1 1 1   21   25  -16 o   24.502   4.7350  241.559   71.303  281.981   76.855  -8.2674  191.063   30.386   4.3794   18.619   8.3965 11.76626 9.470028 
1 1 1   21    0  -17 o   7.5733   5.5374 -361.8120  150.171 -361.8120  150.171   0.0000   0.0000   7.5733   5.5374   7.5733   5.5374 -0.000000 0.000000 
1 1 1   21    1  -17 o   10.041   5.0422 -430.0151   90.938 -491.3349  128.514 -368.5181  128.699  ?   ?    10.041   5.0422      ?      ? 
1 1 1   21    2  -17 o   15.108   4.5251   3.9241   65.713   46.581  111.326 -18.8867   81.409   17.428   7.0769   12.788   5.6411 4.640416 9.050172 
1 1 1   21    3  -17 o   29.618   5.1301  280.169   86.614  272.632  131.359  285.967  115.206   29.152   7.6907   30.084   6.7916 -0.9313488 10.26029 
1 1 1   21    4  -17 o   25.712   4.2667  216.614   67.083   99.017  102.393  305.046   88.792   19.383   7.0567   32.042   4.7982 -12.65894 8.533436 
1 1 1   21    5  -17 o   17.365   5.2422   17.842   90.894 -60.6365  163.722   52.806  109.282   17.187   7.7597   17.542   7.0506 -0.3548126 10.48443 
1 1 1   21    6  -17 o   11.359   3.8768 -145.9489   71.665 -128.4503  119.397 -155.8036   89.601   12.803   6.0630   9.9157   4.8329 2.887486 7.753513 
1 1 1   21    7  -17 o   33.669   4.6778  396.233   83.944  223.516  138.922  495.565  105.353   26.465   8.2225   40.873   4.4630 -14.40833 9.355640 
1 1 1   21    8  -17 o   26.030   5.3865  203.598   86.927  298.710  137.217  139.840  112.346   30.323   7.7929   21.736   7.4383 8.586617 10.77301 
1 1 1   21    9  -17 o   34.065   3.8036  357.308   72.200  395.521   99.151  314.173  105.342   36.417   4.7142   31.713   5.9705 4.704023 7.607272 
1 1 1   21   10  -17 f   28.373   5.4474  260.901   89.292  262.698  148.817  259.890  111.617   28.286   8.4564   28.459   6.8692 -0.1724396 10.89480 
1 1 1   21   11  -17 o   16.688   5.2935 -53.5771  105.773 -104.5131  140.761   12.490  160.311   14.678   6.8324   18.698   8.0872 -4.020032 10.58697 
1 1 1   21   12  -17 o   11.155   3.9644 -259.4604   84.296 -342.5597  176.495 -234.9023   95.947   13.151   6.4849   9.1592   4.5619 3.991958 7.928709 
1 1 1   21   13  -17 o   26.996   4.2701  219.866   64.477  162.427   82.429  310.411  103.492   22.591   6.1517   31.401   5.9238 -8.809645 8.540219 
1 1 1   21   14  -17 o   29.169   3.1742  254.924   52.823  255.962   69.658  253.518   81.031   29.322   4.1134   29.016   4.8355 0.3062210 6.348342 
1 1 1   21   15  -17 o   28.247   6.2887  208.569   66.085  201.205   67.985  334.810  281.480   25.474   4.7969   31.019   11.627 -5.544922 12.57738 
1 1 1   21   16  -17 o   10.294   3.7173 -251.5289   66.694 -267.1733   74.464 -188.0828  149.958   7.0105   3.5571   13.577   6.5285 -6.566986 7.434660 
1 1 1   21   17  -17 o   18.437   5.1576   67.247   78.059   42.511   96.157  115.051  133.675   16.074   6.5579   20.799   7.9623 -4.724472 10.31518 
1 1 1   21   18  -17 o   31.695   7.6343  205.882  105.897  710.715  363.495  159.061  110.699   41.059   13.366   22.330   7.3813 18.72888 15.26866 
1 1 1   21   19  -17 o   20.907   6.1223   89.318   66.887   89.755   68.676   81.246  294.912   17.314   5.8162   24.500   10.775 -7.186346 12.24470 
1 1 1   21   20  -17 o   16.444   3.9536   72.331   51.547  129.407   66.496 -13.6158   81.598   20.125   5.5440   12.763   5.6382 7.361975 7.907271 
1 1 1   21   21  -17 o   18.545   4.1322  105.967   52.713   52.210   77.375  152.524   72.007   15.351   6.0084   21.739   5.6745 -6.388021 8.264448 
1 1 1   21   22  -17 o   35.244   5.5221  453.495   79.609  368.678  219.098  466.396   85.449   31.018   10.389   39.470   3.7485 -8.451941 11.04425 
1 1 1   21   23  -17 o   33.744   3.1689  344.922   61.534  385.451   91.338  311.239   83.267   35.560   4.4473   31.928   4.5155 3.632103 6.337881 
1 1 1   21   24  -17 o   13.078   4.1335 -18.0013   63.595   19.361   75.633 -108.1631  117.491   13.498   5.6866   12.659   6.0005 0.8384590 8.266994 
1 1 1   21    0  -18 o   31.872   8.0380  314.091  130.291  696.448  266.565  194.073  149.346   43.122   12.347   20.623   10.295 -0.000000 0.000000 
1 1 1   21    1  -18 o   18.258   5.5753   11.169  105.904   50.445  129.721 -67.3237  183.384   18.476   7.5864   18.039   8.1720 0.4376221 11.15051 
1 1 1   21    2  -18 o   24.540   7.6073  190.099  118.987   0.0000   0.0000  190.099  118.987  ?   ?    24.540   7.6073      ?      ? 
1 1 1   21    3  -18 o   40.653   4.0716  469.067   88.998  420.481  105.727  587.203  164.862   37.525   4.8785   43.781   6.5201 -6.256050 8.143140 
1 1 1   21    4  -18 o   15.903   4.9748 -20.1534   88.990 -231.5529  186.756   41.946  101.220   15.250   7.3203   16.557   6.7385 -1.306966 9.949580 
1 1 1   21    5  -18 o   17.517   4.5631   52.367   72.567 -94.8948  115.627  148.061   93.209   13.219   6.1662   21.816   6.7281 -8.596954 9.126282 
1 1 1   21    6  -18 o   14.757   4.8118 -52.4464   83.301 -162.9551  179.293 -22.0247   94.071   15.896   7.4979   13.618   6.0328 2.278020 9.623593 
1 1 1   21    7  -18 o   30.580   5.6570  308.605  101.097  324.973  137.868  289.567  148.691   31.561   7.6446   29.599   8.3406 1.961500 11.31394 
1 1 1   21    8  -18 o   17.787   5.7792 -93.3284  133.516 -73.1286  207.520 -107.5963  174.408   18.973   8.6331   16.602   7.6856 2.370125 11.55849 
1 1 1   21    9  -18 o   25.720   4.7903  215.359   70.529  195.671  119.092  225.994   87.529   24.676   7.6043   26.764   5.8278 -2.087196 9.580628 
1 1 1   21   10  -18 o   21.024   5.6819  103.782  105.985  187.819  124.788 -113.7558  200.774   24.257   7.8260   17.791   8.2395 6.465324 11.36382 
1 1 1   21   11  -18 o   25.860   8.6403  216.710  151.554   0.0000   0.0000  216.710  151.554  ?   ?    25.860   8.6403      ?      ? 
1 1 1   21   12  -18 o   22.910   5.2026  147.941   83.905  262.890  126.172   56.805  112.345   28.199   7.5827   17.621   7.1253 10.57829 10.40517 
1 1 1   21   13  -18 o   17.369   4.9804   41.566   83.589 -69.1678  136.392  108.175  105.783   15.082   6.9142   19.656   7.1701 -4.574722 9.960778 
1 1 1   21   14  -18 o   16.695   4.8810   38.518   77.016   59.942  109.602   17.620  108.245   17.559   7.0596   15.832   6.7423 1.727120 9.762032 
1 1 1   21   15  -18 o   10.531   5.2961 -429.4487   87.332 -409.1042  144.672 -441.1127  109.543   10.531   5.2961  ?   ?       ?      ? 
1 1 1   21   16  -18 o   24.034   5.2446  192.813   77.175  152.947  147.628  207.805   90.531   22.724   8.4392   25.344   6.2291 -2.620358 10.48914 
1 1 1   21   17  -18 o   23.098   5.2171  157.174   75.617  237.553  131.732  117.673   92.347   26.526   7.9620   19.669   6.7438 6.857143 10.43420 
1 1 1   21   18  -18 o   29.236   3.7683  284.816   58.303  205.698   94.615  333.249   74.027   25.055   6.4874   33.417   3.8357 -8.361351 7.536512 
1 1 1   21   19  -18 o   13.972   4.2752 -45.0649   68.246 -132.8746   90.195   72.532  104.378   10.259   4.9650   17.684   6.9611 -7.424739 8.550330 
1 1 1   21   20  -18 o   11.996   3.9271 -60.7987   64.493 -71.0600   92.142 -50.9438   90.299   11.793   5.5023   12.198   5.6046 -0.4047117 7.854145 
1 1 1   21   21  -18 o   15.698   4.2950   54.007   60.797 -126.7208  132.504  102.200   68.425   13.357   6.3430   18.039   5.7925 -4.682186 8.589928 
1 1 1   21   22  -18 o   23.610   6.9566  105.910  160.391 -29.1914  207.299  307.415  253.169   18.901   8.6115   28.319   10.928 -9.417795 13.91312 
1 1 1   21   23  -18 o   19.535   5.1820  112.197   74.673  110.631   88.955  115.935  137.406   18.809   6.6090   20.262   7.9833 -1.452183 10.36400 
1 1 1   21    0  -19 o   12.741   5.8265   7.0485  101.120   28.970  137.395 -18.8584  149.365   13.167   8.3482   12.315   8.1301 -0.000000 0.000000 
1 1 1   21    1  -19 o   24.373   5.1851  165.993   82.071  298.214  132.458   83.604  104.559   30.202   7.5999   18.544   7.0556 11.65737 10.37016 
1 1 1   21    2  -19 o   20.552   5.7502   81.554  101.113   34.357  131.853  148.933  157.542   17.904   7.5238   23.199   8.6977 -5.295351 11.50039 
1 1 1   21    3  -19 o   16.743   5.1403 -32.4989   97.449   74.846  140.322 -132.4961  135.435   19.738   7.9696   13.748   6.4944 5.990067 10.28066 
1 1 1   21    4  -19 o   10.591   3.7308 -305.8685   90.087 -315.5073  122.586 -294.5509  132.834   10.125   5.0605   11.056   5.4832 -0.9311609 7.461517 
1 1 1   21    5  -19 o   21.189   4.9078  118.389   71.844  217.264  114.474   54.136   92.280   25.871   7.3282   16.508   6.5303 9.362564 9.815679 
1 1 1   21    6  -19 o   18.465   5.6692  -6.5526  109.691 -55.9396  138.683   75.968  179.266   15.619   7.0879   21.311   8.8500 -5.692080 11.33848 
1 1 1   21    7  -19 o   21.979   5.8048  142.488   91.393 -122.4439  262.358  179.077   97.500   20.338   9.4189   23.619   6.7874 -3.281525 11.60962 
1 1 1   21    8  -19 o   14.249   4.5897 -62.0256   83.750 -20.8855  121.466 -99.3072  115.629   15.462   6.8522   13.035   6.1082 2.427448 9.179488 
1 1 1   21    9  -19 o   16.426   4.5726   47.158   69.033 -64.1974  119.869  102.419   84.442   14.156   6.4868   18.696   6.4465 -4.540754 9.145253 
1 1 1   21   10  -19 o   13.143   4.4452 -130.5287   86.519 -157.7887  158.221 -118.9004  103.338   14.614   6.9377   11.671   5.5593 2.943648 8.890326 
1 1 1   21   11  -19 o   24.889   5.2825  190.536   79.939  260.538  133.596  151.493   99.771   27.906   7.9208   21.872   6.9915 6.034100 10.56507 
1 1 1   21   12  -19 o   12.593   4.1282 -68.1955   69.895 -68.0839  110.937 -68.2689   90.005   13.392   6.1749   11.794   5.4810 1.598197 8.256498 
1 1 1   21   13  -19 o   12.170   4.0316 -84.4247   70.726 -174.5666  122.438 -39.2847   86.643   11.987   5.7971   12.352   5.6043 -0.3653955 8.063145 
1 1 1   21   14  -19 o   15.862   4.7928 -11.3767   75.184   87.913  131.361 -59.7480   91.687   19.581   7.7769   12.142   5.6038 7.438324 9.585558 
1 1 1   21   15  -19 o   17.201   4.3378   62.189   65.347  151.027   84.815 -67.5814  102.509   21.652   6.3620   12.750   5.8985 8.902882 8.675696 
1 1 1   21   16  -19 o   18.803   4.6191  101.951   62.887   64.663   87.814  141.207   90.100   16.594   6.4268   21.012   6.6364 -4.418516 9.238246 
1 1 1   21   17  -19 f   17.428   5.7839  -5.9976   86.037 -211.2934  322.991   9.6819   89.262   20.659   9.8375   14.196   6.0861 6.463156 11.56787 
1 1 1   21   18  -19 o   17.211   5.9580 -116.1794   73.207  136.829  305.079 -131.6382   75.411   25.423   11.075   8.9987   4.3964 16.42431 11.91609 
1 1 1   21   19  -19 o   12.974   4.1838 -43.3335   66.017 -56.8866   82.040 -18.4346  111.198   11.343   5.2580   14.604   6.5093 -3.261547 8.367671 
1 1 1   21   20  -19 o   15.455   4.8199  -3.1793   83.878 -141.7050  162.443   47.182   97.946   14.792   7.0243   16.118   6.6020 -1.325648 9.639831 
1 1 1   21   21  -19 o   19.944   5.4896  118.013   86.429  155.709   91.950 -167.9062  253.238   21.600   6.6860   18.287   8.7087 3.312433 10.97930 
1 1 1   21    0  -20 o   10.614   5.2101 -121.8857  112.177 -171.0906  169.972 -83.9146  149.314   10.365   7.2910   10.863   7.4445 -0.000000 0.000000 
1 1 1   21    1  -20 o   12.878   4.6299 -686.1445  158.658 -646.1550  193.353 -768.5676  277.589   11.386   5.7724   14.369   7.2405 -2.983171 9.259873 
1 1 1   21    2  -20 o   18.474   5.2888   47.986   92.189 -32.1994  132.546  123.124  128.306   15.821   7.0750   21.127   7.8633 -5.306137 10.57769 
1 1 1   21    3  -20 o   30.089   4.9226  287.784   84.038  224.620  111.557  370.662  127.785   26.223   7.1631   33.954   6.7541 -7.730698 9.845201 
1 1 1   21    4  -20 o   17.313   5.1186   29.095   88.545   82.194  117.263 -41.3429  135.058   18.912   7.3982   15.715   7.0758 3.196261 10.23719 
1 1 1   21    5  -20 o   15.467   4.9797 -44.7996   91.407 -88.3983  167.372 -26.2694  109.116   16.470   7.5906   14.465   6.4476 2.004882 9.959361 
1 1 1   21    6  -20 o   34.416   6.9438  357.145  126.122  569.500  268.914  297.261  142.803   39.090   11.283   29.741   8.0963 9.349186 13.88764 
1 1 1   21    7  -20 o   12.448   4.2320 -161.3500   88.637 -126.3046  115.546 -211.4633  138.171   12.419   5.9052   12.478   6.0636 -0.5899906E-01 8.463943 
1 1 1   21    8  -20 o   10.132   3.6079 -312.7267   83.534 -298.9787  143.018 -319.8454  102.913   11.598   5.7408   8.6653   4.3716 2.932587 7.215763 
1 1 1   21    9  -20 o   23.842   5.4512  177.929   82.871  158.993  103.220  212.273  139.006   22.311   7.1092   25.373   8.2657 -3.061852 10.90244 
1 1 1   21   10  -20 o   14.456   4.6252 -40.0698   78.362 -22.9638  134.147 -48.9305   96.548   16.071   7.1572   12.840   5.8604 3.230575 9.250450 
1 1 1   21   11  -20 o   9.8330   3.4619 -206.2439   69.505 -331.1200  133.754 -160.0492   81.351   10.623   5.3057   9.0433   4.4483 1.579256 6.923733 
1 1 1   21   12  -20 o   24.508   5.4238  143.633   83.333  350.026  159.156   65.680   97.812   31.848   8.4958   17.168   6.7448 14.68012 10.84767 
1 1 1   21   13  -20 o   14.497   4.8246 -119.2756   74.671   38.425  176.879 -153.4762   82.371   19.758   8.5201   9.2354   4.5293 10.52230 9.649164 
1 1 1   21   14  -20 o   11.587   3.9871 -191.8189   83.719 -132.2570  125.924 -239.0005  112.075   12.936   6.1549   10.238   5.0702 2.697467 7.974295 
1 1 1   21   15  -20 o   27.034   4.5046  240.491   69.256  260.631   95.115  217.764  101.039   28.420   5.9839   25.648   6.7348 2.772537 9.009131 
1 1 1   21   16  -20 o   15.352   4.9356 -40.4843   77.040 -59.6179   86.662   31.611  168.222   11.672   5.4084   19.032   8.2578 -7.359261 9.871233 
1 1 1   21   17  -20 o   51.028   6.6650  952.771  180.704  1014.23  226.248  844.495  300.305   55.810   7.0191   46.245   11.332 9.565495 13.33008 
1 1 1   21   18  -20 o   15.951   5.1738 -71.5331  104.744 -123.0682  132.767   13.416  170.458   13.428   6.3689   18.473   8.1553 -5.045083 10.34757 
1 1 1   21   19  -20 o   22.923   6.0095  174.794  103.191  200.493  119.182   97.842  206.237   24.112   7.6345   21.735   9.2827 2.376753 12.01893 
1 1 1   21   20  -20 o   24.725   4.5220  209.309   72.440   85.255  105.005  321.965  100.065   17.975   7.0094   31.475   5.7152 -13.50014 9.044016 
1 1 1   21    0  -21 o   25.886   6.7490  284.011   98.745  338.576  131.459  213.364  149.584   30.386   8.6454   21.385   10.366 -0.000000 0.000000 
1 1 1   21    1  -21 o   14.317   4.6385 -134.2074   87.851   40.629  141.861 -242.9659  111.887   18.420   7.7757   10.214   5.0596 8.206212 9.276907 
1 1 1   21    2  -21 o   15.085   4.8431 -54.9166   92.624 -16.8399  126.115 -99.5085  136.479   15.794   6.9915   14.376   6.7037 1.417681 9.686109 
1 1 1   21    3  -21 o   13.361   4.4900 -116.1842   88.186 -73.3683  103.959 -226.0519  166.531   12.750   5.9132   13.973   6.7582 -1.222887 8.979979 
1 1 1   21    4  -21 o   23.204   5.1989  135.465   93.823  315.901  136.088 -27.9927  129.527   30.735   7.6864   15.673   7.0025 15.06259 10.39790 
1 1 1   21    5  -21 o   25.922   5.3291  181.029   85.324  369.093  151.167   93.101  103.364   33.082   7.9996   18.762   7.0430 14.32004 10.65827 
1 1 1   21    6  -21 o   23.455   5.9181  171.386  101.086  160.513  151.873  180.034  135.449   23.165   8.5683   23.745   8.1658 -0.5795746 11.83617 
1 1 1   21    7  -21 o   17.008   5.5112 -55.8879  106.458 -68.3102  123.603 -20.1941  209.518   14.228   6.5446   19.789   8.8692 -5.561157 11.02239 
1 1 1   21    8  -21 o   18.714   5.0970   87.492   77.723   92.627  105.967   81.513  114.343   18.801   7.1150   18.627   7.3004 0.1743507 10.19405 
1 1 1   21    9  -21 o   30.839   5.9643  328.873  109.470  347.740  150.074  307.419  160.032   31.925   8.1203   29.753   8.7380 2.172110 11.92862 
1 1 1   21   10  -21 o   20.263   5.2083  119.061   80.245   79.843  120.838  149.999  107.328   18.782   7.4591   21.745   7.2711 -2.962934 10.41667 
1 1 1   21   11  -21 o   16.675   4.5259   51.357   68.407 -48.8272  106.207  122.384   89.427   13.498   6.1551   19.853   6.6371 -6.355114 9.051859 
1 1 1   21   12  -21 o   18.058   4.7041   88.559   65.983   54.672   97.016  117.725   90.005   16.557   6.6471   19.560   6.6579 -3.003479 9.408117 
1 1 1   21   13  -21 f   13.605   4.2857 -17.1064   66.233 -32.5940  109.607  -8.1982   83.126   14.147   6.3717   13.062   5.7332 1.085624 8.571349 
1 1 1   21   14  -21 o   25.488   5.9074  169.916   84.495  353.313  191.319  125.476   94.178   30.958   9.6544   20.019   6.8105 10.93969 11.81487 
1 1 1   21   15  -21 o   22.934   5.9845  161.835   87.140  121.570  232.744  168.400   93.976   23.319   9.9077   22.549   6.7151 0.7695942 11.96895 
1 1 1   21   16  -21 o   19.918   4.8224   77.545   81.429  243.778  118.922 -69.1905  111.730   26.615   7.4448   13.222   6.1315 13.39296 9.644762 
1 1 1   21   17  -21 o   15.231   4.7909 -147.2819   81.379  138.374  155.828 -254.4062   95.426   21.711   8.5185   8.7505   4.3869 12.96074 9.581728 
1 1 1   21   18  -21 o   17.879   5.3073   51.253   76.138  104.213  172.085   38.362   84.900   20.832   8.6627   14.927   6.1342 5.904259 10.61465 
1 1 1   21    0  -22 o   17.524   6.8513  140.287  101.760  154.331  140.463  124.774  147.623   18.188   9.7456   16.859   9.6325 -0.000000 0.000000 
1 1 1   21    1  -22 o   21.931   5.3162  150.285   81.692  127.538  117.301  171.709  113.837   20.827   7.5575   23.036   7.4789 -2.209219 10.63247 
1 1 1   21    2  -22 o   16.113   5.3115 -80.1870  101.684 -88.1823  116.559 -54.7221  208.017   13.262   6.1878   18.964   8.6349 -5.702438 10.62307 
1 1 1   21    3  -22 o   30.352   6.5174  329.933  106.712  344.161  114.708  238.430  290.900   32.714   6.2998   27.990   11.411 4.723877 13.03472 
1 1 1   21    4  -22 o   34.751   4.1512  373.220   80.715  308.429  107.403  457.296  122.348   30.955   6.2233   38.547   5.4956 -7.591980 8.302487 
1 1 1   21    5  -22 f   18.901   5.6378   38.235  107.713 -26.1454  151.161  104.644  153.524   16.860   7.5464   20.942   8.3781 -4.082439 11.27567 
1 1 1   21    6  -22 o   12.413   4.3217 -262.1833  102.694 -285.7730  130.510 -223.8316  166.408   10.907   5.4136   13.919   6.7381 -3.012325 8.643462 
1 1 1   21    7  -22 o   15.866   4.9779 -44.7937   96.273 -153.4017  139.473   54.049  133.055   13.426   6.4128   18.307   7.6154 -4.880650 9.955804 
1 1 1   21    8  -22 o   15.744   4.8769  -4.3215   84.750   20.801  123.923 -26.3958  116.163   16.703   7.1661   14.786   6.6170 1.916936 9.753817 
1 1 1   21    9  -22 o   27.487   4.6326  249.986   72.619  272.461   99.646  224.529  106.051   29.002   6.1403   25.973   6.9383 3.029493 9.265143 
1 1 1   21   10  -22 o   14.746   5.0090 -152.9309  110.652 -212.2560  211.188 -130.4818  129.912   16.298   7.8131   13.194   6.2700 3.104467 10.01791 
1 1 1   21   11  -22 o   20.406   5.1327  124.090   81.349   38.836  127.806  182.155  105.474   17.419   7.3683   23.394   7.1476 -5.974928 10.26544 
1 1 1   21   12  -22 o   25.119   5.0990  220.489   80.989  143.430  128.413  271.387  104.362   21.556   7.8943   28.682   6.4559 -7.126480 10.19796 
1 1 1   21   13  -22 o   15.207   4.5980   12.881   68.256   52.597  117.351  -7.4250   83.910   17.326   7.1749   13.088   5.7520 4.237960 9.195917 
1 1 1   21   14  -22 o   20.728   5.8709  115.329   94.776  128.454  105.358   59.664  216.982   20.248   7.1846   21.209   9.2871 -0.9606552 11.74173 
1 1 1   21   15  -22 o   18.064   5.3548   59.444   92.795   96.523  109.050 -37.8694  176.663   18.705   7.1842   17.423   7.9426 1.281637 10.70970 
1 1 1   21   16  -22 o   24.290   5.9737  197.240   98.179  168.585  120.277  254.456  169.958   22.320   7.6938   26.261   9.1404 -3.941319 11.94744 
1 1 1   21    0  -23 o   10.209   5.1656 -259.6438  136.468 -250.7138  210.069 -266.1644  179.506   10.873   7.7346   9.5446   6.8491 -0.000000 0.000000 
1 1 1   21    1  -23 o   14.883   4.8457 -79.2698   98.358 -15.1679  128.600 -169.6223  152.677   15.843   7.0343   13.923   6.6664 1.919572 9.691355 
1 1 1   21    2  -23 o   19.921   5.0112   87.018   88.598 -93.3419  136.651  217.818  116.372   14.392   6.7100   25.450   7.4448 -11.05775 10.02248 
1 1 1   21    3  -23 o   16.751   5.3475 -59.0254   94.572 -104.2228  109.070   77.894  189.837   12.315   5.8207   21.188   8.9723 -8.872942 10.69500 
1 1 1   21    4  -23 o   29.966   6.0555  313.855  111.739  248.069  155.579  383.944  160.585   26.745   8.7462   33.187   8.3774 -6.441345 12.11100 
1 1 1   21    5  -23 o   19.964   5.1169  103.876   87.974 -57.1220  145.778  196.094  110.330   15.709   7.1819   24.219   7.2904 -8.510704 10.23380 
1 1 1   21    6  -23 o   15.861   4.8608   9.3886   81.745  -0.4364  109.545   21.734  122.797   15.117   6.6097   16.604   7.1290 -1.487597 9.721627 
1 1 1   21    7  -23 o   22.125   5.9822  145.171  108.295  187.318  131.369   55.787  191.312   23.721   8.0438   20.529   8.8568 3.191549 11.96435 
1 1 1   21    8  -23 o   13.751   4.6401 -138.8771   99.313 -123.5802  125.124 -164.9223  163.268   12.975   6.1625   14.527   6.9387 -1.552004 9.280219 
1 1 1   21    9  -23 o   13.906   4.5468 -67.9706   83.446 -45.4780  133.778 -82.2959  106.762   15.224   6.9290   12.587   5.8891 2.636703 9.093541 
1 1 1   21   10  -23 o   17.565   5.0650   60.926   82.213   93.446  104.924   9.2085  132.317   18.530   7.0636   16.600   7.2611 1.929590 10.13001 
1 1 1   21   11  -23 o   13.208   4.3850 -94.0188   84.794 -78.8962  123.323 -107.5789  116.779   13.736   6.3941   12.680   6.0024 1.055353 8.770052 
1 1 1   21   12  -23 o   19.807   5.1989   88.613   89.745 -36.2944  127.554  211.059  126.291   14.990   6.8007   24.624   7.8655 -9.633410 10.39789 
1 1 1   21   13  -23 o   16.541   5.2662 -22.9936   94.706 -50.8962  111.662   48.524  178.768   13.597   6.2419   19.485   8.4835 -5.887747 10.53240 
1 1 1   21    0  -24 o   26.316   8.4061  334.119  137.851  319.207  214.108  344.676  180.160   25.076   12.359   27.555   11.398 -0.000000 0.000000 
1 1 1   21    1  -24 o   23.479   5.5263  173.990   88.352  119.289  115.191  252.152  137.695   20.102   7.4568   26.857   8.1581 -6.755140 11.05251 
1 1 1   21    2  -24 o   13.342   4.4776 -125.8816   90.002 -79.4051  143.158 -156.2576  115.735   14.972   6.9423   11.711   5.6569 3.261731 8.955220 
1 1 1   21    3  -24 o   14.731   4.6956 -74.3182   83.219 -148.6403  104.019   57.848  138.712   10.999   5.3252   18.462   7.7355 -7.462674 9.391296 
1 1 1   21    4  -24 o   21.402   5.5880  140.298   92.372  106.372  134.364  170.701  127.197   20.058   7.8973   22.746   7.9079 -2.687250 11.17598 
1 1 1   21    5  -24 o   14.134   4.7422 -132.6891  103.068 -153.8141  137.384 -105.4929  155.881   13.152   6.3042   15.115   7.0859 -1.962716 9.484302 
1 1 1   21    6  -24 o   36.082   4.8900  390.390   95.692  586.344  170.580  300.406  115.593   42.282   6.9853   29.881   6.8451 12.40087 9.780058 
1 1 1   21    7  -24 o   15.582   4.8894  -6.0783   85.307  -5.3297  107.821  -7.3312  139.490   14.726   6.4944   16.437   7.3108 -1.710835 9.778845 
1 1 1   21    8  -24 o   20.872   5.5453  131.027   89.825  151.789  138.082  115.795  118.271   21.878   8.1545   19.866   7.5170 2.011400 11.09061 
1 1 1   21    9  -24 o   56.583   6.0277  1161.58  165.632  1019.26  305.718  1220.71  197.059   50.894   10.738   62.273   5.4792 -11.37864 12.05548 
1 1 1   21   10  -24 o   18.093   5.3860   56.654   95.452   74.295  142.100   42.150  128.849   18.899   7.8665   17.287   7.3590 1.611462 10.77203 
1 1 1   21    0  -25 o   11.384   5.5508 -92.7789  120.875 -88.5524  162.089 -98.0741  181.426   11.092   7.6409   11.676   8.0538 -0.000000 0.000000 
1 1 1   21    1  -25 o   19.947   5.0822  124.554   74.749  122.566  110.006  126.258  101.884   19.933   7.3056   19.961   7.0670 -0.2810478E-01 10.16440 
1 1 1   21    2  -25 o   23.118   5.7406  186.508   98.542  230.673  119.169   91.010  175.236   25.679   7.5401   20.557   8.6581 5.121237 11.48111 
1 1 1   21    3  -25 o   27.556   6.0514  274.064  104.729  297.195  167.078  259.093  134.413   28.199   9.0511   26.913   8.0347 1.286388 12.10281 
1 1 1   21    4  -25 f   30.635   5.8560  340.350  104.930  337.741  166.452  342.070  135.172   30.035   8.9353   31.234   7.5719 -1.199005 11.71208 
1 1 1   21    5  -25 o   21.284   6.0223  124.840  106.004  159.048  188.875  109.110  128.078   22.857   9.2401   19.711   7.7260 3.146147 12.04456 
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1 1 1   22    5   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   22   15   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   22    3   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   16   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   17   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   18   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   19   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   20   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   21   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   22   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   23   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   24   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   25   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   26   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   27   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   28   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   29   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   30   -2 o  ?   ?  -1026.9590  304.578   0.0000   0.0000 -1026.9590  304.578  ?   ?   ?   ?       ?      ? 
1 1 1   22    0   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   16   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   17   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   18   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   19   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   20   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   21   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   22   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   23   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   24   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   25   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   26   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   27   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   28   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   29   -3 o   16.928   8.4079 -536.2606  316.981   0.0000   0.0000 -536.2606  316.981  ?   ?    16.928   8.4079      ?      ? 
1 1 1   22   30   -3 o   17.998   8.8492 -394.0371  320.833   0.0000   0.0000 -394.0371  320.833  ?   ?    17.998   8.8492      ?      ? 
1 1 1   22    0   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13   -4 o   65.230   7.1785  1282.09  270.438   0.0000   0.0000  1282.09  270.438  ?   ?    65.230   7.1785      ?      ? 
1 1 1   22   14   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   16   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   17   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   18   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   19   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   20   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   21   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   22   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   23   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   24   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   25   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   26   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   27   -4 o   43.009   12.315  764.002  321.484   0.0000   0.0000  764.002  321.484  ?   ?    43.009   12.315      ?      ? 
1 1 1   22   28   -4 o   42.628   7.2430  544.949  228.209   4.4501  287.536  1464.90  375.127   22.335   10.163   62.921   10.323 -40.58620 14.48593 
1 1 1   22   29   -4 o   16.738   8.2448 -504.4470  109.440 -410.8973  282.754 -520.9308  118.690   16.738   8.2448  ?   ?       ?      ? 
1 1 1   22    0   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   -5 o   32.736   11.481  322.649  268.378   0.0000   0.0000  322.649  268.378  ?   ?    32.736   11.481      ?      ? 
1 1 1   22   13   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   16   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   17   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   18   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   19   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   20   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   21   -5 o   12.421   6.3128 -844.5734  241.363   0.0000   0.0000 -844.5734  241.363  ?   ?    12.421   6.3128      ?      ? 
1 1 1   22   22   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   23   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   24   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   25   -5 o   14.554   7.3469 -812.4445  293.134 -812.4445  293.134   0.0000   0.0000   14.554   7.3469  ?   ?       ?      ? 
1 1 1   22   26   -5 o   18.345   6.3419 -409.7210  218.543 -510.5146  292.051 -281.4594  329.451   16.577   8.2050   20.114   9.6726 -3.536619 12.68388 
1 1 1   22   27   -5 o   22.088   7.2313 -60.0559  218.119 -17.0388  288.935 -117.0514  332.583   22.197   10.134   21.979   10.319 0.2175388 14.46265 
1 1 1   22   28   -5 o   40.220   6.9800  642.053  160.945  491.773  290.830  708.393  193.231   34.067   11.951   46.374   7.2148 -12.30703 13.96006 
1 1 1   22   29   -5 o   35.011   8.7386  556.081  219.666  558.740  288.308  552.402  339.159   35.679   11.917   34.343   12.784 1.335800 17.47719 
1 1 1   22    0   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11   -6 o   58.239   8.1288  1031.93  273.417   0.0000   0.0000  1031.93  273.417  ?   ?    58.239   8.1288      ?      ? 
1 1 1   22   12   -6 o   19.758   9.2575 -222.4046  265.433   0.0000   0.0000 -222.4046  265.433  ?   ?    19.758   9.2575      ?      ? 
1 1 1   22   13   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   16   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   17   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   18   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   19   -6 o   15.386   7.5909 -459.7219  242.951   0.0000   0.0000 -459.7219  242.951  ?   ?    15.386   7.5909      ?      ? 
1 1 1   22   20   -6 o   24.708   10.258  121.719  240.758   0.0000   0.0000  121.719  240.758  ?   ?    24.708   10.258      ?      ? 
1 1 1   22   21   -6 o   17.967   8.5373 -216.8973  240.653   0.0000   0.0000 -216.8973  240.653  ?   ?    17.967   8.5373      ?      ? 
1 1 1   22   22   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   23   -6 o   19.370   9.2939 -283.5791  300.297 -283.5791  300.297   0.0000   0.0000   19.370   9.2939  ?   ?       ?      ? 
1 1 1   22   24   -6 o   38.179   8.3506  537.234  222.092  252.974  299.492  884.542  331.043   28.574   11.606   47.783   12.010 -19.20833 16.70115 
1 1 1   22   25   -6 o   32.047   8.9261  373.482  236.278  302.554  298.247  493.023  387.193   29.588   11.729   34.506   13.459 -4.917358 17.85210 
1 1 1   22   26   -6 o   26.429   8.1689  152.222  235.493  206.938  295.515   57.017  389.809   26.923   11.286   25.934   11.813 0.9890022 16.33785 
1 1 1   22   27   -6 o   11.933   6.0164 -544.0121  193.249   0.0000   0.0000 -544.0121  193.249  ?   ?    11.933   6.0164      ?      ? 
1 1 1   22   28   -6 o   50.326   7.9929  1128.86  237.116  1381.68  295.670  673.226  396.928   63.677   8.0397   36.974   13.817 26.70242 15.98575 
1 1 1   22   29   -6 o   30.001   8.6755  386.056  234.473  386.643  289.781  384.944  399.022   30.144   11.675   29.857   12.836 0.2871513 17.35106 
1 1 1   22    0   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   -7 o   21.592   9.6036 -54.4975  240.704   0.0000   0.0000 -54.4975  240.704  ?   ?    21.592   9.6036      ?      ? 
1 1 1   22   11   -7 f   13.447   6.7660 -697.3978  237.630   0.0000   0.0000 -697.3978  237.630  ?   ?    13.447   6.7660      ?      ? 
1 1 1   22   12   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   16   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   17   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   18   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   19   -7 o   38.652   9.7518  514.370  217.681   0.0000   0.0000  514.370  217.681  ?   ?    38.652   9.7518      ?      ? 
1 1 1   22   20   -7 o   19.882   9.5002 -699.8458  174.630 -282.5912  306.744 -899.9283  212.413   19.882   9.5002  ?   ?       ?      ? 
1 1 1   22   21   -7 o   16.883   8.3581 -562.8430  303.564 -562.8430  303.564   0.0000   0.0000   16.883   8.3581  ?   ?       ?      ? 
1 1 1   22   22   -7 o   28.109   11.564  220.673  302.158  220.673  302.158   0.0000   0.0000   28.109   11.564  ?   ?       ?      ? 
1 1 1   22   23   -7 o   39.193   9.1022  605.468  249.393  871.570  367.819  379.036  339.296   46.204   13.153   32.182   12.586 14.02131 18.20437 
1 1 1   22   24   -7 o   28.797   8.5284  196.293  249.015  444.547  362.656 -25.1668  342.527   33.587   13.046   24.007   10.988 9.580463 17.05676 
1 1 1   22   25   -7 o   45.667   8.6931  833.105  236.238  686.812  321.292  1005.28  348.555   40.867   12.472   50.467   12.113 -9.599915 17.38616 
1 1 1   22   26   -7 o   25.859   6.6814  225.725  129.866  230.441  188.258  221.443  179.381   26.068   9.5566   25.649   9.3399 0.4188232 13.36274 
1 1 1   22   27   -7 o   46.669   8.0209  897.572  250.839  1408.99  356.209  394.501  353.288   62.236   9.9100   31.101   12.615 31.13553 16.04177 
1 1 1   22   28   -7 o   21.281   7.1266 -302.9653  249.265  172.711  351.187 -785.8986  353.856   26.138   11.614   16.423   8.2623 9.715666 14.25319 
1 1 1   22    0   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   -8 o   22.532   9.8670 -18.5289  244.946   0.0000   0.0000 -18.5289  244.946  ?   ?    22.532   9.8670      ?      ? 
1 1 1   22   10   -8 o   35.122   10.870  398.883  243.055   0.0000   0.0000  398.883  243.055  ?   ?    35.122   10.870      ?      ? 
1 1 1   22   11   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   -8 o   20.537   8.3626   70.460  155.989   70.460  155.989   0.0000   0.0000   20.537   8.3626  ?   ?       ?      ? 
1 1 1   22   16   -8 o   81.868   7.4599  2080.71  352.723  2080.71  352.723   0.0000   0.0000   81.868   7.4599  ?   ?       ?      ? 
1 1 1   22   17   -8 o   30.576   11.696  285.892  288.284  285.892  288.284   0.0000   0.0000   30.576   11.696  ?   ?       ?      ? 
1 1 1   22   18   -8 o   37.402   7.4658  514.421  175.133  337.736  285.480  621.040  221.765   31.824   11.752   42.979   9.2110 -11.15563 14.93161 
1 1 1   22   19   -8 o   26.519   7.3443  186.120  172.480   12.853  280.507  291.455  218.712   23.479   10.408   29.559   10.364 -6.080767 14.68863 
1 1 1   22   20   -8 o   19.784   6.2922 -157.8755  178.627  118.162  209.229 -899.9470  343.052   23.505   9.6411   16.063   8.0880 7.442608 12.58437 
1 1 1   22   21   -8 o   21.861   10.329 -207.9026  342.989   0.0000   0.0000 -207.9026  342.989  ?   ?    21.861   10.329      ?      ? 
1 1 1   22   22   -8 o   29.001   7.2911 -165.2695  209.342 -723.7091  264.359  773.771  342.806   14.033   7.0702   43.969   12.754 -29.93656 14.58225 
1 1 1   22   23   -8 o   21.595   6.9078 -24.1866  183.760   75.908  217.119 -276.9274  345.010   22.295   9.5232   20.896   10.009 1.398869 13.81565 
1 1 1   22   24   -8 o   52.157   7.5318  833.195  195.788  647.625  223.610  1442.82  405.291   42.875   9.2980   61.438   11.852 -18.56263 15.06355 
1 1 1   22   25   -8 o   25.260   6.6701  203.964  132.032  155.079  185.081  254.622  188.407   23.426   9.2542   27.094   9.6083 -3.667974 13.34011 
1 1 1   22   26   -8 o   16.711   6.0138 -455.6489  167.958 -474.8298  184.260 -361.4084  408.427   12.040   6.0442   21.382   10.399 -9.342635 12.02758 
1 1 1   22   27   -8 o   28.274   8.6153  267.813  258.735  343.400  329.061  145.403  418.756   29.645   12.117   26.903   12.250 2.742010 17.23051 
1 1 1   22   28   -8 o   23.543   7.0599  144.908  171.472  239.694  187.166 -350.2296  427.776   25.753   9.5146   21.333   10.433 4.419987 14.11973 
1 1 1   22    0   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   -9 o   8.4703   4.1944 -175.9341   76.639 -175.9341   76.639   0.0000   0.0000   8.4703   4.1944  ?   ?       ?      ? 
1 1 1   22    8   -9 o   22.302   9.8422 -288.8936   73.829 -313.6647   77.334 -34.0691  248.039  ?   ?    22.302   9.8422      ?      ? 
1 1 1   22    9   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   -9 o   42.026   6.5867  531.029  159.872  531.029  159.872   0.0000   0.0000   42.026   6.5867  ?   ?       ?      ? 
1 1 1   22   11   -9 o   15.085   7.0678 -139.4947  154.701 -139.4947  154.701   0.0000   0.0000   15.085   7.0678  ?   ?       ?      ? 
1 1 1   22   12   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   -9 o   18.782   8.5821 -97.1278  207.777 -97.1278  207.777   0.0000   0.0000   18.782   8.5821  ?   ?       ?      ? 
1 1 1   22   15   -9 o   19.056   8.6688 -82.8015  209.052 -82.8015  209.052   0.0000   0.0000   19.056   8.6688  ?   ?       ?      ? 
1 1 1   22   16   -9 o   17.900   8.6050 -307.1514  260.188 -307.1514  260.188   0.0000   0.0000   17.900   8.6050  ?   ?       ?      ? 
1 1 1   22   17   -9 o   20.190   6.3875 -62.2615  155.865 -168.2912  214.138   57.206  227.303   17.616   8.2732   22.763   9.7342 -5.147398 12.77499 
1 1 1   22   18   -9 o   13.888   4.8907 -497.7260  154.656 -565.1553  214.705 -425.0101  222.963   13.063   6.5533   14.714   7.2616 -1.650403 9.781461 
1 1 1   22   19   -9 o   31.586   7.4040  350.313  154.981  313.257  267.310  369.076  190.213   30.521   11.352   32.651   9.5086 -2.130753 14.80797 
1 1 1   22   20   -9 o   27.540   11.931 -548.3226  183.549 -811.0028  215.564  144.274  350.029  ?   ?    27.540   11.931      ?      ? 
1 1 1   22   21   -9 o   26.050   7.8707  130.868  214.131  226.377  268.704 -35.3296  354.459   27.654   11.077   24.446   11.185 3.207399 15.74145 
1 1 1   22   22   -9 o   26.634   7.8894  171.102  187.518  150.086  220.717  225.627  355.514   24.435   9.9484   28.832   12.248 -4.397455 15.77888 
1 1 1   22   23   -9 o   22.056   7.1316 -45.6703  166.127 -96.2556  187.960  134.915  355.135   17.217   7.9732   26.895   11.827 -9.678139 14.26325 
1 1 1   22   24   -9 o   35.639   9.1232  451.582  188.583  451.582  188.583   0.0000   0.0000   35.639   9.1232  ?   ?       ?      ? 
1 1 1   22   25   -9 o   18.065   5.8160 -49.5580  133.939 -87.0589  190.525 -12.9157  188.332   17.347   8.0311   18.784   8.4145 -1.437094 11.63196 
1 1 1   22   26   -9 o   22.112   9.4857   91.036  217.083   91.036  217.083   0.0000   0.0000   22.112   9.4857  ?   ?       ?      ? 
1 1 1   22   27   -9 o   27.189   7.7084  264.807  171.158  285.364  191.184  181.813  384.143   27.657   9.6905   26.721   11.990 0.9355392 15.41677 
1 1 1   22   28   -9 o   18.724   5.6860   35.805  119.143 -188.7500  217.999  131.447  142.271   16.506   7.9196   20.943   8.1610 -4.436100 11.37202 
1 1 1   22    0  -10 f   35.712   4.2113  385.777   83.689   0.0000   0.0000  385.777   83.689   35.712   4.2113   35.712   4.2113 -0.000000 0.000000 
1 1 1   22    1  -10 o   23.512   3.6657  162.711   56.469  310.103   81.207   24.715   78.576   32.532   4.3221   14.492   5.9220 18.04020 7.331491 
1 1 1   22    2  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4  -10 o   13.644   6.5805 -227.9935  155.147 -227.9935  155.147   0.0000   0.0000   13.644   6.5805  ?   ?       ?      ? 
1 1 1   22    5  -10 o   34.357   8.1203  372.956  158.582  372.956  158.582   0.0000   0.0000   34.357   8.1203  ?   ?       ?      ? 
1 1 1   22    6  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7  -10 f   21.504   5.8943   92.305   75.681  124.836  216.419   87.772   80.782   24.989   9.9640   18.020   6.2999 6.968943 11.78853 
1 1 1   22    8  -10 f   17.197   8.1407 -221.6134  214.865 -221.6134  214.865   0.0000   0.0000   17.197   8.1407  ?   ?       ?      ? 
1 1 1   22    9  -10 o   57.097   6.5000  980.623  214.345  980.623  214.345   0.0000   0.0000   57.097   6.5000  ?   ?       ?      ? 
1 1 1   22   10  -10 o   56.735   6.6323  972.042  217.323  972.042  217.323   0.0000   0.0000   56.735   6.6323  ?   ?       ?      ? 
1 1 1   22   11  -10 o   17.047   8.2878 -395.1352  258.912 -395.1352  258.912   0.0000   0.0000   17.047   8.2878  ?   ?       ?      ? 
1 1 1   22   12  -10 o   19.431   5.8201   32.687   87.124   82.928  214.599   22.772   95.334   23.381   9.6941   15.481   6.4436 7.899378 11.64029 
1 1 1   22   13  -10 o   24.486   6.6300  151.262  126.275  159.426  216.104  147.029  155.603   25.596   10.035   23.376   8.6675 2.220022 13.25995 
1 1 1   22   14  -10 o   39.523   7.0721  542.625  159.294  465.526  265.633  585.920  199.058   36.566   11.372   42.480   8.4111 -5.913986 14.14416 
1 1 1   22   15  -10 o   28.657   6.8441  266.794  134.007  228.654  216.593  290.448  170.574   27.645   10.231   29.668   9.0937 -2.022964 13.68824 
1 1 1   22   16  -10 o   23.311   9.7301   90.750  218.264   90.750  218.264   0.0000   0.0000   23.311   9.7301  ?   ?       ?      ? 
1 1 1   22   17  -10 o   27.558   7.6619  213.377  177.689  226.023  267.811  203.433  237.492   28.181   11.132   26.934   10.531 1.246197 15.32388 
1 1 1   22   18  -10 o   24.153   6.2519  177.207  114.422   58.452  219.172  221.701  134.156   22.277   9.5432   26.029   8.0791 -3.752331 12.50378 
1 1 1   22   19  -10 o   35.014   6.0542  431.303  116.048  344.200  222.774  463.741  135.950   31.265   10.475   38.762   6.0727 -7.497082 12.10837 
1 1 1   22   20  -10 o   13.303   4.7546 -475.4583  138.553 -575.0128  269.954 -439.8548  161.438   15.362   7.6512   11.244   5.6466 4.117451 9.509199 
1 1 1   22   21  -10 o   22.363   6.2947  123.558  121.803  144.251  178.431  105.499  166.681   23.198   9.1110   21.528   8.6882 1.669827 12.58947 
1 1 1   22   22  -10 o   21.190   6.2777   75.691  131.849 -39.7845  221.803  138.793  163.964   19.838   8.9871   22.542   8.7676 -2.704348 12.55538 
1 1 1   22   23  -10 o   34.735   5.5335  398.210  107.054  345.868  138.487  475.932  168.754   32.037   7.5994   37.433   8.0453 -5.395287 11.06700 
1 1 1   22   24  -10 o   14.321   4.8617 -168.5733  110.087 -166.2774  136.720 -172.8062  185.641   12.989   6.2425   15.654   7.4551 -2.664972 9.723496 
1 1 1   22   25  -10 o   10.852   5.4368 -370.0329  145.387 -370.0329  145.387   0.0000   0.0000   10.852   5.4368  ?   ?       ?      ? 
1 1 1   22   26  -10 o   23.212   5.9233  170.918  102.661  118.888  137.624  236.192  154.146   20.592   8.0260   25.833   8.7135 -5.241280 11.84657 
1 1 1   22   27  -10 o   24.941   6.8303  212.533  128.807  169.703  282.884  223.735  144.675   24.827   10.740   25.056   8.4416 -0.2292023 13.66066 
1 1 1   22    0  -11 o   9.9052   7.1503 -376.6203  209.355   0.0000   0.0000 -376.6203  209.355   9.9052   7.1503   9.9052   7.1503 -0.000000 0.000000 
1 1 1   22    1  -11 o   24.823   6.9410  127.323  147.379  130.732  207.029  123.821  209.849   24.882   9.8008   24.765   9.8314 0.1174889 13.88208 
1 1 1   22    2  -11 f   41.252   6.0003  555.710  149.743  939.055  212.426  177.069  211.119   55.976   6.5708   26.527   10.042 29.44858 12.00057 
1 1 1   22    3  -11 o   22.488   6.1798   96.436  123.557 -80.2578  210.437  189.396  152.637   19.526   8.8082   25.449   8.6703 -5.923019 12.35950 
1 1 1   22    4  -11 o   16.222   6.2047   56.118   81.129   0.0000   0.0000   56.118   81.129  ?   ?    16.222   6.2047      ?      ? 
1 1 1   22    5  -11 o   19.137   6.3726 -267.2781  185.436 -118.5528  260.218 -420.7332  264.324   21.139   9.6377   17.134   8.3401 4.004812 12.74530 
1 1 1   22    6  -11 f   14.221   7.0299 -446.6862  211.870 -446.6862  211.870   0.0000   0.0000   14.221   7.0299  ?   ?       ?      ? 
1 1 1   22    7  -11 f   15.137   5.3235 -549.3665  165.371 -692.0116  212.842 -332.0861  262.687   12.239   6.1879   18.036   8.6641 -5.796940 10.64691 
1 1 1   22    8  -11 o   34.798   7.2783  409.183  166.572  538.646  216.041  219.405  261.570   40.660   9.3896   28.936   11.124 11.72389 14.55665 
1 1 1   22    9  -11 o   14.729   5.1718 -152.9607   84.823 -235.9227  263.545 -143.3735   89.590   19.277   9.0920   10.180   4.9319 9.097325 10.34350 
1 1 1   22   10  -11 o   19.318   5.6933 -26.1325   70.327  218.985  215.126 -55.4630   74.416   27.698   10.207   10.938   5.0481 16.76017 11.38668 
1 1 1   22   11  -11 o   23.452   6.4397  111.301  113.852  204.275  217.719   76.307  133.571   27.157   10.216   19.748   7.8425 7.408529 12.87933 
1 1 1   22   12  -11 o   29.535   8.6213  283.690  156.207   0.0000   0.0000  283.690  156.207  ?   ?    29.535   8.6213      ?      ? 
1 1 1   22   13  -11 o   18.378   5.8195 -59.0732  131.734 -418.6264  267.030   56.579  151.445   16.990   8.2944   19.766   8.1653 -2.776148 11.63909 
1 1 1   22   14  -11 o   44.903   6.6396  671.907  165.835  645.253  222.122  705.474  249.270   44.104   9.0243   45.701   9.7417 -1.597496 13.27929 
1 1 1   22   15  -11 o   40.565   6.9084  551.156  164.329  360.649  220.140  790.905  246.959   32.398   10.388   48.732   9.1095 -16.33349 13.81674 
1 1 1   22   16  -11 o   29.816   6.1777  297.134  112.888  288.887  152.775  307.051  167.540   29.434   8.5073   30.199   8.9600 -0.7648239 12.35535 
1 1 1   22   17  -11 f   19.608   7.9522   73.419  140.380   73.419  140.380   0.0000   0.0000   19.608   7.9522  ?   ?       ?      ? 
1 1 1   22   18  -11 o   13.706   4.6710 -195.9739  108.353 -289.8537  179.272 -141.9401  136.006   13.877   6.7796   13.535   6.4274 0.3422899 9.342093 
1 1 1   22   19  -11 o   19.674   5.7773   53.437  107.297   10.021  139.872  115.516  167.256   17.381   7.5358   21.966   8.7592 -4.584358 11.55469 
1 1 1   22   20  -11 o   9.6050   4.8733 -483.6419  139.626 -483.6419  139.626   0.0000   0.0000   9.6050   4.8733  ?   ?       ?      ? 
1 1 1   22   21  -11 o   35.492   6.5530  406.158  129.377  406.158  129.377   0.0000   0.0000   35.492   6.5530  ?   ?       ?      ? 
1 1 1   22   22  -11 o   26.017   5.8026  228.163   97.958  258.922  139.710  198.418  137.385   27.522   8.1858   24.511   8.2263 3.011484 11.60512 
1 1 1   22   23  -11 o   27.956   6.6958  238.357  118.643  177.438  139.447  398.055  225.779   23.441   8.2711   32.471   10.532 -9.030033 13.39163 
1 1 1   22   24  -11 f   14.447   6.7492 -95.7027  139.350 -95.7027  139.350   0.0000   0.0000   14.447   6.7492  ?   ?       ?      ? 
1 1 1   22   25  -11 o   18.924   5.5170   56.867  100.735 -16.4800  138.777  138.555  146.455   16.211   7.2452   21.638   8.3221 -5.426823 11.03401 
1 1 1   22   26  -11 f   14.810   4.8408 -67.1920   97.317 -61.4668  138.242 -72.8164  137.020   14.972   6.8996   14.648   6.7919 0.3236284 9.681678 
1 1 1   22    0  -12 o   9.2364   6.7968 -718.0569  254.293   0.0000   0.0000 -718.0569  254.293   9.2364   6.7968   9.2364   6.7968 -0.000000 0.000000 
1 1 1   22    1  -12 o   29.134   7.2583  243.972  163.460   55.864  260.522  366.104  209.921   24.669   10.482   33.600   10.043 -8.930721 14.51670 
1 1 1   22    2  -12 o   35.503   4.6248  371.613   94.831   0.0000   0.0000  371.613   94.831  ?   ?    35.503   4.6248      ?      ? 
1 1 1   22    3  -12 o   72.401   3.7548  1564.84  153.512  1989.45  221.686  1173.64  212.786   82.116   4.6744   62.686   5.8775 19.43063 7.509608 
1 1 1   22    4  -12 o   12.395   4.3621 -226.8854   91.350 -462.9791  215.828 -175.3602  100.827   14.247   7.0522   10.543   5.1359 3.704782 8.724172 
1 1 1   22    5  -12 o   18.711   4.8871   97.686   61.872 -229.3482  217.381  126.515   64.541   17.152   8.1393   20.270   5.4116 -3.118504 9.774114 
1 1 1   22    6  -12 o   27.193   6.7378  145.909   96.668  385.875  265.499  109.236  103.792   34.331   11.435   20.054   7.1294 14.27684 13.47554 
1 1 1   22    7  -12 o   7.9618   3.9438 -156.0114   67.944   0.0000   0.0000 -156.0114   67.944  ?   ?    7.9618   3.9438      ?      ? 
1 1 1   22    8  -12 o   22.049   6.9921 -44.0168  178.892   21.022  215.877 -186.5713  319.603   21.831   9.4134   22.267   10.341 -0.4359989 13.98423 
1 1 1   22    9  -12 o   26.522   6.6079  213.169  125.684  132.256  220.811  251.947  152.862   24.969   10.027   28.075   8.6092 -3.106379 13.21575 
1 1 1   22   10  -12 o   15.295   7.6110 -841.7641  201.885 -596.9421  264.655 -1182.5000  312.223   15.295   7.6110  ?   ?       ?      ? 
1 1 1   22   11  -12 o   36.534   6.7522  447.386  143.173  451.863  218.061  443.993  189.820   36.487   10.035   36.582   9.0373 -0.9468842E-01 13.50443 
1 1 1   22   12  -12 o   21.305   6.5834   6.0496  149.595 -17.3360  190.821   43.340  240.963   19.537   8.6266   23.073   9.9472 -3.536226 13.16683 
1 1 1   22   13  -12 o   35.034   4.8084  366.812   97.291  366.812   97.291   0.0000   0.0000   35.034   4.8084  ?   ?       ?      ? 
1 1 1   22   14  -12 o   22.530   9.2083   99.437  190.018   0.0000   0.0000   99.437  190.018  ?   ?    22.530   9.2083      ?      ? 
1 1 1   22   15  -12 o   17.167   5.5540 -75.3193  122.437 -233.8676  220.315  -4.4718  147.274   16.841   8.0483   17.494   7.6560 -0.6527061 11.10806 
1 1 1   22   16  -12 o   12.364   4.2728 -246.2697  101.392 -201.0220  140.484 -295.4652  146.484   12.830   6.2060   11.899   5.8749 0.9312506 8.545697 
1 1 1   22   17  -12 o   20.859   6.3613   43.583  128.580   38.241  152.492   56.725  239.168   18.910   8.0265   22.807   9.8711 -3.897095 12.72259 
1 1 1   22   18  -12 o   30.251   7.0905  278.643  115.276  258.945  125.092  389.586  296.867   27.916   7.5685   32.585   11.992 -4.669350 14.18105 
1 1 1   22   19  -12 f   35.397   5.6107  416.838  110.215  401.211  142.414  440.175  174.033   34.920   7.2966   35.875   8.5253 -0.9550056 11.22150 
1 1 1   22   20  -12 o   46.798   4.3024  677.513  115.421  646.197  152.875  719.030  176.022   45.709   5.7910   47.887   6.3645 -2.178146 8.604753 
1 1 1   22   21  -12 o   17.123   5.4683 -53.4363  112.627   27.751  180.183 -105.4985  144.288   19.596   8.5244   14.649   6.8515 4.946450 10.93657 
1 1 1   22   22  -12 o   14.058   4.8486 -222.1233  117.938 -405.0686  227.983 -155.2760  137.811   14.852   7.3322   13.264   6.3461 1.587949 9.697102 
1 1 1   22   23  -12 o   21.399   6.1515  109.985  119.825   75.090  178.923  138.364  161.353   20.638   8.7234   22.161   8.6758 -1.522903 12.30309 
1 1 1   22   24  -12 o   24.289   7.5482  200.784  117.063   0.0000   0.0000  200.784  117.063  ?   ?    24.289   7.5482      ?      ? 
1 1 1   22   25  -12 o   35.108   5.2256  434.691   93.901  378.049  178.268  456.442  110.468   31.816   9.1879   38.400   4.9811 -6.583944 10.45126 
1 1 1   22   26  -12 o   20.524   5.4655  127.412   95.883 -22.4992  174.714  192.022  114.699   17.537   7.9574   23.510   7.4944 -5.972572 10.93095 
1 1 1   22    0  -13 o   30.799   5.9703  473.227   94.761  558.457  105.505  117.536  215.532   43.126   4.3364   18.472   11.125 -0.000000 0.000000 
1 1 1   22    1  -13 o   9.3748   3.2879 -223.8434   67.815 -189.7809   91.813 -264.7374  100.599   9.5490   4.7025   9.2006   4.5964 0.3483505 6.575740 
1 1 1   22    2  -13 o   22.287   6.3425   93.269   86.195  110.724  266.142   91.224   91.105   25.998   10.789   18.575   6.6714 7.422964 12.68497 
1 1 1   22    3  -13 f   12.315   3.9997 -61.2118   64.759 -56.8613   95.076 -64.9770   88.449   12.708   5.8060   11.922   5.5029 0.7854366 7.999492 
1 1 1   22    4  -13 o   27.705   5.4312  283.172   87.438  328.669   94.069  -5.8022  237.076   33.284   4.8936   22.126   9.6977 11.15822 10.86240 
1 1 1   22    5  -13 o   10.281   4.9904 -152.4032   92.921 -152.4032   92.921   0.0000   0.0000   10.281   4.9904  ?   ?       ?      ? 
1 1 1   22    6  -13 o   19.262   4.7966  101.876   64.794  101.210  106.909  102.263   81.460   19.694   7.2045   18.830   6.3344 0.8639660 9.593139 
1 1 1   22    7  -13 o   16.393   5.7741 -180.0825  100.790 -174.9652  105.936 -228.9489  327.362   10.918   5.3063   21.868   10.257 -10.94992 11.54819 
1 1 1   22    8  -13 o   17.613   4.2345   88.618   51.116   95.008   65.941   78.997   80.912   17.859   5.6813   17.367   6.2806 0.4916611 8.468946 
1 1 1   22    9  -13 o   33.793   5.8504  426.690   97.278  466.099  106.097  218.758  243.703   39.600   4.6389   27.986   10.742 11.61472 11.70079 
1 1 1   22   10  -13 o   17.647   6.0100 -311.3400  180.495 -171.1532  218.935 -608.7965  318.914   17.893   8.3911   17.402   8.6063 0.4909344 12.01991 
1 1 1   22   11  -13 o   24.950   9.5788  166.736  193.810   0.0000   0.0000  166.736  193.810  ?   ?    24.950   9.5788      ?      ? 
1 1 1   22   12  -13 o   12.557   4.4679 -197.4030   70.810 -207.8407   76.085 -129.8633  193.543   7.8863   3.9483   17.227   8.0162 -9.340586 8.935833 
1 1 1   22   13  -13 o   17.271   6.0381 -193.1787   79.291 -212.7831   81.929   96.628  315.005   8.3174   4.1541   26.224   11.339 -17.90640 12.07614 
1 1 1   22   14  -13 o   14.313   5.0770 -172.3699   76.267 -179.3609   80.213 -106.5093  246.202   8.6577   4.2879   19.968   9.2042 -11.31074 10.15394 
1 1 1   22   15  -13 o   14.697   4.9576 -163.4380  112.705 -125.0741  138.978 -237.1353  192.624   14.068   6.6252   15.327   7.3770 -1.258467 9.915275 
1 1 1   22   16  -13 o   13.503   4.6291 -66.9754   68.133 -293.1310  222.965 -43.6823   71.556   16.071   7.7845   10.936   5.0116 5.134951 9.258149 
1 1 1   22   17  -13 o   18.103   4.8895   46.146   69.995  164.557  125.802  -6.9455   84.237   22.915   7.8702   13.291   5.8042 9.623496 9.779028 
1 1 1   22   18  -13 o   24.417   5.1224  215.488   73.891   64.581  183.804  244.577   80.700   20.875   8.8336   27.959   5.1886 -7.084114 10.24473 
1 1 1   22   19  -13 o   32.224   6.9835  315.551  108.122  293.122  115.814  467.791  301.729   29.893   6.8543   34.556   12.169 -4.662540 13.96696 
1 1 1   22   20  -13 o   22.285   5.5066  161.237   91.565   13.235  182.894  210.741  105.775   19.338   8.4956   25.233   7.0083 -5.894930 11.01323 
1 1 1   22   21  -13 o   12.568   5.9224 -100.5529  111.371   0.0000   0.0000 -100.5529  111.371  ?   ?    12.568   5.9224      ?      ? 
1 1 1   22   22  -13 o   14.164   4.5757 -48.0579   79.297 -30.1040  134.296 -57.6678   98.253   15.704   7.0647   12.623   5.8170 3.080963 9.151347 
1 1 1   22   23  -13 o   15.589   5.5315 -200.0881   94.070 -47.9538  293.463 -217.5107   99.311   21.633   9.9984   9.5453   4.7352 12.08739 11.06300 
1 1 1   22   24  -13 o   14.249   4.7587 -81.8473   88.497 -117.7895  179.333 -70.2772  101.749   16.031   7.5422   12.466   5.8048 3.564215 9.517406 
1 1 1   22   25  -13 o   17.054   5.2859   16.769   97.311   35.068  155.854   5.0781  124.577   18.209   7.9246   15.899   6.9976 2.309792 10.57189 
1 1 1   22    0  -14 o   17.736   6.0100  133.271   74.691   84.760  102.772  187.580  108.740   14.399   8.1122   21.072   8.8697 -0.000000 0.000000 
1 1 1   22    1  -14 o   30.348   5.4710  283.364   92.366  283.364   92.366   0.0000   0.0000   30.348   5.4710  ?   ?       ?      ? 
1 1 1   22    2  -14 f   23.038   5.4433  156.791   82.285  151.502  101.773  166.775  139.827   22.256   7.0558   23.820   8.2907 -1.563953 10.88667 
1 1 1   22    3  -14 o   10.753   3.7935 -301.9861   84.062 -379.0063  106.985 -177.7094  135.899   8.4550   4.2872   13.051   6.2595 -4.596215 7.586929 
1 1 1   22    4  -14 o   38.049   5.2500  406.037   88.934  377.535   97.730  543.338  214.502   35.641   4.7478   40.457   9.3653 -4.815636 10.50003 
1 1 1   22    5  -14 o   19.711   5.3946   94.666   64.615  105.315   67.847  -9.1835  211.872   18.641   5.7388   20.781   9.1365 -2.139902 10.78929 
1 1 1   22    6  -14 o   18.642   4.2745  108.258   53.389  134.149   62.187   35.678  104.119   20.778   5.1957   16.505   6.7890 4.273376 8.549062 
1 1 1   22    7  -14 o   15.836   7.5064 -322.9505   68.279 -344.9887   73.536 -185.1336  183.891  ?   ?    15.836   7.5064      ?      ? 
1 1 1   22    8  -14 o   12.146   4.3516 -224.3644   82.040 -369.6389  219.813 -200.8528   88.430   15.237   7.4570   9.0547   4.4876 6.181849 8.703184 
1 1 1   22    9  -14 o   28.828   4.3218  247.223   64.630  225.875   76.476  300.567  120.889   27.048   5.0822   30.609   6.9917 -3.560614 8.643601 
1 1 1   22   10  -14 o   19.547   4.5968  111.326   62.070  147.807   88.329   75.738   87.241   21.712   6.5204   17.382   6.4811 4.329676 9.193515 
1 1 1   22   11  -14 o   28.800   3.4457  256.524   54.759  278.818   72.703  227.298   83.243   30.651   4.1069   26.948   5.5339 3.703737 6.891338 
1 1 1   22   12  -14 o   24.615   4.7332  203.693   69.104  143.548  119.483  233.923   84.708   21.919   7.6619   27.311   5.5593 -5.392199 9.466300 
1 1 1   22   13  -14 o   10.370   5.2275 -428.8124   77.992 -437.1511  145.486 -425.4496   92.389   10.370   5.2275  ?   ?       ?      ? 
1 1 1   22   14  -14 o   20.946   5.6295  127.565   77.012 -261.6428  303.248  154.397   79.623   19.879   9.4841   22.014   6.0675 -2.135073 11.25894 
1 1 1   22   15  -14 o   16.077   4.4872   25.972   64.248  114.891  101.992 -32.5247   82.724   19.878   7.0672   12.275   5.5312 7.603339 8.974419 
1 1 1   22   16  -14 o   10.731   3.7903 -242.5862   81.729 -374.4880  162.526 -197.9422   94.554   11.923   5.9383   9.5390   4.7117 2.384225 7.580502 
1 1 1   22   17  -14 o   16.513   5.2556 -40.7858  106.021  -4.5586  146.186 -80.9844  153.991   17.234   7.5828   15.792   7.2790 1.442507 10.51111 
1 1 1   22   18  -14 o   15.183   4.7804  -2.1315   64.158   5.0674  159.152  -3.5284   70.107   18.107   7.9407   12.258   5.3249 5.848499 9.560821 
1 1 1   22   19  -14 o   12.710   5.5093  -1.3451   74.725   0.0000   0.0000  -1.3451   74.725  ?   ?    12.710   5.5093      ?      ? 
1 1 1   22   20  -14 o   12.145   4.1768 -87.8876   60.224 -118.9591  158.728 -82.6624   65.092   15.168   7.1233   9.1218   4.3635 6.046041 8.353528 
1 1 1   22   21  -14 o   8.2958   4.0779 -132.3295   68.002   0.0000   0.0000 -132.3295   68.002  ?   ?    8.2958   4.0779      ?      ? 
1 1 1   22   22  -14 o   11.877   3.8461 -95.9057   56.057   37.233  101.442 -154.4360   67.260   15.935   6.6409   7.8190   3.8819 8.116284 7.692193 
1 1 1   22   23  -14 o   20.881   5.9551   78.284   85.041   48.687   92.778  233.863  212.717   15.884   6.4565   25.879   10.008 -9.994842 11.91013 
1 1 1   22   24  -14 o   16.892   5.5286 -72.2602  111.189 -115.5318  130.231   44.107  213.564   13.310   6.3114   20.475   9.0791 -7.164789 11.05730 
1 1 1   22    0  -15 o   18.923   6.2772  148.740   78.042  213.342  123.144  105.379  100.889   22.346   9.4419   15.500   8.2741 -0.000000 0.000000 
1 1 1   22    1  -15 o   22.355   5.0464  157.038   70.128  172.124   81.277  113.081  138.733   23.393   5.9899   21.316   8.1231 2.076317 10.09281 
1 1 1   22    2  -15 o   22.782   5.2714  165.631   71.711  184.434   78.007   63.058  182.199   24.268   5.6681   21.296   8.8896 2.972277 10.54286 
1 1 1   22    3  -15 o   13.787   4.4026 -44.9633   74.158 -52.6107   99.800 -35.5348  110.814   13.131   5.9797   14.443   6.4634 -1.312298 8.805235 
1 1 1   22    4  -15 o   11.602   5.7600 -339.4166   64.024 -340.3107   70.998 -335.5248  148.129  ?   ?    11.602   5.7600      ?      ? 
1 1 1   22    5  -15 o   21.961   4.1833  154.191   56.859  206.087   76.885   91.550   84.470   25.738   5.3469   18.184   6.4351 7.554209 8.366608 
1 1 1   22    6  -15 o   9.0286   3.1591 -198.4853   61.695 -260.6774   90.687 -144.9037   84.175   8.4324   4.2342   9.6248   4.6896 -1.192434 6.318292 
1 1 1   22    7  -15 o   29.272   3.8137  252.738   62.188  322.229  100.012  208.933   79.406   32.693   5.2968   25.851   5.4882 6.841484 7.627360 
1 1 1   22    8  -15 o   13.828   4.5390 -69.8287   69.283 -83.0806   78.134 -21.0801  149.859   10.437   4.9313   17.218   7.6218 -6.780965 9.077909 
1 1 1   22    9  -15 o   30.462   3.8514  261.825   59.722  233.011   69.392  344.144  117.288   27.978   4.2944   32.946   6.3947 -4.967863 7.702830 
1 1 1   22   10  -15 o   10.628   3.6096 -132.1860   62.986 -71.7260   97.034 -176.2101   82.801   12.322   5.7141   8.9339   4.4121 3.388038 7.219282 
1 1 1   22   11  -15 o   15.829   4.8279   9.1713   62.409  -0.0478   68.651   53.067  149.799   12.348   5.3164   19.310   8.0605 -6.961979 9.655870 
1 1 1   22   12  -15 o   13.904   4.4848 -57.3153   76.069 -19.6785  127.593 -78.0699   94.750   15.857   7.0252   11.950   5.5769 3.906604 8.969684 
1 1 1   22   13  -15 o   10.625   3.6850 -186.5748   73.921 -183.0917   94.269 -192.1361  119.117   9.7585   4.7978   11.491   5.5944 -1.732430 7.369994 
1 1 1   22   14  -15 f   10.184   3.5467 -161.1607   64.506 -150.3687   76.781 -187.0546  118.932   8.8191   4.3348   11.548   5.6149 -2.728996 7.093492 
1 1 1   22   15  -15 o   15.571   4.5377   36.438   64.106   44.726   79.449   20.973  108.525   15.199   6.0444   15.944   6.7696 -0.7455149 9.075370 
1 1 1   22   16  -15 o   10.568   5.2417 -330.8377   64.833 -266.6389  121.573 -356.3510   76.640   10.568   5.2417  ?   ?       ?      ? 
1 1 1   22   17  -15 o   12.796   3.8860 -40.5483   59.350   58.420   81.419 -152.7637   86.697   15.974   6.1878   9.6194   4.7026 6.354095 7.772013 
1 1 1   22   18  -15 o   16.220   4.7498   15.068   66.229 -18.7209   77.311  108.236  128.378   12.241   5.4436   20.199   7.7853 -7.958363 9.499621 
1 1 1   22   19  -15 o   24.814   7.0921  111.548   92.167  385.122  335.612   89.232   95.852   31.491   12.455   18.137   6.7874 13.35309 14.18414 
1 1 1   22   20  -15 o   12.353   3.8797 -32.9072   53.969   28.074   90.231 -66.8751   67.343   14.955   6.2503   9.7512   4.5982 5.203456 7.759460 
1 1 1   22   21  -15 o   11.600   3.6820 -22.7798   50.907 -22.1941   67.869 -23.5332   76.975   11.235   5.0408   11.965   5.3684 -0.7301989 7.364018 
1 1 1   22   22  -15 o   10.057   3.5084 -195.4792   72.001 -180.4626   93.827 -216.9877  112.292   9.6479   4.7517   10.466   5.1629 -0.8177910 7.016756 
1 1 1   22   23  -15 o   13.050   4.0989 -12.9819   61.731  -9.9673   89.829 -15.6795   84.974   13.322   5.8989   12.777   5.6929 0.5454121 8.197883 
1 1 1   22    0  -16 o   13.959   5.9174   67.257   83.744   34.240  147.926   82.829  101.591   13.732   8.6879   14.187   8.0363 -0.000000 0.000000 
1 1 1   22    1  -16 o   22.332   5.5250  147.882   87.952  138.355  124.531  157.364  124.235   21.872   7.8056   22.792   7.8215 -0.9190712 11.05003 
1 1 1   22    2  -16 o   28.103   4.8521  261.480   76.098  283.306   93.872  219.644  129.964   30.160   5.5951   26.047   7.9289 4.113520 9.704239 
1 1 1   22    3  -16 o   26.334   5.1288  225.262   74.248  231.858   85.608  205.238  149.161   27.202   5.6345   25.466   8.5715 1.736181 10.25762 
1 1 1   22    4  -16 o   21.624   6.3474   55.215   92.529   33.477   99.267  199.222  255.499   16.020   6.6138   27.228   10.836 -11.20798 12.69487 
1 1 1   22    5  -16 o   13.257   4.1070 -10.8573   59.413  -8.4407   91.339 -12.6297   78.223   13.849   6.0460   12.665   5.5602 1.184409 8.213980 
1 1 1   22    6  -16 o   21.116   4.8674  149.551   71.359  191.806   78.373 -55.3409  172.578   24.669   5.6256   17.564   7.9448 7.105036 9.734822 
1 1 1   22    7  -16 f   34.918   4.7130  427.025   85.061  274.866  146.393  504.579  104.514   28.719   8.3355   41.116   4.4012 -12.39702 9.426058 
1 1 1   22    8  -16 f   14.626   4.7218 -65.1137   83.489 -12.9496  143.456 -91.8311  102.667   17.001   7.4948   12.250   5.7454 4.750938 9.443549 
1 1 1   22    9  -16 o   12.976   4.0395 -33.0440   60.753 -85.5022   82.254   29.928   90.120   10.716   5.0618   15.236   6.2968 -4.520481 8.079097 
1 1 1   22   10  -16 o   15.895   5.1636 -85.0585   78.115 -115.5675   85.458   69.930  192.615   10.286   4.9414   21.505   9.0683 -11.21858 10.32719 
1 1 1   22   11  -16 f   25.387   5.1874  141.731   76.062   67.169   86.786  388.724  157.955   16.784   6.4179   33.989   8.1516 -17.20558 10.37483 
1 1 1   22   12  -16 o   10.967   3.7352 -120.8314   66.365 -99.5332   81.215 -163.6331  115.132   10.262   4.8992   11.673   5.6396 -1.411592 7.470424 
1 1 1   22   13  -16 o   19.702   4.5393  121.901   57.952  134.434   69.516   93.346  104.930   20.572   5.6692   18.833   7.0910 1.738798 9.078626 
1 1 1   22   14  -16 o   23.941   4.7527  183.987   69.931  241.309  101.796  132.758   96.233   27.219   6.5539   20.662   6.8846 6.556862 9.505339 
1 1 1   22   15  -16 f   11.505   3.7416 -46.8432   55.301 -49.6707   90.224 -45.1418   69.988   12.304   5.6343   10.706   4.9247 1.597400 7.483214 
1 1 1   22   16  -16 o   22.251   4.3169  148.001   64.142  264.434   94.368   48.016   87.448   28.734   5.8844   15.768   6.3178 12.96607 8.633725 
1 1 1   22   17  -16 o   12.710   4.0217 -29.7853   57.353   10.107   98.855 -50.0262   70.415   14.853   6.3872   10.567   4.8888 4.285935 8.043400 
1 1 1   22   18  -16 o   12.108   3.7725  -7.7246   49.457   1.3671   60.777 -25.5455   85.091   11.621   5.0029   12.594   5.6478 -0.9728670 7.544983 
1 1 1   22   19  -16 o   15.172   3.9049   48.391   52.286  111.123   66.269 -55.0567   85.100   18.689   5.6557   11.654   5.3857 7.034202 7.809809 
1 1 1   22   20  -16 o   34.706   6.8387  393.012   79.210  511.093  367.656  387.264   81.114   33.536   13.105   35.875   3.9149 -2.339245 13.67743 
1 1 1   22   21  -16 o   13.968   4.0891   0.0095   60.088   81.076   83.734 -86.0548   86.277   17.060   6.3518   10.876   5.1514 6.183758 8.178166 
1 1 1   22   22  -16 o   15.161   4.9868  -1.0080   64.572 -119.0903  227.565   9.3319   67.340   17.907   8.4465   12.416   5.3036 5.490442 9.973501 
1 1 1   22    0  -17 o   5.9400   4.3984 -422.9143  122.959 -422.9143  122.959   0.0000   0.0000   5.9400   4.3984   5.9400   4.3984 -0.000000 0.000000 
1 1 1   22    1  -17 o   19.515   5.6275   81.440   87.209  109.869   94.365 -84.9569  228.299   19.461   6.8087   19.569   8.9619 -0.1082840 11.25499 
1 1 1   22    2  -17 o   14.120   4.4094 -16.1094   69.373 -18.4454  109.222 -14.5298   89.817   14.750   6.5190   13.489   5.9393 1.260256 8.818849 
1 1 1   22    3  -17 o   23.057   4.9869  162.468   67.748  187.220  126.425  152.497   80.242   24.202   7.8828   21.913   6.1104 2.289227 9.973743 
1 1 1   22    4  -17 o   19.479   4.9430  106.488   76.373 -28.7560  144.070  159.348   90.070   16.598   7.4028   22.359   6.5522 -5.761290 9.885981 
1 1 1   22    5  -17 o   23.561   4.6653  191.612   69.981   84.716  121.898  244.163   85.468   19.227   7.5371   27.896   5.5004 -8.668859 9.330700 
1 1 1   22    6  -17 o   12.600   4.1624 -93.6771   76.385 -207.5753  129.484 -32.8854   94.598   11.980   5.8326   13.220   5.9399 -1.239998 8.324710 
1 1 1   22    7  -17 o   28.753   4.8494  263.848   76.763  287.015  129.548  251.312   95.295   29.429   7.5767   28.076   6.0549 1.353209 9.698849 
1 1 1   22    8  -17 o   30.133   4.0341  285.772   67.602  301.693   97.530  271.050   93.788   30.977   5.6600   29.289   5.7497 1.688227 8.068108 
1 1 1   22    9  -17 o   10.317   3.6245 -246.0695   79.971 -319.5823  134.770 -206.1169   99.354   10.835   5.3983   9.7986   4.8381 1.036691 7.249022 
1 1 1   22   10  -17 o   34.657   5.8522  416.215  115.773  344.272  177.467  469.516  152.754   31.406   9.1956   37.908   7.2411 -6.502506 11.70434 
1 1 1   22   11  -17 o   24.545   4.9850  196.400   74.781  226.484  107.896  168.589  103.738   26.243   6.9926   22.848   7.1065 3.395107 9.969908 
1 1 1   22   12  -17 o   9.4828   3.2467 -113.7430   52.652 -125.4219   67.919 -96.1546   83.350   8.4542   4.1392   10.511   5.0031 -2.057269 6.493392 
1 1 1   22   13  -17 o   21.918   5.6187  124.154   86.974  217.923  156.043   81.894  104.755   25.607   8.7663   18.229   7.0307 7.378325 11.23736 
1 1 1   22   14  -17 o   24.357   4.7045  194.813   68.293  213.406   95.745  175.556   97.438   25.546   6.4797   23.168   6.8224 2.378016 9.409082 
1 1 1   22   15  -17 o   9.8366   3.3652 -119.3889   57.467 -118.6029   75.592 -120.4654   88.459   9.2953   4.5096   10.378   4.9961 -1.082674 6.730331 
1 1 1   22   16  -17 o   25.970   4.3559  219.339   64.434  243.588   92.959  196.915   89.393   27.416   6.0344   24.523   6.2833 2.893265 8.711705 
1 1 1   22   17  -17 o   12.126   3.8853 -39.7729   58.785 -66.2577   79.351  -7.5563   87.517   10.865   5.0815   13.386   5.8789 -2.520657 7.770653 
1 1 1   22   18  -17 o   24.423   4.2933  171.651   57.714  123.695   69.125  282.019  104.866   19.597   5.7393   29.250   6.3866 -9.653011 8.586547 
1 1 1   22   19  -17 o   15.586   4.3462   54.073   58.137   25.204   91.970   73.286   75.029   14.858   6.2659   16.315   6.0248 -1.456381 8.692474 
1 1 1   22   20  -17 o   7.8620   2.7847 -205.6086   53.909 -249.5588   77.780 -164.9777   74.785   7.4192   3.7498   8.3048   4.1180 -0.8856773 5.569447 
1 1 1   22    0  -18 o   7.9592   5.7303 -217.6509  130.317 -217.6509  130.317   0.0000   0.0000   7.9592   5.7303   7.9592   5.7303 -0.000000 0.000000 
1 1 1   22    1  -18 o   14.544   4.3204   18.419   59.970   31.359   96.787   10.355   76.404   15.685   6.5075   13.403   5.6848 2.282159 8.640862 
1 1 1   22    2  -18 o   36.668   3.6583  388.948   75.593  316.671   95.295  511.622  124.150   32.315   5.1061   41.022   5.2402 -8.707455 7.316503 
1 1 1   22    3  -18 o   11.474   4.0917 -457.5536  116.889 -442.6804  147.062 -483.0692  192.621   10.392   5.2407   12.555   6.2852 -2.162663 8.183453 
1 1 1   22    4  -18 o   29.834   5.3710  292.341   93.057  351.887  138.471  243.298  125.664   32.610   7.5076   27.057   7.6828 5.553032 10.74194 
1 1 1   22    5  -18 o   24.251   5.4220  185.180   84.410  150.710  109.815  234.955  131.962   21.949   7.3548   26.553   7.9687 -4.603626 10.84407 
1 1 1   22    6  -18 o   20.571   5.0256  135.240   76.667 -69.2132  178.807  181.293   84.863   17.404   7.9557   23.739   6.1427 -6.334902 10.05122 
1 1 1   22    7  -18 f   11.472   3.9652 -175.3299   80.022 -252.7870  146.173 -142.1818   95.624   12.371   6.0600   10.573   5.1155 1.798141 7.930448 
1 1 1   22    8  -18 o   20.516   5.7678  102.881   95.264  124.555  108.596   30.512  198.438   20.501   7.2920   20.531   8.9385 -0.3010750E-01 11.53561 
1 1 1   22    9  -18 o   25.315   4.3175  200.267   69.550  325.036  100.161   84.094   96.649   32.600   5.3198   18.029   6.8017 14.57073 8.635021 
1 1 1   22   10  -18 o   14.659   7.1891 -379.8634   71.943 -339.5539  207.469 -385.3731   76.703   14.659   7.1891  ?   ?       ?      ? 
1 1 1   22   11  -18 o   19.245   5.2863   86.005   86.019   39.246  120.419  134.724  122.916   17.207   7.2085   21.282   7.7342 -4.075071 10.57258 
1 1 1   22   12  -18 o   17.005   4.5945   72.006   62.474   56.679   99.374   82.023   80.335   16.798   6.7333   17.212   6.2530 -0.4142208 9.188929 
1 1 1   22   13  -18 o   28.093   5.6714  251.981   88.847  251.981   88.847   0.0000   0.0000   28.093   5.6714  ?   ?       ?      ? 
1 1 1   22   14  -18 o   12.121   4.0431 -95.3962   72.192 -78.7701  112.375 -107.0801   94.203   13.125   6.1077   11.118   5.2993 2.006583 8.086208 
1 1 1   22   15  -18 o   11.377   3.9880 -231.8360   82.195 -152.2259  147.369 -267.7845   99.029   13.856   6.6108   8.8988   4.4623 4.957162 7.975929 
1 1 1   22   16  -18 o   34.788   7.6352  465.440  160.030  501.809  304.995  451.624  187.986   34.356   12.220   35.219   9.1567 -0.8624954 15.27038 
1 1 1   22   17  -18 o   11.306   3.7003 -53.7208   57.129 -51.3045   79.800 -56.2612   81.823   11.294   5.2177   11.318   5.2482 -0.2463627E-01 7.400552 
1 1 1   22   18  -18 o   23.069   5.1738  173.265   70.158  168.365   80.308  189.055  144.173   22.562   6.0422   23.575   8.4002 -1.012571 10.34757 
1 1 1   22   19  -18 o   20.148   5.4561  118.068   78.705  121.509   88.257  104.707  173.936   19.433   6.5931   20.864   8.6953 -1.430532 10.91225 
1 1 1   22    0  -19 o   28.559   6.8222  302.756   96.798  256.382  118.619  395.199  167.475   25.370   8.9227   31.748   10.323 -0.000000 0.000000 
1 1 1   22    1  -19 o   10.837   3.8583 -339.5141   89.804 -403.1586  111.151 -219.8635  152.402   8.4625   4.2991   13.212   6.4082 -4.749291 7.716699 
1 1 1   22    2  -19 f   14.646   4.5509  -9.3433   73.797 -12.4159  111.451  -6.9443   98.479   14.988   6.6067   14.304   6.2604 0.6838226 9.101715 
1 1 1   22    3  -19 o   21.140   5.0729  105.964   71.671  232.718  131.406   52.292   85.509   26.362   7.9611   15.918   6.2896 10.44350 10.14585 
1 1 1   22    4  -19 o   29.199   6.5097  278.447   99.312  277.317  106.753  285.710  270.743   29.244   6.4900   29.153   11.286 0.9123611E-01 13.01942 
1 1 1   22    5  -19 o   19.537   4.9740  111.974   70.397   69.734  128.276  130.178   84.211   18.751   7.6028   20.322   6.4156 -1.570768 9.947959 
1 1 1   22    6  -19 o   16.772   4.9429   36.751   80.580 -68.2946  148.270   80.781   95.993   15.723   7.2084   17.822   6.7652 -2.098948 9.885837 
1 1 1   22    7  -19 o   35.780   3.6191  408.112   69.811  322.379  106.313  473.102   92.563   31.774   6.0135   39.785   4.0284 -8.010414 7.238150 
1 1 1   22    8  -19 o   15.390   4.7119   7.1210   76.617   43.122   92.487 -71.6254  136.785   15.840   6.4433   14.940   6.8768 0.9000015 9.423718 
1 1 1   22    9  -19 o   15.868   4.8488   10.307   81.055   4.4950  121.155   15.016  109.054   16.047   6.9853   15.690   6.7268 0.3564873 9.697640 
1 1 1   22   10  -19 o   11.259   3.8397 -126.6410   69.426 -135.0774  119.651 -122.3590   85.243   12.451   5.9449   10.068   4.8614 2.382472 7.679498 
1 1 1   22   11  -19 o   10.727   3.7506 -233.7997   83.232 -290.9869  135.467 -199.1203  105.492   11.138   5.5262   10.316   5.0725 0.8226204 7.501268 
1 1 1   22   12  -19 o   22.770   5.3439  154.206   78.779  116.011   96.267  231.640  137.071   19.555   6.8750   25.984   8.1831 -6.428921 10.68780 
1 1 1   22   13  -19 o   13.421   4.4586 -82.9095   80.749 -98.5657  146.807 -76.1182   96.690   14.825   6.9263   12.016   5.6163 2.809260 8.917203 
1 1 1   22   14  -19 o   14.128   4.2664   10.577   60.847  -5.7680   79.348   33.907   94.801   12.818   5.6144   15.439   6.4257 -2.620773 8.532891 
1 1 1   22   15  -19 o   12.528   4.0135 -32.9065   62.104 -31.8747   82.763 -34.2362   93.954   12.140   5.4956   12.917   5.8507 -0.7775269 8.026980 
1 1 1   22   16  -19 o   40.955   4.1189  547.601   87.187  500.391  151.226  571.106  106.706   38.565   7.0493   43.345   4.2625 -4.779858 8.237820 
1 1 1   22   17  -19 o   16.634   5.8237 -66.5029   92.085 -276.8326  385.716 -53.7904   94.827   20.920   10.158   12.348   5.6989 8.571826 11.64734 
1 1 1   22    0  -20 o   12.551   5.8255  -5.9549  106.452   36.805  131.034 -88.9565  182.562   13.035   8.2176   12.067   8.2595 -0.000000 0.000000 
1 1 1   22    1  -20 o   28.652   5.7727  274.554  103.394  378.629  152.167  185.293  140.922   33.361   8.0007   23.944   8.3237 9.417957 11.54536 
1 1 1   22    2  -20 o   24.535   5.3277  199.970   82.785  207.094  113.823  191.969  120.625   24.956   7.3807   24.114   7.6854 0.8418407 10.65549 
1 1 1   22    3  -20 o   18.956   4.8604  102.621   69.338   75.604  104.585  123.809   92.618   17.900   6.9911   20.013   6.7542 -2.112997 9.720847 
1 1 1   22    4  -20 o   13.191   4.5128 -205.2180  105.286 -172.7418  149.894 -236.8447  147.921   13.740   6.5857   12.641   6.1718 1.099187 9.025681 
1 1 1   22    5  -20 o   11.593   3.9854 -183.6497   84.579 -226.3183  128.647 -151.1654  112.249   11.556   5.6660   11.630   5.6063 -0.7385445E-01 7.970837 
1 1 1   22    6  -20 o   18.851   5.2107   88.247   80.141   59.575  140.261  102.144   97.651   18.795   7.8187   18.906   6.8901 -0.1113663 10.42139 
1 1 1   22    7  -20 o   12.415   4.0701 -68.4622   69.552 -50.4784  100.638 -84.9060   96.233   13.030   5.9610   11.801   5.5434 1.229308 8.140171 
1 1 1   22    8  -20 o   30.186   4.0022  286.819   67.488  382.606   99.205  204.296   92.079   35.417   4.8499   24.955   6.3678 10.46258 8.004408 
1 1 1   22    9  -20 o   44.826   4.3757  568.135   90.682  756.646  212.846  526.330  100.233   47.831   7.7050   41.820   4.1499 6.010773 8.751491 
1 1 1   22   10  -20 o   15.125   4.5333 -13.3189   70.392   91.019  114.003 -77.6100   89.489   18.834   7.3148   11.415   5.3569 7.419109 9.066607 
1 1 1   22   11  -20 o   36.667   4.5634  399.816   88.256  541.831  163.209  341.128  104.919   40.233   7.2924   33.101   5.4882 7.132210 9.126836 
1 1 1   22   12  -20 o   15.084   5.1322 -163.3236  112.657 -112.7852  214.361 -182.6088  132.418   17.797   8.3325   12.371   5.9939 5.426350 10.26438 
1 1 1   22   13  -20 o   11.689   4.1576 -227.3989   87.585 -467.3883  216.213 -180.2867   95.797   13.564   6.7706   9.8141   4.8273 3.750381 8.315296 
1 1 1   22   14  -20 o   21.627   4.9120  155.223   68.909  156.963  107.686  154.016   89.674   21.735   7.2831   21.520   6.5931 0.2145500 9.824076 
1 1 1   22   15  -20 o   16.229   4.3125   46.030   65.565  135.888   85.325 -83.5237  102.452   20.309   6.4628   12.150   5.7115 8.158373 8.624910 
1 1 1   22    0  -21 o   22.488   7.3981  238.005  106.590  247.570  131.207  219.440  182.788   23.892   9.7007   21.084   11.173 -0.000000 0.000000 
1 1 1   22    1  -21 o   10.398   3.6300 -225.5366   79.074 -198.9004  111.337 -252.6474  112.324   10.739   5.2667   10.057   4.9969 0.6825771 7.259925 
1 1 1   22    2  -21 o   18.450   5.2451   72.325   86.772   31.604  131.120  104.055  115.742   17.375   7.4107   19.525   7.4246 -2.149973 10.49011 
1 1 1   22    3  -21 o   28.463   5.4597  322.588  103.097   20.960  229.942  398.479  115.340   21.111   9.3883   35.814   5.5763 -14.70263 10.91944 
1 1 1   22    4  -21 o   25.661   5.2016  222.777   83.387  161.195  119.486  281.246  116.427   22.339   7.6703   28.982   7.0281 -6.643290 10.40324 
1 1 1   22    5  -21 o   26.570   6.0996  266.305  106.213   31.612  276.747  306.845  115.022   22.694   10.181   30.446   6.7211 -7.752367 12.19912 
1 1 1   22    6  -21 o   16.223   4.8892   21.849   81.936 -24.0443  123.796   57.625  109.303   15.240   6.8248   17.207   7.0027 -1.967093 9.778319 
1 1 1   22    7  -21 o   15.925   4.8946   1.8996   81.995 -28.2867  104.476   50.311  132.307   13.877   6.2381   17.974   7.5441 -4.096223 9.789133 
1 1 1   22    8  -21 o   22.255   5.2234  144.051   74.221  230.946  134.094  105.671   89.117   25.798   8.0887   18.712   6.6111 7.086720 10.44670 
1 1 1   22    9  -21 o   10.498   3.6434 -216.9510   77.034 -110.8963  107.156 -330.3850  110.821   11.959   5.6865   9.0375   4.5565 2.921346 7.286829 
1 1 1   22   10  -21 o   27.560   4.4177  271.005   70.927  150.756  114.807  345.231   90.200   21.547   7.5117   33.574   4.6518 -12.02611 8.835426 
1 1 1   22   11  -21 o   14.684   4.8717 -156.1529  112.215  -1.6378  149.880 -353.2434  169.275   17.072   7.5865   12.296   6.1137 4.775900 9.743329 
1 1 1   22   12  -21 o   18.570   5.3553   78.703   88.113   83.258  109.383   70.285  148.707   18.085   7.1238   19.055   7.9981 -0.9705067 10.71063 
1 1 1   22   13  -21 o   19.926   4.7812   82.911   76.220  248.772  118.858 -32.9331   99.333   26.613   7.4423   13.239   6.0044 13.37445 9.562440 
1 1 1   22    0  -22 o   25.989   7.1982  311.166  115.471  387.364  149.626  198.954  181.573   31.970   9.3322   20.009   10.962 -0.000000 0.000000 
1 1 1   22    1  -22 o   24.641   6.0183  197.299   95.836  184.021  111.840  233.991  185.916   23.374   7.3950   25.908   9.4971 -2.533339 12.03669 
1 1 1   22    2  -22 o   13.593   4.6587 -215.0730  113.948 -317.1235  179.799 -146.5730  147.307   13.301   6.5561   13.885   6.6206 -0.5845366 9.317466 
1 1 1   22    3  -22 o   22.275   5.3454  160.713   83.585  206.891  119.591  116.612  116.871   24.578   7.6278   19.972   7.4907 4.606146 10.69081 
1 1 1   22    4  -22 o   15.058   4.9715 -113.1007  108.777 -199.6380  153.443 -25.6759  154.228   13.365   6.4698   16.752   7.5501 -3.387042 9.942988 
1 1 1   22    5  -22 o   20.763   5.4257  131.989   86.043  132.439  124.695  131.580  118.880   20.845   7.7532   20.680   7.5922 0.1656437 10.85146 
1 1 1   22    6  -22 o   22.144   5.1737  162.115   78.464  202.049  109.969  120.700  111.989   24.312   7.2696   19.976   7.3636 4.335978 10.34745 
1 1 1   22    7  -22 o   17.317   4.9466   60.269   78.216  101.066  109.103   17.131  112.189   18.934   7.2065   15.700   6.7779 3.234031 9.893104 
1 1 1   22    8  -22 o   13.809   4.6755 -124.2886   93.360 -115.0260  175.387 -127.9509  110.282   15.834   7.4524   11.784   5.6482 4.050155 9.350960 
1 1 1   22    9  -22 o   18.863   6.0077 -13.0107  102.814 -47.4584  112.764  156.746  250.325   13.750   6.2974   23.976   10.233 -10.22626 12.01547 
1 1 1   22   10  -22 o   24.920   5.9825  225.682  108.616  291.273  140.729  129.043  170.818   28.337   8.1577   21.502   8.7528 6.835083 11.96490 
1 1 1   22    0  -23 o   11.432   7.6771 -32.2108  143.218 -32.2108  143.218   0.0000   0.0000   11.432   7.6771   11.432   7.6771 -0.000000 0.000000 
1 1 1   22    1  -23 o   34.906   5.8731  434.116  114.454  420.067  145.971  456.539  184.411   34.826   7.4804   34.985   9.0562 -0.1591110 11.74617 
1 1 1   22    2  -23 o   16.915   5.1499   31.461   90.169   10.129  143.792   45.285  115.756   17.020   7.5031   16.811   7.0562 0.2088051 10.29989 
1 1 1   22    3  -23 o   41.016   5.3851  577.072  122.158  633.461  185.348  533.768  162.426   42.630   7.8161   39.402   7.4097 3.228580 10.77011 
1 1 1   22    4  -23 o   25.641   6.9986  214.932  122.251  279.767  299.847  202.006  133.884   27.302   11.401   23.980   8.1205 3.321507 13.99722 
1 1 1   23    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   15    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   17    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   19    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   20    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   21    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   22    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   23    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   24    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   25    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   26    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   27    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    0   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   15   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   17   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   19   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   20   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   21   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   22   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   23   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   24   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   25   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   26   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   27   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   23    3   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   15   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   17   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   19   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   20   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   21   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   22   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   23   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   24   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   25   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   26   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   27   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   23    8   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   23   10   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   23   12   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   23   15   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   23   20   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   21   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   22   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   23   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   24   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   25   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   26   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   27   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   23    5   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   23    9   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   23   18   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   19   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   20   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   23   22   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   23   15   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   17   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   19   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   23   25   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   26   -5 o   28.119   8.3054  302.169  224.361  277.940  303.943  331.179  332.576   27.464   11.474   28.774   12.011 -1.309929 16.61081 
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1 1 1   23    9   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   15   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   17   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   19   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   20   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   21   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   22   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   23   -6 o   22.731   9.6573  103.912  221.100  103.912  221.100   0.0000   0.0000   22.731   9.6573  ?   ?       ?      ? 
1 1 1   23   24   -6 o   48.542   12.599  997.396  356.283  997.396  356.283   0.0000   0.0000   48.542   12.599  ?   ?       ?      ? 
1 1 1   23   25   -6 o   17.471   6.1499 -619.3326  245.182 -885.7444  350.706 -364.6404  342.906   15.780   7.9739   19.163   9.3650 -3.383525 12.29979 
1 1 1   23   26   -6 o   32.181   8.0227  314.160  247.088 -293.3808  350.271  915.939  348.606   19.779   9.6212   44.583   12.841 -24.80409 16.04531 
1 1 1   23    0   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   15   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   17   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   19   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   20   -7 o   13.262   6.6595 -577.5432  224.298 -577.5432  224.298   0.0000   0.0000   13.262   6.6595  ?   ?       ?      ? 
1 1 1   23   21   -7 f   15.385   7.5254 -335.7284  222.973 -335.7284  222.973   0.0000   0.0000   15.385   7.5254  ?   ?       ?      ? 
1 1 1   23   22   -7 o   71.123   5.6254  1571.48  231.074  1571.48  231.074   0.0000   0.0000   71.123   5.6254  ?   ?       ?      ? 
1 1 1   23   23   -7 o   31.984   5.4084  203.051  128.967  784.266  223.412 -87.4253  157.940   48.308   8.0076   15.660   7.2719 32.64792 10.81678 
1 1 1   23   24   -7 o   21.791   6.1186  103.463  118.618   6.7867  155.824  236.676  182.915   17.654   7.7953   25.929   9.4330 -8.275461 12.23719 
1 1 1   23   25   -7 o   35.172   8.9141 -228.9194  139.687 -1229.0909  219.112  455.899  181.308  ?   ?    35.172   8.9141      ?      ? 
1 1 1   23    0   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12   -8 o   19.710   9.0571 -104.5056  235.906   0.0000   0.0000 -104.5056  235.906  ?   ?    19.710   9.0571      ?      ? 
1 1 1   23   13   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   15   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16   -8 o   27.539   5.9162 -16.0362  164.421  615.189  232.352 -649.1598  232.701   41.867   9.7851   13.210   6.6529 28.65683 11.83250 
1 1 1   23   17   -8 o   51.349   7.8662  854.326  233.283  854.326  233.283   0.0000   0.0000   51.349   7.8662  ?   ?       ?      ? 
1 1 1   23   18   -8 o   56.357   4.8902  962.092  159.170  962.092  159.170   0.0000   0.0000   56.357   4.8902  ?   ?       ?      ? 
1 1 1   23   19   -8 o   11.959   6.0804 -787.0463  225.708 -787.0463  225.708   0.0000   0.0000   11.959   6.0804  ?   ?       ?      ? 
1 1 1   23   20   -8 o   13.116   6.3906 -239.2807  156.280   0.0000   0.0000 -239.2807  156.280  ?   ?    13.116   6.3906      ?      ? 
1 1 1   23   21   -8 o   29.604   5.6706  276.959  142.321 -198.7127  224.560  596.291  183.992   17.142   8.1737   42.067   7.8622 -24.92449 11.34125 
1 1 1   23   22   -8 o   42.209   5.5401  571.972  129.681  739.914  213.275  473.457  163.347   47.157   7.8308   37.260   7.8390 9.897167 11.08025 
1 1 1   23   23   -8 o   20.260   6.1438   39.009  140.303 -301.5660  275.405  158.379  163.047   17.718   8.5984   22.803   8.7780 -5.085354 12.28766 
1 1 1   23   24   -8 o   40.819   5.5426  530.943  129.186  1008.90  209.490  237.650  164.104   55.830   6.4970   25.808   8.9817 30.02193 11.08518 
1 1 1   23   25   -8 o   14.117   4.8077 -181.3408  116.085 -178.9086  166.128 -183.6616  162.276   14.255   6.8587   13.979   6.7390 0.2765970 9.615383 
1 1 1   23    0   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8   -9 o   9.3195   4.5258 -126.6529   76.639 -126.6529   76.639   0.0000   0.0000   9.3195   4.5258  ?   ?       ?      ? 
1 1 1   23    9   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11   -9 o   26.377   8.8372  222.422  158.544  222.422  158.544   0.0000   0.0000   26.377   8.8372  ?   ?       ?      ? 
1 1 1   23   12   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14   -9 o   18.459   7.9255   23.208  151.777   23.208  151.777   0.0000   0.0000   18.459   7.9255  ?   ?       ?      ? 
1 1 1   23   15   -9 o   35.420   10.192  448.943  219.701  448.943  219.701   0.0000   0.0000   35.420   10.192  ?   ?       ?      ? 
1 1 1   23   16   -9 o   19.889   8.4275   50.412  167.648   50.412  167.648   0.0000   0.0000   19.889   8.4275  ?   ?       ?      ? 
1 1 1   23   17   -9 o   12.902   4.4690 -277.8946  104.057 -374.3484  132.886 -125.0007  167.307   10.134   5.0936   15.670   7.3446 -5.536546 8.937962 
1 1 1   23   18   -9 o   15.604   7.0336 -39.0047  133.895 -39.0047  133.895   0.0000   0.0000   15.604   7.0336  ?   ?       ?      ? 
1 1 1   23   19   -9 f   19.509   5.7048   49.844  106.805 -20.7083  142.491  140.310  161.353   16.536   7.3694   22.481   8.7104 -5.945871 11.40962 
1 1 1   23   20   -9 o   26.914   8.5190  249.222  148.406  249.222  148.406   0.0000   0.0000   26.914   8.5190  ?   ?       ?      ? 
1 1 1   23   21   -9 o   23.038   6.1203  160.986  110.100  139.381  148.560  187.311  163.990   21.937   8.3948   24.139   8.9085 -2.201988 12.24068 
1 1 1   23   22   -9 o   17.428   5.5164 -15.9477  114.232  -8.0494  158.982 -24.3774  164.243   17.503   7.7936   17.353   7.8091 0.1494370 11.03274 
1 1 1   23   23   -9 o   38.259   6.9864  489.193  148.684  489.193  148.684   0.0000   0.0000   38.259   6.9864  ?   ?       ?      ? 
1 1 1   23   24   -9 o   13.031   4.6866 -620.3475  158.544 -664.2675  282.686 -600.1924  191.498   14.716   7.4010   11.347   5.7518 3.368671 9.373264 
1 1 1   23    0  -10 o   24.234   6.6063  206.769   79.934   0.0000   0.0000  206.769   79.934   24.234   6.6063   24.234   6.6063 -0.000000 0.000000 
1 1 1   23    1  -10 o   17.494   4.2774   80.913   54.848   38.989   78.125  121.661   77.022   15.028   5.9884   19.960   6.1095 -4.932322 8.554883 
1 1 1   23    2  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4  -10 o   17.357   7.7176 -32.9900  155.333 -32.9900  155.333   0.0000   0.0000   17.357   7.7176  ?   ?       ?      ? 
1 1 1   23    5  -10 o   29.371   8.6850  281.966  157.617  281.966  157.617   0.0000   0.0000   29.371   8.6850  ?   ?       ?      ? 
1 1 1   23    6  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8  -10 o   24.038   6.7031  183.704   96.561  183.704   96.561   0.0000   0.0000   24.038   6.7031  ?   ?       ?      ? 
1 1 1   23    9  -10 f   11.919   5.4242 -43.6366   81.941 -43.6366   81.941   0.0000   0.0000   11.919   5.4242  ?   ?       ?      ? 
1 1 1   23   10  -10 o   11.177   5.1932 -64.3861   80.725 -64.3861   80.725   0.0000   0.0000   11.177   5.1932  ?   ?       ?      ? 
1 1 1   23   11  -10 o   51.239   4.7308  786.751  139.995  786.751  139.995   0.0000   0.0000   51.239   4.7308  ?   ?       ?      ? 
1 1 1   23   12  -10 o   18.278   8.7520 -269.3207  263.260 -269.3207  263.260   0.0000   0.0000   18.278   8.7520  ?   ?       ?      ? 
1 1 1   23   13  -10 o   24.004   6.2055   41.430  125.545  390.980  216.884 -134.7184  153.961   33.200   10.267   14.807   6.9730 18.39390 12.41108 
1 1 1   23   14  -10 o   44.779   5.6448  631.326  140.330  855.249  222.065  482.454  181.066   51.780   7.4256   37.778   8.5038 14.00219 11.28952 
1 1 1   23   15  -10 o   22.141   6.0345   55.407  143.190 -491.4834  268.594  272.548  169.245   16.006   7.9126   28.276   9.1132 -12.27025 12.06890 
1 1 1   23   16  -10 o   16.875   7.4328  -7.7102  140.801  -7.7102  140.801   0.0000   0.0000   16.875   7.4328  ?   ?       ?      ? 
1 1 1   23   17  -10 o   19.780   6.0259   18.871  131.999 -163.0962  222.084  118.269  164.137   17.716   8.3528   21.844   8.6877 -4.128294 12.05178 
1 1 1   23   18  -10 o   33.561   7.6257  388.209  183.321  666.674  274.071  162.754  246.609   41.893   11.136   25.229   10.421 16.66377 15.25138 
1 1 1   23   19  -10 o   25.351   5.8054 -52.0515  132.866  549.108  224.160 -377.6477  164.969   38.739   9.9628   11.964   5.9625 26.77495 11.61071 
1 1 1   23   20  -10 o   19.600   6.1504   12.232  134.171  -9.4161  227.297   23.809  166.221   20.425   9.1893   18.775   8.1773 1.649513 12.30085 
1 1 1   23   21  -10 o   41.720   5.9043  547.274  142.264  547.274  142.264   0.0000   0.0000   41.720   5.9043  ?   ?       ?      ? 
1 1 1   23   22  -10 o   40.071   6.1556  511.532  142.459  511.532  142.459   0.0000   0.0000   40.071   6.1556  ?   ?       ?      ? 
1 1 1   23   23  -10 o   41.607   6.8721  610.180  147.995  769.023  286.727  552.494  172.790   43.267   11.338   39.946   7.7694 3.321430 13.74420 
1 1 1   23    0  -11 o   23.224   12.151  253.645  214.154   0.0000   0.0000  253.645  214.154   23.224   12.151   23.224   12.151 -0.000000 0.000000 
1 1 1   23    1  -11 o   28.048   6.0249  128.954  151.208 -303.8588  216.585  540.503  211.197   15.875   7.6856   40.221   9.2806 -24.34529 12.04978 
1 1 1   23    2  -11 o   20.886   5.4750   83.371   82.883   34.818   98.071  204.729  155.048   16.078   6.5984   25.694   8.7386 -9.615261 10.94994 
1 1 1   23    3  -11 o   32.271   5.3036  312.898   98.848  312.898   98.848   0.0000   0.0000   32.271   5.3036  ?   ?       ?      ? 
1 1 1   23    4  -11 o   31.995   6.1818  352.201  135.867   87.750  210.946  539.683  177.614   23.071   9.5923   40.919   7.8005 -17.84755 12.36361 
1 1 1   23    5  -11 o   13.607   5.9153  -6.5184   86.652  -6.5184   86.652   0.0000   0.0000   13.607   5.9153  ?   ?       ?      ? 
1 1 1   23    6  -11 o   24.808   10.520   93.249  261.525   93.249  261.525   0.0000   0.0000   24.808   10.520  ?   ?       ?      ? 
1 1 1   23    7  -11 o   18.585   5.8685 -54.7536  133.953 -213.3258  213.689   47.894  171.926   16.881   8.0281   20.288   8.5621 -3.407047 11.73707 
1 1 1   23    8  -11 o   12.537   4.4615 -503.4695  133.322 -453.1970  215.436 -534.6722  169.726   14.085   6.9851   10.989   5.5524 3.096200 8.923059 
1 1 1   23    9  -11 o   33.290   4.5568  331.145   87.611   0.0000   0.0000  331.145   87.611  ?   ?    33.290   4.5568      ?      ? 
1 1 1   23   10  -11 f   18.994   6.0057   11.181   88.614   32.098  266.087   8.5712   93.979   23.335   10.250   14.653   6.2624 8.681870 12.01141 
1 1 1   23   11  -11 f   23.389   6.3327   44.490  128.309  339.405  219.094 -109.4572  158.295   31.208   10.387   15.569   7.2465 15.63855 12.66538 
1 1 1   23   12  -11 o   31.598   6.1652  254.279  123.174  630.140  221.341   85.669  148.249   42.879   9.2124   20.317   8.1957 22.56219 12.33039 
1 1 1   23   13  -11 o   23.054   8.7036  151.181  158.326   0.0000   0.0000  151.181  158.326  ?   ?    23.054   8.7036      ?      ? 
1 1 1   23   14  -11 o   17.159   5.8230 -342.3889  166.531 -571.8588  221.542 -44.3018  252.502   13.237   6.6426   21.082   9.5659 -7.845325 11.64610 
1 1 1   23   15  -11 o   11.579   5.7146 -274.1386  138.126   0.0000   0.0000 -274.1386  138.126  ?   ?    11.579   5.7146      ?      ? 
1 1 1   23   16  -11 o   25.720   6.8767  141.810  130.852   51.173  153.276  385.393  251.273   19.204   8.0933   32.236   11.120 -13.03209 13.75332 
1 1 1   23   17  -11 o   29.387   7.5658  297.197  167.290  223.109  225.025  388.737  250.130   26.569   10.289   32.204   11.095 -5.634445 15.13155 
1 1 1   23   18  -11 o   24.135   5.7725  174.886  102.268  292.187  149.673   72.167  140.062   29.031   8.4290   19.238   7.8891 9.793917 11.54493 
1 1 1   23   19  -11 o   38.596   6.4578  512.578  137.475  610.333  229.793  458.087  171.564   40.834   9.8562   36.358   8.3468 4.476440 12.91561 
1 1 1   23   20  -11 o   19.710   5.8124   56.915  109.644  -0.6168  142.085  141.609  172.394   16.903   7.4547   22.517   8.9199 -5.614347 11.62485 
1 1 1   23   21  -11 o   13.971   6.6175 -125.9048  142.366 -125.9048  142.366   0.0000   0.0000   13.971   6.6175  ?   ?       ?      ? 
1 1 1   23   22  -11 o   23.191   8.5898  177.432  152.742  177.432  152.742   0.0000   0.0000   23.191   8.5898  ?   ?       ?      ? 
1 1 1   23   23  -11 f   19.991   5.7610   34.328  110.948  237.884  179.304 -91.9616  141.232   25.557   9.3330   14.425   6.7566 11.13189 11.52206 
1 1 1   23    0  -12 o   6.1433   4.4840 -222.3228   95.729   0.0000   0.0000 -222.3228   95.729   6.1433   4.4840   6.1433   4.4840 -0.000000 0.000000 
1 1 1   23    1  -12 o   14.346   4.5984   0.2496   60.058   27.844   62.656 -311.8701  210.723   13.281   5.3384   15.411   7.4888 -2.130731 9.196773 
1 1 1   23    2  -12 o   15.944   5.3943 -46.5154   72.769 -135.5863  263.452 -39.1586   75.714   20.371   9.4356   11.518   5.2309 8.852592 10.78854 
1 1 1   23    3  -12 f   18.523   5.6816   50.258   65.064 -55.5812  264.249   57.088   67.131   21.756   9.8370   15.289   5.6883 6.467237 11.36329 
1 1 1   23    4  -12 o   51.531   5.5655  843.511  160.157  695.390  217.781  1017.97  236.349   45.977   8.5150   57.085   7.1688 -11.10792 11.13090 
1 1 1   23    5  -12 o   33.511   5.8354  290.129   92.727  548.130  219.474  234.069  102.306   39.995   9.6191   27.027   6.6092 12.96889 11.67087 
1 1 1   23    6  -12 o   22.064   5.7858   38.309   58.909  347.018  218.176   14.033   61.181   31.725   10.356   12.402   5.1620 19.32288 11.57163 
1 1 1   23    7  -12 o   13.368   5.9116 -18.8347   89.943   0.0000   0.0000 -18.8347   89.943  ?   ?    13.368   5.9116      ?      ? 
1 1 1   23    8  -12 o   18.603   5.9945 -33.8199   74.303  141.371  269.191 -48.2682   77.306   25.870   10.803   11.336   5.2000 14.53374 11.98897 
1 1 1   23    9  -12 o   13.518   4.6738 -234.9612  111.663 -459.8800  220.174 -157.0780  129.561   14.190   7.0414   12.846   6.1479 1.344787 9.347599 
1 1 1   23   10  -12 o   34.662   7.6913  396.532  149.946   0.0000   0.0000  396.532  149.946  ?   ?    34.662   7.6913      ?      ? 
1 1 1   23   11  -12 o   30.581   7.4820  269.983  163.697  536.248  274.281  122.668  204.016   37.780   11.522   23.383   9.5473 14.39745 14.96391 
1 1 1   23   12  -12 o   25.236   6.7064  194.490  131.303  143.024  224.907  221.102  161.725   24.484   10.014   25.987   8.9236 -1.502356 13.41288 
1 1 1   23   13  -12 o   33.092   7.0139  363.455  116.303  356.170  125.274  408.923  312.969   33.144   6.7732   33.040   12.284 0.1041603 14.02772 
1 1 1   23   14  -12 o   42.455   7.7434  635.666  184.369  540.571  227.562  817.343  314.536   38.686   10.083   46.223   11.755 -7.536331 15.48688 
1 1 1   23   15  -12 o   42.288   6.3318  560.360  154.641  560.360  154.641   0.0000   0.0000   42.288   6.3318  ?   ?       ?      ? 
1 1 1   23   16  -12 f   24.903   6.8712  178.476  117.019  185.264  126.300  137.323  310.996   23.803   7.8850   26.003   11.255 -2.200386 13.74247 
1 1 1   23   17  -12 o   24.442   7.2353  121.206  183.595  253.199  228.275 -120.5616  308.945   27.423   10.427   21.461   10.034 5.961815 14.47052 
1 1 1   23   18  -12 o   29.136   7.0251  288.702  131.154  259.426  154.311  364.882  248.923   27.278   8.6924   30.995   11.038 -3.717524 14.05013 
1 1 1   23   19  -12 f   21.329   6.5767   37.154  146.657 -25.3873  182.653  150.635  246.038   18.211   8.2112   24.447   10.276 -6.236078 13.15347 
1 1 1   23   20  -12 o   13.152   4.4967 -191.9841  104.243 -162.1751  143.219 -225.5683  152.017   13.379   6.4192   12.925   6.2987 0.4540911 8.993306 
1 1 1   23   21  -12 o   26.877   6.1117  259.141  109.067  307.226  154.294  211.116  154.196   29.109   8.5888   24.645   8.6973 4.463938 12.22341 
1 1 1   23   22  -12 o   21.265   6.6671   64.933  156.644  112.995  182.258 -70.9173  306.422   21.358   8.9011   21.172   9.9284 0.1855907 13.33424 
1 1 1   23    0  -13 o   21.338   5.5090  180.074   62.925  158.649   86.240  204.467   92.019   19.567   7.8510   23.108   7.7302 -0.000000 0.000000 
1 1 1   23    1  -13 o   10.158   3.4553 -125.3297   59.255 -77.7403   87.683 -165.3318   80.390   11.408   5.3373   8.9086   4.3897 2.499349 6.910552 
1 1 1   23    2  -13 o   12.076   4.1165 -92.6047   59.485 -86.8839  143.785 -93.7860   65.339   15.220   7.0220   8.9311   4.2981 6.289183 8.232975 
1 1 1   23    3  -13 o   22.292   3.8888  152.213   48.688  177.865   79.231  136.649   61.716   23.695   5.8295   20.889   5.1486 2.806131 7.777628 
1 1 1   23    4  -13 f   19.321   4.0873  113.184   53.457   46.833   78.172  171.465   73.264   15.317   6.0259   23.324   5.5239 -8.007262 8.174642 
1 1 1   23    5  -13 o   15.633   4.4248   41.071   61.007   66.492   89.235   18.762   83.595   16.931   6.4997   14.335   6.0058 2.595262 8.849604 
1 1 1   23    6  -13 o   17.069   5.5052 -26.5935   82.625   11.866  223.996 -32.6507   88.894   21.336   9.3871   12.801   5.7543 8.534783 11.01041 
1 1 1   23    7  -13 o   18.382   5.2633   56.895   87.800   18.496  120.878   99.781  127.743   16.669   7.1125   20.096   7.7602 -3.426704 10.52660 
1 1 1   23    8  -13 o   16.862   5.0547   6.6923   90.838   83.978  119.627 -98.5616  139.604   19.084   7.4705   14.640   6.8111 4.443661 10.10938 
1 1 1   23    9  -13 o   15.509   5.4415 -161.4312   86.334 -82.9386  274.851 -170.0235   90.937   21.312   9.7871   9.7051   4.7595 11.60736 10.88299 
1 1 1   23   10  -13 o   32.638   5.0171  363.285   80.235  381.897   91.399  300.750  167.535   35.689   4.4343   29.587   9.0013 6.101595 10.03422 
1 1 1   23   11  -13 o   21.172   4.9371  138.261   69.760  158.170  105.046  122.554   93.306   22.288   7.1792   20.055   6.7791 2.232853 9.874107 
1 1 1   23   12  -13 o   17.396   4.5086   80.054   58.432   94.354   91.689   70.274   75.824   18.397   6.6807   16.395   6.0562 2.001646 9.017179 
1 1 1   23   13  -13 o   8.8295   3.1241 -241.7378   65.946 -208.1810   85.193 -291.9047  104.165   8.6180   4.2933   9.0411   4.5396 -0.4231176 6.248237 
1 1 1   23   14  -13 o   19.851   4.4548  120.318   57.936  156.745   86.350   90.493   78.134   22.035   6.4036   17.667   6.1948 4.367733 8.909594 
1 1 1   23   15  -13 o   9.3722   3.3149 -272.1731   74.695 -264.2489  108.350 -279.3498  103.114   9.6522   4.8138   9.0923   4.5585 0.5598021 6.629715 
1 1 1   23   16  -13 o   13.224   4.2027 -27.0278   65.971 -56.8613  108.034  -9.2875   83.308   13.394   6.1453   13.055   5.7346 0.3389025 8.405354 
1 1 1   23   17  -13 o   12.709   4.2896 -109.5739   74.236 -73.7563  144.494 -122.4188   86.530   15.260   7.0398   10.159   4.9035 5.100563 8.579209 
1 1 1   23   18  -13 o   21.668   4.5602   93.778   79.135 -74.4027  105.064  314.287  120.304   12.676   5.9013   30.660   6.9539 -17.98338 9.120403 
1 1 1   23   19  -13 f   10.677   3.7860 -320.0179   92.844 -324.2282  117.211 -312.9274  152.106   9.5312   4.7897   11.824   5.8645 -2.292593 7.571942 
1 1 1   23   20  -13 o   44.763   6.3220  645.081  163.439   0.0000   0.0000  645.081  163.439  ?   ?    44.763   6.3220      ?      ? 
1 1 1   23   21  -13 o   10.966   3.8809 -323.8031   95.690 -231.5184  149.362 -388.0499  124.624   12.580   6.1546   9.3522   4.7292 3.227442 7.761704 
1 1 1   23    0  -14 o   9.6706   4.8384 -151.3530  103.251 -253.4896  190.655 -108.9662  122.821   10.207   7.2793   9.1345   6.3760 -0.000000 0.000000 
1 1 1   23    1  -14 o   17.253   5.6688 -11.5639   71.939 -10.1464   74.697 -29.7075  267.243   12.438   5.4476   22.068   9.9431 -9.630660 11.33760 
1 1 1   23    2  -14 o   28.481   4.8792  340.031   68.030  378.258   72.273   42.843  201.513   35.796   3.4958   21.166   9.1108 14.63055 9.758425 
1 1 1   23    3  -14 o   15.898   4.1421   64.867   49.477   66.133   63.842   62.964   78.291   15.636   5.5879   16.160   6.1157 -0.5239468 8.284107 
1 1 1   23    4  -14 o   15.401   4.7983  -5.4712   77.621 -34.3298  143.069   6.5669   92.403   16.370   7.3335   14.431   6.1897 1.938833 9.596540 
1 1 1   23    5  -14 o   14.397   7.0364 -344.7553   56.330 -347.9224   58.874 -310.4778  193.688  ?   ?    14.397   7.0364      ?      ? 
1 1 1   23    6  -14 o   15.588   4.4619   41.927   61.726   17.483  101.484   56.280   77.764   15.432   6.5490   15.744   6.0617 -0.3112593 8.923750 
1 1 1   23    7  -14 o   15.961   4.8712 -10.7826   66.685 -35.7758   74.502   89.918  149.545   11.460   5.1984   20.463   8.2396 -9.003404 9.742420 
1 1 1   23    8  -14 o   10.265   3.5274 -164.2368   58.542 -46.5423  100.816 -224.1111   71.907   13.249   6.0242   7.2822   3.6714 5.966441 7.054800 
1 1 1   23    9  -14 o   10.002   3.3882 -90.0275   50.134 -99.6915   60.528 -68.9097   89.475   8.2722   4.0183   11.732   5.4564 -3.459929 6.776361 
1 1 1   23   10  -14 o   15.125   4.5332   32.185   58.111   52.172   62.863 -85.2205  152.356   14.632   5.4926   15.618   7.2134 -0.9855757 9.066459 
1 1 1   23   11  -14 f   11.808   4.0576 -134.3690   74.730 -103.5604   85.427 -234.8007  154.239   10.520   5.0233   13.096   6.3737 -2.575555 8.115281 
1 1 1   23   12  -14 o   14.763   4.1225   43.599   52.121   30.631   77.113   54.507   70.721   14.331   5.8626   15.194   5.7974 -0.8630266 8.245023 
1 1 1   23   13  -14 f   28.719   4.9337  289.917   76.737  318.361   88.886  206.680  152.054   32.407   4.7490   25.030   8.6493 7.377554 9.867326 
1 1 1   23   14  -14 o   18.937   4.4244  110.603   56.219  106.349   78.005  115.200   81.096   18.623   6.1981   19.252   6.3154 -0.6293755 8.848770 
1 1 1   23   15  -14 o   29.251   6.0956  268.934  106.577  424.261  186.305  193.376  129.939   34.384   9.2007   24.117   7.9982 10.26732 12.19119 
1 1 1   23   16  -14 o   15.389   5.0035 -26.3509   70.494   0.4038  188.958 -30.6766   75.979   19.105   8.5025   11.674   5.2769 7.431126 10.00692 
1 1 1   23   17  -14 o   12.692   3.9220 -30.5079   56.560 -85.6352   74.476   44.611   86.938   9.9142   4.7217   15.470   6.2636 -5.555645 7.843966 
1 1 1   23   18  -14 o   16.690   4.9963   49.291   69.719 -70.2777  185.923   68.856   75.207   17.292   7.9804   16.087   6.0138 1.205261 9.992580 
1 1 1   23   19  -14 o   10.829   3.5971 -71.2912   57.266 -62.0413   82.646 -79.8337   79.422   11.200   5.2207   10.457   4.9500 0.7432203 7.194296 
1 1 1   23   20  -14 o   21.164   5.5591   79.177   63.066  293.471  186.972   51.667   66.992   27.733   9.5907   14.594   5.6242 13.13873 11.11819 
1 1 1   23    0  -15 o   39.798   7.2824  578.424  142.801  592.786  186.493  558.067  222.027   41.671   8.8078   37.926   11.600 -0.000000 0.000000 
1 1 1   23    1  -15 o   11.131   3.7732 -136.8233   65.775 -57.3272  107.552 -184.3199   83.134   13.448   6.1560   8.8133   4.3650 4.634918 7.546453 
1 1 1   23    2  -15 o   10.228   3.6330 -359.8965   93.035 -325.1336  121.129 -409.9066  145.284   9.8805   4.9519   10.576   5.3172 -0.6955690 7.265943 
1 1 1   23    3  -15 o   11.341   3.8639 -152.3600   74.665 -102.1002  110.424 -194.6937  101.343   12.556   5.9106   10.127   4.9782 2.428397 7.727755 
1 1 1   23    4  -15 o   22.464   6.0739   95.502   59.255   86.454   60.991  247.704  250.142   16.933   5.4721   27.994   10.846 -11.06109 12.14785 
1 1 1   23    5  -15 o   9.1866   4.6441 -360.8630   66.103 -350.1035   79.294 -385.3763  119.686  ?   ?    9.1866   4.6441      ?      ? 
1 1 1   23    6  -15 o   16.851   4.3879   74.955   56.120   79.030   82.199   71.398   76.807   17.188   6.3128   16.513   6.0962 0.6749096 8.775810 
1 1 1   23    7  -15 o   10.573   3.5444 -89.3320   58.032 -69.7806   77.292 -114.5959   87.861   10.656   4.9937   10.489   5.0313 0.1669846 7.088790 
1 1 1   23    8  -15 o   14.560   4.3912   10.814   65.405  -6.1197   92.902   27.454   92.096   13.938   6.0907   15.182   6.3273 -1.244250 8.782488 
1 1 1   23    9  -15 o   23.550   4.0494  177.852   55.784  124.066   78.339  233.180   79.455   19.854   6.1756   27.246   5.2395 -7.392788 8.098838 
1 1 1   23   10  -15 o   11.592   3.7373 -43.7201   55.531 -21.3486   80.616 -63.9188   76.602   12.441   5.5440   10.742   5.0135 1.699007 7.474693 
1 1 1   23   11  -15 o   17.620   5.7734 -43.3159   74.726 -57.6421   78.101  111.772  256.970   11.048   5.1244   24.191   10.347 -13.14338 11.54687 
1 1 1   23   12  -15 o   28.705   3.4526  254.378   55.825  277.227   79.190  231.807   78.709   30.288   4.5271   27.122   5.2142 3.165913 6.905295 
1 1 1   23   13  -15 o   17.801   5.0037   73.271   65.889   80.260   72.883   42.010  154.144   16.792   5.9737   18.809   8.0289 -2.016726 10.00746 
1 1 1   23   14  -15 o   27.808   3.8641  247.055   60.414  301.815   84.522  189.854   86.386   31.514   4.6439   24.102   6.1774 7.411947 7.728278 
1 1 1   23   15  -15 o   12.051   3.8257 -25.0324   55.369 -20.3078   76.421 -30.2532   80.334   12.063   5.3850   12.039   5.4355 0.2371693E-01 7.651356 
1 1 1   23   16  -15 o   20.139   4.6087  129.688   59.966  128.595   98.938  130.322   75.393   20.208   6.9773   20.071   6.0232 0.1371651 9.217471 
1 1 1   23   17  -15 o   22.485   5.4115  166.629   74.166  175.389   81.205  122.572  182.116   23.074   6.0275   21.895   8.9894 1.178999 10.82308 
1 1 1   23   18  -15 o   11.112   3.9599 -214.0660   71.699 -228.6819   80.181 -155.7413  160.171   7.8650   3.9536   14.359   6.8624 -6.494354 7.919799 
1 1 1   23   19  -15 o   10.807   3.5433 -88.8429   55.942   4.9316   81.128 -173.8495   77.242   13.248   5.7414   8.3654   4.1543 4.882290 7.086689 
1 1 1   23    0  -16 o   16.066   9.2094  110.398  135.567  110.398  135.567   0.0000   0.0000   16.066   9.2094   16.066   9.2094 -0.000000 0.000000 
1 1 1   23    1  -16 o   9.4257   3.2582 -149.5943   59.070 -121.0351   79.643 -184.5122   88.064   9.6376   4.6645   9.2139   4.5504 0.4237413 6.516367 
1 1 1   23    2  -16 o   28.454   4.2531  256.931   67.539  230.784   91.132  288.791  100.597   26.818   6.0302   30.089   5.9993 -3.270811 8.506151 
1 1 1   23    3  -16 o   19.248   6.8113  108.313   94.634   0.0000   0.0000  108.313   94.634  ?   ?    19.248   6.8113      ?      ? 
1 1 1   23    4  -16 o   21.697   5.3934  135.314   71.015  146.029  166.803  132.941   78.483   22.931   8.8642   20.463   6.1465 2.468517 10.78671 
1 1 1   23    5  -16 o   19.102   5.9518  -8.3912   60.833 -22.6371   62.618  230.793  256.580   10.815   4.8479   27.388   10.872 -16.57301 11.90364 
1 1 1   23    6  -16 o   18.073   4.7511   75.329   69.262  140.090  101.683   19.275   94.601   21.153   7.0773   14.993   6.3405 6.160462 9.502142 
1 1 1   23    7  -16 o   22.241   4.5555  143.565   66.951  256.252  102.578   59.935   88.369   28.064   6.4624   16.418   6.4225 11.64527 9.111005 
1 1 1   23    8  -16 o   17.618   4.2096   94.622   51.044  112.060   62.369   59.250   88.829   18.842   5.4326   16.394   6.4318 2.448177 8.419134 
1 1 1   23    9  -16 o   28.056   3.4309  256.813   51.343  306.502   66.864  185.425   80.146   32.115   3.6050   23.996   5.8386 8.118761 6.861829 
1 1 1   23   10  -16 o   9.2983   3.2143 -164.6832   56.763 -244.9579   77.441 -71.4828   83.443   7.4865   3.7788   11.110   5.2007 -3.623740 6.428592 
1 1 1   23   11  -16 o   9.0637   3.2393 -249.1968   66.254 -284.4356  123.454 -234.9420   78.519   10.436   5.1940   7.6915   3.8724 2.744509 6.478660 
1 1 1   23   12  -16 o   11.867   3.7668 -46.2539   51.674 -82.7431   63.506   25.237   88.891   8.9553   4.2908   14.779   6.1923 -5.823251 7.533637 
1 1 1   23   13  -16 o   16.114   5.6136 -228.9494   68.649 -257.8294   71.062  174.813  265.707   6.7972   3.4515   25.432   10.684 -18.63435 11.22725 
1 1 1   23   14  -16 o   10.202   3.5125 -146.4070   62.754 -96.8631  100.557 -178.0094   80.312   11.796   5.5797   8.6082   4.2682 3.188241 7.025037 
1 1 1   23   15  -16 o   15.677   4.5333   46.709   61.399   20.290  116.367   56.901   72.279   16.094   6.9255   15.259   5.8517 0.8343611 9.066689 
1 1 1   23   16  -16 o   18.072   4.3835  110.129   56.594  141.508   60.025 -141.0318  169.820   20.999   5.0178   15.145   7.1891 5.854025 8.767050 
1 1 1   23   17  -16 o   17.334   4.9540   68.172   77.355  113.648   84.565 -164.9013  191.446   18.925   6.4535   15.744   7.5180 3.181372 9.907972 
1 1 1   23    0  -17 o   6.4089   4.7289 -396.3536  130.373 -396.3536  130.373   0.0000   0.0000   6.4089   4.7289   6.4089   4.7289 -0.000000 0.000000 
1 1 1   23    1  -17 o   21.463   4.4359  150.515   59.483  177.251   78.249  113.915   91.554   23.491   5.8018   19.436   6.7118 4.055410 8.871827 
1 1 1   23    2  -17 o   19.414   5.0544   95.708   68.375  143.996  129.966   77.228   80.401   21.874   7.9523   16.955   6.2409 4.918888 10.10881 
1 1 1   23    3  -17 o   22.843   4.5239  168.328   63.832  118.259   89.770  219.534   90.783   19.640   6.6494   26.046   6.1359 -6.405985 9.047872 
1 1 1   23    4  -17 o   14.058   4.1320 -11.7074   59.069   82.583   92.142 -77.4921   76.964   17.719   6.6501   10.396   4.9062 7.323746 8.264061 
1 1 1   23    5  -17 o   13.764   4.4235 -60.7461   80.804   17.712   95.703 -255.5373  150.798   14.966   6.3558   12.562   6.1541 2.403441 8.847003 
1 1 1   23    6  -17 o   11.387   3.9489 -223.5036   88.701 -197.3543  123.177 -251.6688  127.836   11.620   5.6643   11.154   5.5037 0.4663000 7.897773 
1 1 1   23    7  -17 o   9.8814   3.3586 -111.5560   56.686 -76.3539   76.930 -153.3754   83.849   10.410   4.9106   9.3526   4.5833 1.057620 6.717208 
1 1 1   23    8  -17 o   16.239   4.3101   29.696   66.182 -96.9802   96.983  140.101   90.540   11.571   5.4753   20.906   6.6579 -9.334496 8.620099 
1 1 1   23    9  -17 o   19.732   4.6559  120.314   63.104  148.867   89.597   92.208   88.893   21.423   6.5948   18.041   6.5740 3.381664 9.311749 
1 1 1   23   10  -17 o   32.270   3.8747  307.515   68.712  238.808   86.001  428.791  114.259   27.283   5.6441   37.256   5.3102 -9.972717 7.749453 
1 1 1   23   11  -17 o   15.216   4.3650   38.855   58.671   24.603   75.115   61.156   93.962   13.812   5.7317   16.620   6.5848 -2.808312 8.729960 
1 1 1   23   12  -17 o   37.196   6.2386  505.297  100.151  512.541  107.546  457.996  274.816   41.027   4.5388   33.365   11.622 7.662663 12.47718 
1 1 1   23   13  -17 o   11.823   3.7276 -38.3611   55.318 -111.8916   81.900   23.329   75.016   9.9456   4.7928   13.701   5.7103 -3.755319 7.455137 
1 1 1   23   14  -17 o   13.161   4.0608  -0.8910   58.025   4.0396   78.050  -6.9831   86.758   13.055   5.6446   13.267   5.8393 -0.2116251 8.121537 
1 1 1   23   15  -17 o   11.319   3.7709 -77.3490   58.470 -38.9144  102.507 -95.8842   71.185   13.319   6.0633   9.3184   4.4850 4.000598 7.541801 
1 1 1   23    0  -18 o   7.3051   5.2656 -190.5002  111.539 -190.5002  111.539   0.0000   0.0000   7.3051   5.2656   7.3051   5.2656 -0.000000 0.000000 
1 1 1   23    1  -18 o   12.985   4.2903 -76.7184   69.464 -93.3701   81.594 -32.8701  132.405   10.390   4.9468   15.580   7.0111 -5.189166 8.580574 
1 1 1   23    2  -18 o   23.540   4.7582  182.303   68.012  195.178   97.120  169.914   95.274   24.318   6.7006   22.762   6.7575 1.555708 9.516360 
1 1 1   23    3  -18 o   26.932   4.5280  249.706   69.303  286.401   84.927  176.567  119.900   30.668   4.7948   23.195   7.6826 7.472822 9.056055 
1 1 1   23    4  -18 o   21.811   4.6442  167.143   69.550  219.951   82.041   32.242  131.126   26.211   5.5901   17.411   7.4180 8.800158 9.288494 
1 1 1   23    5  -18 o   21.524   5.6610  118.223   94.146   57.251  119.630  217.422  152.590   17.728   7.2829   25.319   8.6688 -7.590921 11.32204 
1 1 1   23    6  -18 o   22.239   5.6479  152.679   92.747  120.598  126.675  189.748  136.167   20.569   7.7804   23.908   8.1890 -3.338924 11.29572 
1 1 1   23    7  -18 o   33.750   5.3322  380.077  101.885  497.303  153.129  286.958  136.478   38.710   7.1115   28.791   7.9472 9.918867 10.66448 
1 1 1   23    8  -18 o   20.669   5.9123  102.464   92.211   99.488  215.084  103.135  102.067   22.360   9.5129   18.979   7.0233 3.381142 11.82463 
1 1 1   23    9  -18 o   10.607   3.6542 -151.7923   64.565 -85.4959  110.807 -185.8711   79.444   12.799   5.9920   8.4139   4.1842 4.385582 7.308302 
1 1 1   23   10  -18 o   28.529   5.1825  281.704   84.566  294.894  106.669  259.388  138.747   29.908   6.3704   27.150   8.1763 2.758091 10.36501 
1 1 1   23   11  -18 o   20.811   5.2909  121.517   72.818  182.130  144.581  100.917   84.289   23.369   8.4030   18.253   6.4316 5.115135 10.58187 
1 1 1   23   12  -18 o   14.937   4.3532   24.569   64.613   78.629   86.484 -43.7283   97.207   17.037   6.4324   12.837   5.8673 4.199853 8.706395 
1 1 1   23   13  -18 o   24.854   4.0394  205.094   55.347  217.618   67.637  179.712   96.291   26.682   4.3891   23.026   6.7825 3.656796 8.078755 
1 1 1   23    0  -19 o   7.3165   5.3742 -401.8997  153.382 -401.8997  153.382   0.0000   0.0000   7.3165   5.3742   7.3165   5.3742 -0.000000 0.000000 
1 1 1   23    1  -19 o   10.440   3.5052 -99.7492   59.044 -45.3988   77.740 -173.8417   90.768   11.330   5.2037   9.5494   4.6975 1.780609 7.010391 
1 1 1   23    2  -19 o   22.678   4.9196  153.502   69.261  241.581  117.793  106.959   85.627   26.627   7.3957   18.729   6.4896 7.898067 9.839238 
1 1 1   23    3  -19 o   28.217   4.7974  264.720   78.026  206.906  107.588  328.866  113.326   24.771   7.1332   31.663   6.4169 -6.892275 9.594769 
1 1 1   23    4  -19 o   22.436   5.1802  153.858   78.406   97.258  101.826  236.287  122.883   18.652   6.9926   26.220   7.6446 -7.568218 10.36036 
1 1 1   23    5  -19 o   13.697   4.4998 -71.8949   78.378 -31.9313  140.030 -90.1267   94.581   15.905   7.1790   11.489   5.4272 4.416425 8.999565 
1 1 1   23    6  -19 o   29.652   5.4798  300.463   94.615  258.135  125.704  355.784  143.707   27.307   7.6597   31.996   7.8385 -4.688686 10.95967 
1 1 1   23    7  -19 o   13.372   4.2259 -25.3728   66.886   5.9412   99.018 -51.6531   90.711   14.583   6.3316   12.161   5.5986 2.422319 8.451836 
1 1 1   23    8  -19 o   41.843   3.6192  550.159   84.553  395.504  118.614  709.934  120.562   35.360   5.8081   48.325   4.3197 -12.96413 7.238366 
1 1 1   23    9  -19 o   19.434   5.2755   95.354   71.952  144.175  152.989   81.489   81.532   21.859   8.4782   17.008   6.2805 4.851065 10.55106 
1 1 1   23   10  -19 o   19.789   5.3332  114.797   84.292  129.074  108.182   92.736  134.475   20.228   7.2692   19.350   7.8057 0.8777809 10.66635 
1 1 1   23   11  -19 o   12.187   4.2396 -213.3515   97.327 -118.2932  109.483 -571.5266  212.520   11.890   5.6797   12.484   6.2959 -0.5939112 8.479248 
1 1 1   23    0  -20 o   10.211   5.2471 -252.9947  129.717 -375.9230  277.671 -218.6777  146.710   11.802   8.4769   8.6193   6.1862 -0.000000 0.000000 
1 1 1   23    1  -20 o   17.412   4.6722   78.118   64.930   53.704   87.292  108.355   97.146   15.838   6.3240   18.986   6.8794 -3.147743 9.344491 
1 1 1   23    2  -20 o   17.347   4.9110   60.046   69.237  106.349  127.184   40.545   82.540   19.742   7.7098   14.952   6.0852 4.789813 9.821967 
1 1 1   23    3  -20 o   16.085   5.4586 -45.9534   80.958 -85.9086  273.471 -42.1154   84.758   20.219   9.4487   11.952   5.4687 8.267145 10.91719 
1 1 1   23    4  -20 o   16.250   4.9928   16.282   86.844   8.0792  130.974   22.718  116.014   16.408   7.1994   16.092   6.9196 0.3163929 9.985623 
1 1 1   23    5  -20 f   27.950   5.8840  255.297   92.402  351.145  182.762  222.382  107.099   30.424   9.4276   25.475   7.0434 4.948914 11.76808 
1 1 1   23    6  -20 o   13.148   4.6296 -148.6098   88.161 -518.7389  270.503 -104.6215   93.253   15.302   7.6274   10.995   5.2493 4.307117 9.259180 
1 1 1   23    7  -20 o   26.641   5.4942  246.738   87.975  227.796  112.080  277.137  141.990   25.614   7.2496   27.668   8.2575 -2.054062 10.98836 
1 1 1   23    8  -20 o   14.395   4.3958  -1.7779   67.290   57.083  103.987 -44.1821   88.261   16.682   6.8143   12.107   5.5549 4.574704 8.791548 
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1 1 1   24   12   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   15   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   16   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   18   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   19   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   20   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   21   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   22   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   23   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   12   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   15   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   16   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   18   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   19   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   20   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   21   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   22   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   12   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   15   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   16   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   18   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   19   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   20   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   21   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   22   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   12   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   15   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   16   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   18   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   19   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   20   -7 o   52.695   7.6824  933.776  233.804  933.776  233.804   0.0000   0.0000   52.695   7.6824  ?   ?       ?      ? 
1 1 1   24   21   -7 o   57.949   8.0713  1158.33  270.129  1158.33  270.129   0.0000   0.0000   57.949   8.0713  ?   ?       ?      ? 
1 1 1   24    0   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   12   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   15   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   16   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17   -8 o  ?   ?  -864.2184  234.532 -864.2184  234.532   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   24   18   -8 o   20.020   8.3268   79.669  159.043   79.669  159.043   0.0000   0.0000   20.020   8.3268  ?   ?       ?      ? 
1 1 1   24   19   -8 o   27.977   10.589  289.582  234.734  289.582  234.734   0.0000   0.0000   27.977   10.589  ?   ?       ?      ? 
1 1 1   24   20   -8 o   12.288   6.2369 -727.6053  230.102 -727.6053  230.102   0.0000   0.0000   12.288   6.2369  ?   ?       ?      ? 
1 1 1   24   21   -8 o   34.521   10.537  486.623  229.297  486.623  229.297   0.0000   0.0000   34.521   10.537  ?   ?       ?      ? 
1 1 1   24    0   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11   -9 o   13.835   6.6658 -201.5325  158.240 -201.5325  158.240   0.0000   0.0000   13.835   6.6658  ?   ?       ?      ? 
1 1 1   24   12   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14   -9 f   11.944   5.9392 -352.6943  159.929 -352.6943  159.929   0.0000   0.0000   11.944   5.9392  ?   ?       ?      ? 
1 1 1   24   15   -9 o   32.515   10.890  402.814  240.745  402.814  240.745   0.0000   0.0000   32.515   10.890  ?   ?       ?      ? 
1 1 1   24   16   -9 o   11.792   5.8776 -366.6747  160.553 -366.6747  160.553   0.0000   0.0000   11.792   5.8776  ?   ?       ?      ? 
1 1 1   24   17   -9 o   59.527   5.2826  1096.11  181.610  1096.11  181.610   0.0000   0.0000   59.527   5.2826  ?   ?       ?      ? 
1 1 1   24   18   -9 o   27.772   6.8590  287.611  139.214  192.179  235.115  339.132  172.752   25.121   10.252   30.422   9.1147 -5.301807 13.71806 
1 1 1   24   19   -9 o   20.899   6.2352   67.603  142.416 -273.3060  278.641  188.150  165.693   17.998   8.7141   23.801   8.9205 -5.802744 12.47040 
1 1 1   24   20   -9 o   38.791   7.6134  521.299  164.477  521.299  164.477   0.0000   0.0000   38.791   7.6134  ?   ?       ?      ? 
1 1 1   24    0  -10 o   4.7344   3.4995 -243.7523   74.403   0.0000   0.0000 -243.7523   74.403   4.7344   3.4995   4.7344   3.4995 -0.000000 0.000000 
1 1 1   24    1  -10 o   11.085   5.1045 -50.2803   75.457   0.0000   0.0000 -50.2803   75.457  ?   ?    11.085   5.1045      ?      ? 
1 1 1   24    2  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4  -10 o   26.233   8.8082  226.450  157.509  226.450  157.509   0.0000   0.0000   26.233   8.8082  ?   ?       ?      ? 
1 1 1   24    5  -10 o   13.486   6.5265 -217.9021  155.826 -217.9021  155.826   0.0000   0.0000   13.486   6.5265  ?   ?       ?      ? 
1 1 1   24    6  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8  -10 o   17.004   6.5862   66.907   92.233   66.907   92.233   0.0000   0.0000   17.004   6.5862  ?   ?       ?      ? 
1 1 1   24    9  -10 o   19.161   6.6483  109.021   89.881  109.021   89.881   0.0000   0.0000   19.161   6.6483  ?   ?       ?      ? 
1 1 1   24   10  -10 o   30.188   8.7980  315.826  162.789  315.826  162.789   0.0000   0.0000   30.188   8.7980  ?   ?       ?      ? 
1 1 1   24   11  -10 o   30.156   8.2393  311.254  147.576  311.254  147.576   0.0000   0.0000   30.156   8.2393  ?   ?       ?      ? 
1 1 1   24   12  -10 o   15.999   7.9075 -473.6966  267.718 -473.6966  267.718   0.0000   0.0000   15.999   7.9075  ?   ?       ?      ? 
1 1 1   24   13  -10 o   15.714   5.3263 -232.0419  142.532 -402.6617  220.327 -109.2506  186.911   14.557   7.1906   16.870   7.8595 -2.313581 10.65252 
1 1 1   24   14  -10 o   33.223   6.1396  378.662  120.136  289.269  159.564  495.653  182.541   28.696   8.7952   37.749   8.5688 -9.052349 12.27928 
1 1 1   24   15  -10 o   14.849   7.1049 -180.2051  172.783 -180.2051  172.783   0.0000   0.0000   14.849   7.1049  ?   ?       ?      ? 
1 1 1   24   16  -10 o   20.142   8.3393   83.530  158.481   83.530  158.481   0.0000   0.0000   20.142   8.3393  ?   ?       ?      ? 
1 1 1   24   17  -10 o   19.275   5.5530   61.779  106.236  158.291  137.971 -78.7694  166.498   22.324   8.1818   16.225   7.5102 6.099831 11.10603 
1 1 1   24   18  -10 o   14.278   4.9210 -245.2629  128.266 -269.3708  203.265 -229.3113  165.342   14.977   7.2952   13.578   6.6063 1.398660 9.841924 
1 1 1   24   19  -10 o   31.272   6.1131  359.476  113.949  366.415  153.579  350.979  169.960   31.895   8.2686   30.650   9.0060 1.244673 12.22612 
1 1 1   24    0  -11 o   14.543   9.6439 -20.2246  213.999   0.0000   0.0000 -20.2246  213.999   14.543   9.6439   14.543   9.6439 -0.000000 0.000000 
1 1 1   24    1  -11 o   18.286   5.8539 -50.1445  125.323   3.6360  215.361 -77.6806  154.101   20.651   9.1393   15.921   7.3175 4.730519 11.70778 
1 1 1   24    2  -11 o   19.677   4.7660  122.194   69.676  166.427   77.925 -54.1651  155.598   22.821   5.8767   16.533   7.5048 6.288017 9.531960 
1 1 1   24    3  -11 o   19.203   5.4955   37.702   74.304   8.1659   81.488  183.381  180.976   13.680   5.8385   24.726   9.3120 -11.04652 10.99099 
1 1 1   24    4  -11 o   12.357   5.6699 -53.8670   91.993 -53.8670   91.993   0.0000   0.0000   12.357   5.6699  ?   ?       ?      ? 
1 1 1   24    5  -11 o   9.3752   4.6224 -182.5122   89.587 -182.5122   89.587   0.0000   0.0000   9.3752   4.6224  ?   ?       ?      ? 
1 1 1   24    6  -11 o   16.565   5.5914 -198.7153  147.020 -423.9921  266.106 -99.7402  176.384   16.490   8.0978   16.640   7.7123 -0.1507778 11.18275 
1 1 1   24    7  -11 o   8.3862   4.2272 -290.9052   95.106 -290.9052   95.106   0.0000   0.0000   8.3862   4.2272  ?   ?       ?      ? 
1 1 1   24    8  -11 o   14.543   4.1948   21.503   58.688   70.706   81.235 -32.2132   84.880   16.656   6.2454   12.430   5.6017 4.225959 8.389579 
1 1 1   24    9  -11 f   18.948   5.7385   8.9220   73.180  185.659  219.715 -13.1305   77.611   25.395   10.067   12.502   5.5119 12.89331 11.47694 
1 1 1   24   10  -11 f   14.424   4.8310 -79.8255   90.425 -631.9192  271.827 -11.1289   95.886   14.903   7.4614   13.946   6.1385 0.9571066 9.662010 
1 1 1   24   11  -11 o   18.176   5.5183   17.701  104.470 -32.9559  139.229   82.967  158.037   16.017   7.2005   20.334   8.3642 -4.317362 11.03663 
1 1 1   24   12  -11 o   14.866   5.0437 -220.6299  129.307 -493.3427  225.126 -86.3633  157.964   13.932   6.9466   15.801   7.3144 -1.869123 10.08742 
1 1 1   24   13  -11 o   21.507   6.0314 -69.9233  151.562 -563.5628  228.669  316.840  202.407   13.495   6.7690   29.518   9.9846 -16.02326 12.06286 
1 1 1   24   14  -11 o   21.548   5.5552  144.741   90.171   66.974  166.913  176.791  107.153   19.995   8.4372   23.102   7.2286 -3.106636 11.11032 
1 1 1   24   15  -11 f   15.770   7.0098 -13.5025  128.050 -13.5025  128.050   0.0000   0.0000   15.770   7.0098  ?   ?       ?      ? 
1 1 1   24   16  -11 o   18.535   5.8397  -9.3885  126.663   57.570  188.721 -64.2755  170.865   20.337   8.7853   16.732   7.6959 3.604876 11.67936 
1 1 1   24   17  -11 o   19.243   5.3008   82.484   95.094 -68.9057  155.771  172.423  120.063   15.806   7.2979   22.680   7.6899 -6.874433 10.60160 
1 1 1   24   18  -11 o   16.166   5.0682  -1.4058   92.577   1.6718  145.365  -3.5057  120.076   16.891   7.4902   15.442   6.8295 1.448917 10.13631 
1 1 1   24    0  -12 o   6.8845   4.9287 -136.9373   90.703   0.0000   0.0000 -136.9373   90.703   6.8845   4.9287   6.8845   4.9287 -0.000000 0.000000 
1 1 1   24    1  -12 o   20.070   4.8781  132.852   60.986  156.501   63.629 -134.1576  213.800   22.298   5.0573   17.842   8.3432 4.455841 9.756300 
1 1 1   24    2  -12 o   14.763   5.2789 -172.0835   71.428 -44.0681  265.177 -182.0982   74.169   21.472   9.7661   8.0539   4.0113 13.41837 10.55781 
1 1 1   24    3  -12 o   13.855   4.3647 -22.7329   70.347 -48.6418  109.600  -4.5809   91.738   13.797   6.2766   13.913   6.0669 -0.1156836 8.729452 
1 1 1   24    4  -12 o   10.876   3.6217 -64.5348   53.615 -96.4881   99.905 -51.6099   63.539   11.866   5.5970   9.8857   4.5978 1.980425 7.243364 
1 1 1   24    5  -12 o   11.971   4.3348 -171.5346   67.619 -298.4312  220.699 -158.3885   71.035   15.798   7.6737   8.1449   4.0341 7.652892 8.669509 
1 1 1   24    6  -12 o   15.126   5.0234 -49.6382   83.488 -195.9451  221.739 -25.4715   90.120   17.194   8.1772   13.057   5.8370 4.136888 10.04670 
1 1 1   24    7  -12 o   8.6713   3.1047 -322.0950   71.808 -293.2911  112.143 -342.1125   93.487   9.5886   4.7995   7.7541   3.9396 1.834533 6.209326 
1 1 1   24    8  -12 o   15.923   7.8914 -415.0085   64.130 -509.3012  273.286 -409.5135   65.972   15.923   7.8914  ?   ?       ?      ? 
1 1 1   24    9  -12 o   11.729   4.0830 -170.5286   77.947 -157.2223   89.238 -213.3579  160.100   9.7470   4.7663   13.711   6.6306 -3.964505 8.165945 
1 1 1   24   10  -12 o   13.555   4.3518 -76.5900   80.358   20.597  104.855 -214.9046  125.089   15.627   6.6451   11.483   5.6209 4.144444 8.703538 
1 1 1   24   11  -12 o   28.718   7.2717  288.510  153.403  363.845  229.074  227.256  206.558   31.179   10.622   26.257   9.9344 4.921946 14.54341 
1 1 1   24   12  -12 f   19.874   5.8696   60.055  114.582  -4.9683  158.393  131.436  165.957   17.652   7.8236   22.097   8.7523 -4.445374 11.73929 
1 1 1   24   13  -12 o   34.951   6.0347  464.412  116.225  321.772  230.768  512.891  134.534   29.403   10.611   40.500   5.7516 -11.09777 12.06936 
1 1 1   24   14  -12 o   26.883   5.7505  267.234  110.930   63.594  190.474  371.756  136.461   20.624   8.8674   33.143   7.3241 -12.51911 11.50099 
1 1 1   24   15  -12 o   26.823   5.9674  275.602  105.820   99.855  234.008  320.779  118.644   22.695   9.7934   30.950   6.8212 -8.255182 11.93476 
1 1 1   24   16  -12 o   21.466   6.3345  107.769  123.054  105.893  146.916  112.178  225.244   20.311   8.1709   22.621   9.6820 -2.309641 12.66904 
1 1 1   24   17  -12 o   16.134   4.9975 -33.9215   98.127 -187.8346  146.411   91.596  132.217   13.053   6.3191   19.215   7.7439 -6.162176 9.994947 
1 1 1   24    0  -13 o   27.427   8.8397  368.210  157.864  405.838  194.232  294.977  270.967   30.840   11.641   24.014   13.306 -0.000000 0.000000 
1 1 1   24    1  -13 f   24.549   3.7417  196.332   50.887  154.232   83.230  221.464   64.306   21.885   6.2658   27.212   4.0917 -5.326614 7.483453 
1 1 1   24    2  -13 o   10.768   3.8553 -186.6549   60.899 -194.0431   66.426 -147.7211  152.486   7.1713   3.6041   14.364   6.8164 -7.192421 7.710592 
1 1 1   24    3  -13 o   16.386   5.2346 -57.2627   66.965 -81.1835   71.212  125.525  196.852   9.7757   4.6447   22.996   9.3825 -13.22002 10.46917 
1 1 1   24    4  -13 f   8.3264   4.1881 -348.3603   57.615 -404.9476   74.628 -264.8728   90.647  ?   ?    8.3264   4.1881      ?      ? 
1 1 1   24    5  -13 o   14.570   4.2748   28.647   55.160   29.511   65.820   26.609  101.100   13.479   5.4527   15.661   6.5852 -2.182230 8.549646 
1 1 1   24    6  -13 o   14.344   5.1584 -137.8107   71.815 -172.7048  280.361 -135.3604   74.294   19.839   9.3633   8.8493   4.3319 10.98977 10.31678 
1 1 1   24    7  -13 o   16.600   4.9402   24.235   84.279   81.183  105.655 -75.3973  139.749   18.189   7.0481   15.011   6.9244 3.178308 9.880422 
1 1 1   24    8  -13 o   12.529   3.9079 -21.6665   55.464 -52.2310   73.377   19.073   84.714   10.775   4.9869   14.284   6.0182 -3.509180 7.815843 
1 1 1   24    9  -13 o   22.955   4.6840  178.166   67.668  217.056   86.810  117.943  108.027   25.913   5.9289   19.996   7.2531 5.916958 9.368013 
1 1 1   24   10  -13 o   10.367   3.6403 -257.6125   82.923 -256.1800  123.773 -258.7791  111.696   10.799   5.3445   9.9352   4.9440 0.8639879 7.280640 
1 1 1   24   11  -13 o   20.571   5.0050   45.928   68.584  295.898  149.444 -20.7658   77.193   29.023   8.4214   12.119   5.4110 16.90330 10.00994 
1 1 1   24   12  -13 o   16.430   4.7957   47.438   71.577   2.6871  130.299   66.778   85.658   16.364   7.1804   16.495   6.3589 -0.1314278 9.591331 
1 1 1   24   13  -13 o   21.616   5.2009   79.482   79.252  -7.0208   92.961  309.626  151.629   13.752   6.0489   29.480   8.4622 -15.72811 10.40182 
1 1 1   24   14  -13 o   14.467   5.0509 -100.8903   85.700 -357.7054  287.998 -75.9405   89.766   17.502   8.5595   11.432   5.3649 6.070486 10.10184 
1 1 1   24   15  -13 o   20.852   5.2734  132.465   72.869  147.100  147.943  127.777   83.730   21.859   8.3744   19.845   6.4114 2.013950 10.54686 
1 1 1   24   16  -13 o   12.166   3.8479 -58.5697   63.885 -242.9087  109.961   35.353   78.490   9.9234   4.9329   14.408   5.9068 -4.484737 7.695700 
1 1 1   24    0  -14 o   8.5342   4.3494 -141.9045   82.646 -323.9293  194.210 -101.6516   91.328   9.5765   6.9093   7.4918   5.2851 -0.000000 0.000000 
1 1 1   24    1  -14 o   11.420   5.3431 -198.4972   52.905 -74.1294   87.890 -269.1667   66.252   11.420   5.3431  ?   ?       ?      ? 
1 1 1   24    2  -14 o   18.498   4.8267   94.956   68.289   77.380  103.567  108.475   90.832   17.925   6.9692   19.072   6.6796 -1.146439 9.653307 
1 1 1   24    3  -14 o   12.315   4.1788 -116.8815   76.580 -158.7494  145.040 -100.6982   90.174   13.675   6.5338   10.956   5.2115 2.719198 8.357629 
1 1 1   24    4  -14 o   38.782   5.1770  508.007  110.717  587.486  147.583  405.691  167.447   43.414   5.8860   34.149   8.5184 9.264851 10.35409 
1 1 1   24    5  -14 o   8.8581   3.1591 -316.1711   74.522 -277.9680   96.776 -371.8266  116.808   8.6314   4.3396   9.0848   4.5921 -0.4533653 6.318142 
1 1 1   24    6  -14 o   8.6597   3.0512 -201.3970   59.759 -227.2317   93.430 -183.5109   77.740   8.9946   4.4834   8.3248   4.1397 0.6698360 6.102301 
1 1 1   24    7  -14 o   24.915   4.3221  197.414   61.177  237.760   95.489  169.323   79.676   26.990   6.2490   22.839   5.9726 4.150967 8.644163 
1 1 1   24    8  -14 o   21.228   4.1832  146.710   55.476   93.846   80.709  194.054   76.379   17.857   6.2934   24.599   5.5127 -6.742266 8.366360 
1 1 1   24    9  -14 o   26.152   4.3501  226.449   62.657  239.773   75.727  197.527  111.567   28.058   4.6731   24.246   7.3386 3.811855 8.700139 
1 1 1   24   10  -14 o   29.586   4.3294  284.427   67.730  289.501   81.679  273.260  121.182   30.838   4.5860   28.334   7.3446 2.503908 8.658779 
1 1 1   24   11  -14 o   27.640   3.8732  267.802   59.520  368.479   78.468  131.387   91.340   35.027   3.8788   20.253   6.7053 14.77406 7.746401 
1 1 1   24   12  -14 o   20.806   4.5914  158.378   63.927 -31.9325  161.041  193.976   69.650   16.932   7.6654   24.681   5.0562 -7.749138 9.182763 
1 1 1   24   13  -14 o   16.101   5.1075   20.317   74.597 -200.0163  236.162   44.737   78.622   17.276   8.2766   14.926   5.9869 2.350138 10.21496 
1 1 1   24   14  -14 o   18.298   4.0624  105.507   53.542   27.326   82.751  161.807   70.223   14.324   5.9861   22.272   5.4935 -7.947824 8.124771 
1 1 1   24   15  -14 f   8.8664   3.0600 -121.9322   51.301 -124.3459   72.920 -119.5669   72.185   8.8515   4.3242   8.8812   4.3307 -0.2960396E-01 6.119925 
1 1 1   24    0  -15 o   14.558   5.3945   84.826   71.595 -18.6446  114.875  150.545   91.551   10.637   7.0578   18.479   8.1603 -0.000000 0.000000 
1 1 1   24    1  -15 o   10.206   3.5681 -167.5867   65.698 -156.2330   77.387 -196.8862  124.317   8.7322   4.3036   11.679   5.6924 -2.946758 7.136132 
1 1 1   24    2  -15 o   23.310   4.5349  177.073   62.722  165.300   84.296  191.677   93.882   22.506   6.2583   24.113   6.5648 -1.606424 9.069883 
1 1 1   24    3  -15 o   18.924   4.1168   94.715   53.839   28.537   70.061  190.150   84.135   13.681   5.5915   24.166   6.0438 -10.48504 8.233566 
1 1 1   24    4  -15 o   25.829   4.6580  233.110   69.149  263.122   81.634  156.879  130.104   29.364   4.8136   22.294   7.9760 7.070045 9.315988 
1 1 1   24    5  -15 o   15.323   4.5686   26.821   68.583   60.864   80.506 -63.2609  130.957   15.966   6.1620   14.680   6.7467 1.286131 9.137196 
1 1 1   24    6  -15 o   22.662   5.4276  170.259   81.390  185.968   94.524  125.223  160.049   23.690   6.6412   21.634   8.5868 2.056231 10.85530 
1 1 1   24    7  -15 o   10.340   5.0591 -271.8074   62.580 -332.5800   79.739 -174.3437  100.980  ?   ?    10.340   5.0591      ?      ? 
1 1 1   24    8  -15 o   13.465   3.9664   21.008   51.522  -1.1774   78.612   37.714   68.216   12.939   5.6297   13.990   5.5890 -1.051232 7.932873 
1 1 1   24    9  -15 o   22.067   4.9616  163.687   70.419  132.512  122.341  179.133   86.114   20.852   7.6947   23.282   6.2661 -2.430315 9.923266 
1 1 1   24   10  -15 o   8.8265   3.0052 -83.2141   43.194 -87.7430   54.736 -75.7384   70.323   7.8897   3.8299   9.7633   4.6320 -1.873580 6.010324 
1 1 1   24   11  -15 o   12.304   4.3327 -130.1715   61.782 -136.9843   65.897 -80.6711  177.625   7.9807   3.9404   16.627   7.7178 -8.646246 8.665483 
1 1 1   24   12  -15 o   8.8085   4.4327 -298.7810   61.193 -292.0166  102.208 -302.5606   76.400   8.8085   4.4327  ?   ?       ?      ? 
1 1 1   24   13  -15 o   19.156   5.0118  106.799   77.889  158.575  101.592   32.966  121.317   21.693   7.0663   16.619   7.1091 5.074018 10.02358 
1 1 1   24    0  -16 o   9.3169   4.6432 -144.8306   76.974   14.269  141.581 -211.5912   91.713   12.643   8.1915   5.9907   4.3745 -0.000000 0.000000 
1 1 1   24    1  -16 o   14.447   4.2819   10.839   63.706 -52.8757   93.487   66.074   87.044   12.375   5.6922   16.519   6.3983 -4.143441 8.563828 
1 1 1   24    2  -16 o   11.111   3.7558 -116.6494   68.202 -84.7098   97.118 -147.7277   95.799   11.824   5.5589   10.398   5.0518 1.426028 7.511508 
1 1 1   24    3  -16 f   8.1162   4.0743 -233.4859   83.692   0.0000   0.0000 -233.4859   83.692  ?   ?    8.1162   4.0743      ?      ? 
1 1 1   24    4  -16 o   22.556   4.4049  174.222   61.679  216.878   79.269  108.772   98.190   25.992   5.4545   19.120   6.9181 6.872152 8.809740 
1 1 1   24    5  -16 o   12.782   3.9379  -0.9923   53.751   2.7742   69.460  -6.6148   84.865   12.378   5.3384   13.187   5.7905 -0.8098097 7.875784 
1 1 1   24    6  -16 o   13.532   4.0622   14.979   54.722   16.587   71.800   12.752   84.527   13.165   5.5433   13.899   5.9395 -0.7334461 8.124426 
1 1 1   24    7  -16 o   29.433   3.8893  262.959   63.604  216.566   80.475  340.170  103.818   25.883   5.5500   32.983   5.4501 -7.099447 7.778516 
1 1 1   24    8  -16 o   10.517   3.6802 -158.3638   64.201 -143.5561  128.658 -163.2736   74.083   12.752   6.1092   8.2821   4.1053 4.469760 7.360399 
1 1 1   24    9  -16 o   15.098   4.4877   34.587   58.906   40.584   67.053   14.306  123.304   14.007   5.5585   16.189   7.0470 -2.181305 8.975375 
1 1 1   24   10  -16 o   28.743   4.2071  266.617   65.084  254.721   80.720  288.720  110.030   28.244   5.1378   29.242   6.6636 -0.9981689 8.414259 
1 1 1   24   11  -16 o   10.995   3.8289 -222.1202   86.116 -210.6892  121.389 -233.7024  122.189   11.129   5.4660   10.862   5.3634 0.2669678 7.657890 
1 1 1   24    0  -17 o   7.5355   5.4734 -262.4593  132.794 -262.4593  132.794   0.0000   0.0000   7.5355   5.4734   7.5355   5.4734 -0.000000 0.000000 
1 1 1   24    1  -17 o   27.818   5.1209  308.421   82.237  352.386   90.732  106.055  194.657   33.919   4.6315   21.717   9.1347 12.20272 10.24180 
1 1 1   24    2  -17 o   20.889   4.7957  130.976   66.091   87.917   83.929  201.259  107.227   17.479   6.3850   24.298   7.1573 -6.819231 9.591414 
1 1 1   24    3  -17 o   13.437   4.3328 -41.1185   73.392 -43.5532  114.043 -39.3974   95.887   13.996   6.3807   12.879   5.8633 1.117332 8.665550 
1 1 1   24    4  -17 o   17.493   4.7649   76.720   68.101  106.608  101.997   52.680   91.478   18.999   7.0228   15.987   6.4418 3.011853 9.529815 
1 1 1   24    5  -17 o   15.232   4.8125 -16.6024   84.098 -31.0701  107.133   6.6266  135.750   13.872   6.2687   16.592   7.3036 -2.720133 9.624953 
1 1 1   24    6  -17 o   18.234   4.9205   92.030   66.757   97.773   77.172   74.955  133.064   17.820   6.1616   18.649   7.6734 -0.8287983 9.841075 
1 1 1   24    7  -17 o   12.832   4.5749 -192.2709   69.545 -212.1991   74.195 -48.0627  199.589   7.5668   3.8037   18.098   8.3217 -10.53130 9.149811 
1 1 1   24    8  -17 f   9.6139   3.2995 -123.8953   57.536 -143.5560   82.317 -105.1164   80.450   9.3094   4.5577   9.9185   4.7723 -0.6090641 6.599043 
1 1 1   24    0  -18 o   19.401   6.6234  179.496   92.075  118.362  135.017  232.643  125.888   16.034   9.1908   22.769   9.5398 -0.000000 0.000000 
1 1 1   24    1  -18 o   19.421   4.7168  120.888   63.940  116.802   91.710  124.752   89.193   19.208   6.7127   19.633   6.6281 -0.4253616 9.433558 
1 1 1   24    2  -18 o   11.299   3.8827 -146.6715   72.881 -164.1285   89.600 -112.5359  125.293   9.5482   4.6910   13.049   6.1885 -3.500685 7.765465 
1 1 1   24    3  -18 o   9.8526   3.4577 -200.7253   67.324 -139.7646  111.296 -235.9045   84.547   11.593   5.5867   8.1127   4.0757 3.479853 6.915344 
1 1 1   25    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   25   13    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   25   15    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   18    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   19    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   18   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   19   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   25    1   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   25    7   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   25   11   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   25   13   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   25   15   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   18   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   25    1   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   25    3   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   25    5   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   18   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   18   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   18   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   -7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   -8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   -9 o   31.101   4.7791  294.557   85.843  294.557   85.843   0.0000   0.0000   31.101   4.7791  ?   ?       ?      ? 
1 1 1   25    8   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   -9 o   39.085   7.6786  520.710  167.147  520.710  167.147   0.0000   0.0000   39.085   7.6786  ?   ?       ?      ? 
1 1 1   25   12   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   -9 o   57.855   7.4584  1120.57  249.216  1120.57  249.216   0.0000   0.0000   57.855   7.4584  ?   ?       ?      ? 
1 1 1   25   14   -9 o   11.578   5.7924 -386.1362  162.430 -386.1362  162.430   0.0000   0.0000   11.578   5.7924  ?   ?       ?      ? 
1 1 1   25   15   -9 o   42.440   10.172  706.571  246.085  706.571  246.085   0.0000   0.0000   42.440   10.172  ?   ?       ?      ? 
1 1 1   25    0  -10 o   28.198   5.7581  263.274   82.932   0.0000   0.0000  263.274   82.932   28.198   5.7581   28.198   5.7581 -0.000000 0.000000 
1 1 1   25    1  -10 o   31.201   4.6213  295.165   83.276   0.0000   0.0000  295.165   83.276  ?   ?    31.201   4.6213      ?      ? 
1 1 1   25    2  -10 o   20.788   8.7010   80.646  175.227   0.0000   0.0000   80.646  175.227  ?   ?    20.788   8.7010      ?      ? 
1 1 1   25    3  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4  -10 o   13.700   6.6222 -207.2772  159.239 -207.2772  159.239   0.0000   0.0000   13.700   6.6222  ?   ?       ?      ? 
1 1 1   25    5  -10 o   10.670   5.3920 -492.3997  160.547 -492.3997  160.547   0.0000   0.0000   10.670   5.3920  ?   ?       ?      ? 
1 1 1   25    6  -10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7  -10 o   11.505   5.7629 -409.3257  163.095 -409.3257  163.095   0.0000   0.0000   11.505   5.7629  ?   ?       ?      ? 
1 1 1   25    8  -10 o   8.1376   4.0570 -188.8112   76.675 -188.8112   76.675   0.0000   0.0000   8.1376   4.0570  ?   ?       ?      ? 
1 1 1   25    9  -10 o   12.559   5.7451 -46.0464   93.451 -46.0464   93.451   0.0000   0.0000   12.559   5.7451  ?   ?       ?      ? 
1 1 1   25   10  -10 o   43.960   6.6146  623.927  167.937  623.927  167.937   0.0000   0.0000   43.960   6.6146  ?   ?       ?      ? 
1 1 1   25   11  -10 o   13.455   6.7388 -515.4363  222.567 -515.4363  222.567   0.0000   0.0000   13.455   6.7388  ?   ?       ?      ? 
1 1 1   25   12  -10 o   16.890   8.2788 -360.5783  274.042 -360.5783  274.042   0.0000   0.0000   16.890   8.2788  ?   ?       ?      ? 
1 1 1   25   13  -10 o   17.583   7.7188   18.326  150.721   18.326  150.721   0.0000   0.0000   17.583   7.7188  ?   ?       ?      ? 
1 1 1   25   14  -10 o   39.911   7.6274  554.345  169.407  554.345  169.407   0.0000   0.0000   39.911   7.6274  ?   ?       ?      ? 
1 1 1   25    0  -11 o   17.830   10.977  120.613  220.006   0.0000   0.0000  120.613  220.006   17.830   10.977   17.830   10.977 -0.000000 0.000000 
1 1 1   25    1  -11 o   21.493   5.4790   90.484   81.510   28.897   94.382  271.203  161.676   15.263   6.3869   27.723   8.9041 -12.46026 10.95791 
1 1 1   25    2  -11 o   18.953   6.0405 -62.9154  141.734   91.889  215.695 -180.5496  188.025   22.283   9.5044   15.623   7.4577 6.660021 12.08105 
1 1 1   25    3  -11 o   13.511   4.6520 -165.6465   89.839 -180.8009  102.373 -114.8781  187.377   10.352   5.0713   16.671   7.8004 -6.318538 9.303938 
1 1 1   25    4  -11 o   14.362   6.1902   8.0757   93.268   8.0757   93.268   0.0000   0.0000   14.362   6.1902  ?   ?       ?      ? 
1 1 1   25    5  -11 o   12.525   4.3790 -181.1657   81.902 -187.6502   91.822 -155.9258  181.155   9.4171   4.6499   15.632   7.4216 -6.215016 8.757991 
1 1 1   25    6  -11 o   15.585   5.4387 -332.7911  151.161 -246.6828  273.418 -370.6954  181.405   18.325   8.8124   12.845   6.3767 5.480249 10.87749 
1 1 1   25    7  -11 o   36.026   7.3590  483.290  153.318  559.553  277.042  449.621  184.076   36.814   11.638   35.239   9.0097 1.575607 14.71799 
1 1 1   25    8  -11 o   12.385   4.3387 -146.2750   80.968 -450.8082  225.740 -101.3119   86.740   14.176   7.0501   10.594   5.0592 3.582176 8.677490 
1 1 1   25    9  -11 o   19.014   5.5392   52.115   82.383   22.096   92.722  164.654  179.529   14.792   6.2676   23.237   9.1350 -8.444735 11.07838 
1 1 1   25   10  -11 o   12.203   4.3066 -220.0324   86.975 -200.4819  186.329 -225.4789   98.347   15.065   7.2522   9.3409   4.6468 5.724231 8.613223 
1 1 1   25   11  -11 o   23.308   6.5080   91.578   70.384  390.903  281.436   71.608   72.695   30.537   11.586   16.079   5.9318 14.45772 13.01604 
1 1 1   25   12  -11 o   23.203   6.0191  107.974  142.142 -319.8124  233.007  361.530  179.387   15.597   7.6427   30.810   9.3011 -15.21291 12.03830 
1 1 1   25    0  -12 o   13.438   7.6866   76.203   94.151   0.0000   0.0000   76.203   94.151   13.438   7.6866   13.438   7.6866 -0.000000 0.000000 
1 1 1   25    1  -12 o   15.321   4.4822   28.114   66.493 -14.4768   94.201   70.406   93.870   13.604   6.0312   17.039   6.6320 -3.435316 8.964348 
1 1 1   25    2  -12 o   40.350   7.1819  610.052  166.911  548.304  225.120  685.435  248.738   38.085   10.078   42.615   10.235 -4.530399 14.36377 
1 1 1   25    3  -12 o   12.833   4.0022 -27.2650   62.150   33.132   79.494 -122.2265   99.679   14.481   5.9415   11.186   5.3638 3.295280 8.004492 
1 1 1   25    4  -12 o   22.369   4.8604  164.335   69.545  132.891   96.235  198.705  100.613   20.407   6.8848   24.331   6.8626 -3.924660 9.720877 
1 1 1   25    5  -12 f   6.7201   3.4130 -253.5688   69.716   0.0000   0.0000 -253.5688   69.716  ?   ?    6.7201   3.4130      ?      ? 
1 1 1   25    6  -12 o   20.803   4.5526  137.582   60.015  112.927   78.747  171.746   92.697   18.902   6.2244   22.705   6.6453 -3.803247 9.105120 
1 1 1   25    7  -12 o   31.647   6.1871  311.480   91.710  286.286   99.349  456.645  238.482   29.605   6.0157   33.690   10.814 -4.085440 12.37424 
1 1 1   25    8  -12 o   16.158   4.6313   44.902   69.753  -5.4036  101.188   90.450   96.284   14.298   6.2993   18.017   6.7909 -3.719032 9.262628 
1 1 1   25    9  -12 o   15.068   4.5147 -21.5470   80.741   95.521  100.949 -229.4118  134.516   18.389   6.9480   11.747   5.7667 6.641624 9.029332 
1 1 1   25   10  -12 o   24.151   6.0414  203.584  104.373  199.875  164.628  206.076  134.965   24.067   8.9171   24.235   8.1534 -0.1676273 12.08276 
1 1 1   25   11  -12 o   12.053   4.3359 -363.2706  109.363 -461.5002  236.798 -336.6380  123.300   14.365   7.1567   9.7398   4.8970 4.625411 8.671767 
1 1 1   25    0  -13 o   25.501   5.1138  239.247   66.726  178.242   91.045  310.036   98.075   20.644   8.0188   30.357   6.3483 -0.000000 0.000000 
1 1 1   25    1  -13 f   31.612   5.9338  214.608   60.585  192.008   62.362  594.314  255.614   24.763   4.5274   38.461   10.970 -13.69824 11.86764 
1 1 1   25    2  -13 o   11.991   3.7253 -14.3767   51.716 -76.1664   83.987   23.361   65.636   10.954   5.1562   13.028   5.3781 -2.073677 7.450538 
1 1 1   25    3  -13 o   27.151   5.6650  222.563   63.976  279.961  230.747  217.783   66.586   27.530   10.480   26.772   4.3064 0.7578545 11.33003 
1 1 1   25    4  -13 o   10.564   3.4501 -43.3568   47.811 -41.7557   77.272 -44.3499   60.860   11.357   5.2059   9.7701   4.5288 1.587377 6.900123 
1 1 1   25    5  -13 o   9.0956   4.3305 -72.1761   62.538 -72.1761   62.538   0.0000   0.0000   9.0956   4.3305  ?   ?       ?      ? 
1 1 1   25    6  -13 o   21.678   4.5985  150.515   69.983  244.555   96.922   48.078  101.157   27.098   6.3107   16.258   6.6902 10.83932 9.196917 
1 1 1   25    7  -13 o   19.608   4.6619  120.901   59.861  131.397  104.435  115.766   73.052   20.280   7.1576   18.937   5.9751 1.343206 9.323802 
1 1 1   25    8  -13 o   18.136   4.6277   45.309   62.656 -17.9836   73.800  208.698  118.575   11.834   5.2866   24.439   7.5971 -12.60525 9.255479 
1 1 1   25    0  -14 o   11.779   5.8283 -47.6884   73.532 -58.8434   77.541   51.915  231.702   7.4790   5.1843   16.078   10.440 -0.000000 0.000000 
1 1 1   25    1  -14 o   12.752   3.9391 -22.8009   53.147 -58.6379   65.169   48.360   91.833   9.7279   4.5672   15.776   6.4193 -6.047852 7.878194 
1 1 1   25    2  -14 o   18.572   5.5023   26.295   68.398  206.017  195.109   1.1137   73.033   24.616   9.5669   12.528   5.4384 12.08826 11.00464 
1 1 1   25    3  -14 o   12.693   3.7311   2.9478   47.043   59.794   72.159 -39.0729   62.040   15.344   5.8557   10.042   4.6256 5.301708 7.462269 
1 1 1   25    4  -14 o   9.9653   3.4806 -159.8821   63.827 -184.5564  117.180 -149.4733   76.108   11.254   5.4943   8.6769   4.2747 2.576982 6.961301 
1 1 1   25    5  -14 o   15.812   4.3728   61.062   53.375   65.559   61.809   47.875  105.844   15.213   5.4912   16.412   6.8068 -1.199358 8.745594 
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1 1 1   26   12   -1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   26   10   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   11   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   12   -2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    1   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    2   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    3   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   26    5   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    6   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    7   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   26    9   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   26   11   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   12   -3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   -4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   26    0   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   26    5   -5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   26    5   -6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
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1 1 1   26    5   -9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
#END OF REFLECTIONS
