data_r4obpsf
# 
_audit.revision_id    1_0
_audit.creation_date  2014-04-23
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4obp 
_cell.length_a      80.3020 
_cell.length_b      88.6880 
_cell.length_c      91.2180 
_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   0.97940 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.270 
_diffrn_reflns.pdbx_d_res_low    63.588 
_diffrn_reflns.limit_h_max       35 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       39 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       40 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            30778 
_diffrn_reflns.pdbx_number_obs   30466 
# 
_entry.id   4obp 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4obp 
_symmetry.space_group_name_H-M   'P 21 21 21' 
_symmetry.Int_Tables_number      19 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'           
2 '-X+1/2,  -Y,  Z+1/2' 
3 'X+1/2,  -Y+1/2,  -Z' 
4 '-X,  Y+1/2,  -Z+1/2' 
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.pdbx_anom_difference
_refln.pdbx_anom_difference_sigma
1 1 1    0    0    2 x  ?   ?       ?      ? 
1 1 1    0    0    4 o  520.299   5.4567 0.000000 0.000000 
1 1 1    0    0    6 o  789.261   8.2637 0.000000 0.000000 
1 1 1    0    0    8 o  524.271   5.5234 0.000000 0.000000 
1 1 1    0    0   10 o   52.829   7.1767 0.000000 0.000000 
1 1 1    0    0   12 o  1529.29   16.040 0.000000 0.000000 
1 1 1    0    0   14 o  440.323   4.7624 0.000000 0.000000 
1 1 1    0    0   16 o  570.777   6.0825 0.000000 0.000000 
1 1 1    0    0   18 o  556.889   5.9768 0.000000 0.000000 
1 1 1    0    0   20 o  440.091   4.9815 0.000000 0.000000 
1 1 1    0    0   22 o  369.457   4.5839 0.000000 0.000000 
1 1 1    0    0   24 o   43.614   16.341 0.000000 0.000000 
1 1 1    0    0   26 o   31.499   14.564 0.000000 0.000000 
1 1 1    0    0   28 o  241.495   5.7586 0.000000 0.000000 
1 1 1    0    0   30 o  384.841   5.4327 0.000000 0.000000 
1 1 1    0    0   32 o  264.688   5.1446 0.000000 0.000000 
1 1 1    0    0   34 o   27.094   13.105 0.000000 0.000000 
1 1 1    0    0   36 o  188.033   9.9614 0.000000 0.000000 
1 1 1    0    0   38 o   61.429   17.729 0.000000 0.000000 
1 1 1    0    0   40 o  104.257   9.1518 0.000000 0.000000 
1 1 1    0    1    1 x  ?   ?       ?      ? 
1 1 1    0    1    2 x  ?   ?       ?      ? 
1 1 1    0    1    3 o  780.602   5.7712 0.000000 0.000000 
1 1 1    0    1    4 o  158.572   1.3480 0.000000 0.000000 
1 1 1    0    1    5 o   19.062   4.5634 0.000000 0.000000 
1 1 1    0    1    6 o  251.601   1.9693 0.000000 0.000000 
1 1 1    0    1    7 o  1123.98   8.3099 0.000000 0.000000 
1 1 1    0    1    8 o  180.206   1.7058 0.000000 0.000000 
1 1 1    0    1    9 o  825.153   6.1112 0.000000 0.000000 
1 1 1    0    1   10 o  597.589   4.4501 0.000000 0.000000 
1 1 1    0    1   11 o  896.804   6.6466 0.000000 0.000000 
1 1 1    0    1   12 o  528.166   3.9646 0.000000 0.000000 
1 1 1    0    1   13 o  366.640   2.8585 0.000000 0.000000 
1 1 1    0    1   14 o  153.872   2.2960 0.000000 0.000000 
1 1 1    0    1   15 o  391.581   3.0514 0.000000 0.000000 
1 1 1    0    1   16 o   93.380   4.4046 0.000000 0.000000 
1 1 1    0    1   17 o  359.785   2.9181 0.000000 0.000000 
1 1 1    0    1   18 o  391.949   3.8521 0.000000 0.000000 
1 1 1    0    1   19 f  438.031   3.4649 0.000000 0.000000 
1 1 1    0    1   20 o   34.509   10.944 0.000000 0.000000 
1 1 1    0    1   21 o   89.900   5.9491 0.000000 0.000000 
1 1 1    0    1   22 o  637.773   4.8519 0.000000 0.000000 
1 1 1    0    1   23 o  316.284   3.3142 0.000000 0.000000 
1 1 1    0    1   24 o  548.426   4.3523 0.000000 0.000000 
1 1 1    0    1   25 o  308.635   4.5526 0.000000 0.000000 
1 1 1    0    1   26 o  294.074   3.6058 0.000000 0.000000 
1 1 1    0    1   27 o  418.521   3.8241 0.000000 0.000000 
1 1 1    0    1   28 o   98.322   9.2028 0.000000 0.000000 
1 1 1    0    1   29 o  157.902   5.6257 0.000000 0.000000 
1 1 1    0    1   30 o  287.455   3.8819 0.000000 0.000000 
1 1 1    0    1   31 o  110.053   7.6171 0.000000 0.000000 
1 1 1    0    1   32 o  207.460   4.1327 0.000000 0.000000 
1 1 1    0    1   33 o   19.691   9.9391 0.000000 0.000000 
1 1 1    0    1   34 o  163.628   4.7323 0.000000 0.000000 
1 1 1    0    1   35 o  117.844   6.5672 0.000000 0.000000 
1 1 1    0    1   36 o  102.417   7.8662 0.000000 0.000000 
1 1 1    0    1   37 o   39.502   14.382 0.000000 0.000000 
1 1 1    0    1   38 o   29.805   13.425 0.000000 0.000000 
1 1 1    0    1   39 o   47.355   14.827 0.000000 0.000000 
1 1 1    0    1   40 o   26.447   12.454 0.000000 0.000000 
1 1 1    0    2    0 o  154.260   1.6592 0.000000 0.000000 
1 1 1    0    2    1 x  ?   ?       ?      ? 
1 1 1    0    2    2 o  579.800   4.2908 0.000000 0.000000 
1 1 1    0    2    3 f  742.158   6.7199 0.000000 0.000000 
1 1 1    0    2    4 o  128.497   1.2583 0.000000 0.000000 
1 1 1    0    2    5 o  367.236   2.7519 0.000000 0.000000 
1 1 1    0    2    6 o  130.227   1.4727 0.000000 0.000000 
1 1 1    0    2    7 o  234.080   1.9124 0.000000 0.000000 
1 1 1    0    2    8 o  299.554   2.3362 0.000000 0.000000 
1 1 1    0    2    9 o  880.138   6.5149 0.000000 0.000000 
1 1 1    0    2   10 f   83.989   2.6102 0.000000 0.000000 
1 1 1    0    2   11 o  147.944   1.9962 0.000000 0.000000 
1 1 1    0    2   12 o  187.795   2.0327 0.000000 0.000000 
1 1 1    0    2   13 o  123.842   2.4868 0.000000 0.000000 
1 1 1    0    2   14 o  214.560   2.1935 0.000000 0.000000 
1 1 1    0    2   15 f  512.964   3.8805 0.000000 0.000000 
1 1 1    0    2   16 o  376.576   2.9877 0.000000 0.000000 
1 1 1    0    2   17 o  168.411   3.0973 0.000000 0.000000 
1 1 1    0    2   18 o  201.378   2.5427 0.000000 0.000000 
1 1 1    0    2   19 o   19.179   9.3513 0.000000 0.000000 
1 1 1    0    2   20 o   93.540   5.4944 0.000000 0.000000 
1 1 1    0    2   21 o  226.799   2.9939 0.000000 0.000000 
1 1 1    0    2   22 o   29.372   11.740 0.000000 0.000000 
1 1 1    0    2   23 o  168.884   4.1706 0.000000 0.000000 
1 1 1    0    2   24 o  174.031   4.4828 0.000000 0.000000 
1 1 1    0    2   25 o  169.847   4.8747 0.000000 0.000000 
1 1 1    0    2   26 o  142.319   6.2734 0.000000 0.000000 
1 1 1    0    2   27 o  239.604   4.1314 0.000000 0.000000 
1 1 1    0    2   28 o   92.609   13.788 0.000000 0.000000 
1 1 1    0    2   29 o  115.201   7.5880 0.000000 0.000000 
1 1 1    0    2   30 o  250.493   4.1251 0.000000 0.000000 
1 1 1    0    2   31 o   97.377   10.102 0.000000 0.000000 
1 1 1    0    2   32 o   23.241   11.114 0.000000 0.000000 
1 1 1    0    2   33 o  223.133   4.0440 0.000000 0.000000 
1 1 1    0    2   34 o   55.501   14.578 0.000000 0.000000 
1 1 1    0    2   35 o   85.281   9.7317 0.000000 0.000000 
1 1 1    0    2   36 o  180.344   4.5073 0.000000 0.000000 
1 1 1    0    2   37 o   85.919   9.2148 0.000000 0.000000 
1 1 1    0    2   38 f   29.376   13.103 0.000000 0.000000 
1 1 1    0    2   39 o   28.604   12.490 0.000000 0.000000 
1 1 1    0    2   40 o   20.357   9.8176 0.000000 0.000000 
1 1 1    0    3    1 o  819.204   8.5775 0.000000 0.000000 
1 1 1    0    3    2 o  430.488   3.6690 0.000000 0.000000 
1 1 1    0    3    3 o  259.660   1.9709 0.000000 0.000000 
1 1 1    0    3    4 o  320.061   2.4101 0.000000 0.000000 
1 1 1    0    3    5 o  161.969   1.4653 0.000000 0.000000 
1 1 1    0    3    6 f  604.493   4.4849 0.000000 0.000000 
1 1 1    0    3    7 o  491.765   3.6705 0.000000 0.000000 
1 1 1    0    3    8 o  1134.90   8.3965 0.000000 0.000000 
1 1 1    0    3    9 o  442.835   3.3363 0.000000 0.000000 
1 1 1    0    3   10 o   17.431   7.1062 0.000000 0.000000 
1 1 1    0    3   11 f  741.854   5.5104 0.000000 0.000000 
1 1 1    0    3   12 o   76.319   3.5613 0.000000 0.000000 
1 1 1    0    3   13 o  131.116   2.4283 0.000000 0.000000 
1 1 1    0    3   14 o  408.914   3.1582 0.000000 0.000000 
1 1 1    0    3   15 o  205.642   2.2643 0.000000 0.000000 
1 1 1    0    3   16 f   24.328   9.4935 0.000000 0.000000 
1 1 1    0    3   17 o   27.662   10.797 0.000000 0.000000 
1 1 1    0    3   18 o  481.921   3.7230 0.000000 0.000000 
1 1 1    0    3   19 o   14.662   7.4347 0.000000 0.000000 
1 1 1    0    3   20 o  601.984   4.5836 0.000000 0.000000 
1 1 1    0    3   21 o  523.661   4.0833 0.000000 0.000000 
1 1 1    0    3   22 o   30.319   11.693 0.000000 0.000000 
1 1 1    0    3   23 x  ?   ?       ?      ? 
1 1 1    0    3   24 o  115.181   6.5769 0.000000 0.000000 
1 1 1    0    3   25 o  174.370   4.9720 0.000000 0.000000 
1 1 1    0    3   26 o  105.668   7.9526 0.000000 0.000000 
1 1 1    0    3   27 o  198.578   4.5511 0.000000 0.000000 
1 1 1    0    3   28 o  356.032   3.6685 0.000000 0.000000 
1 1 1    0    3   29 o  125.248   7.2531 0.000000 0.000000 
1 1 1    0    3   30 o  133.049   6.7405 0.000000 0.000000 
1 1 1    0    3   31 o  275.497   3.8426 0.000000 0.000000 
1 1 1    0    3   32 o   28.506   12.581 0.000000 0.000000 
1 1 1    0    3   33 o  136.689   5.9682 0.000000 0.000000 
1 1 1    0    3   34 o   54.082   17.066 0.000000 0.000000 
1 1 1    0    3   35 f   26.337   12.085 0.000000 0.000000 
1 1 1    0    3   36 o   25.742   11.995 0.000000 0.000000 
1 1 1    0    3   37 o   23.591   11.291 0.000000 0.000000 
1 1 1    0    3   38 f   38.163   14.417 0.000000 0.000000 
1 1 1    0    3   39 o   20.373   10.058 0.000000 0.000000 
1 1 1    0    3   40 x  ?   ?       ?      ? 
1 1 1    0    4    0 o  849.828   8.8938 0.000000 0.000000 
1 1 1    0    4    1 o  244.170   1.8326 0.000000 0.000000 
1 1 1    0    4    2 o  272.514   2.5017 0.000000 0.000000 
1 1 1    0    4    3 o  377.379   2.8177 0.000000 0.000000 
1 1 1    0    4    4 o   21.567   4.7017 0.000000 0.000000 
1 1 1    0    4    5 o   38.023   2.8787 0.000000 0.000000 
1 1 1    0    4    6 o  450.772   3.3687 0.000000 0.000000 
1 1 1    0    4    7 o  253.410   2.0362 0.000000 0.000000 
1 1 1    0    4    8 o  539.898   4.0285 0.000000 0.000000 
1 1 1    0    4    9 o  286.969   2.2967 0.000000 0.000000 
1 1 1    0    4   10 o  427.538   3.2369 0.000000 0.000000 
1 1 1    0    4   11 o   33.912   7.8117 0.000000 0.000000 
1 1 1    0    4   12 o  201.487   2.0609 0.000000 0.000000 
1 1 1    0    4   13 o   34.193   7.5366 0.000000 0.000000 
1 1 1    0    4   14 o   78.880   3.7511 0.000000 0.000000 
1 1 1    0    4   15 o  342.087   3.3221 0.000000 0.000000 
1 1 1    0    4   16 o  548.785   4.1499 0.000000 0.000000 
1 1 1    0    4   17 o  161.259   2.6961 0.000000 0.000000 
1 1 1    0    4   18 o  713.421   5.3419 0.000000 0.000000 
1 1 1    0    4   19 f  375.449   3.1038 0.000000 0.000000 
1 1 1    0    4   20 o  488.027   3.8242 0.000000 0.000000 
1 1 1    0    4   21 o  183.272   3.3003 0.000000 0.000000 
1 1 1    0    4   22 o  834.558   6.2578 0.000000 0.000000 
1 1 1    0    4   23 o  353.065   4.8155 0.000000 0.000000 
1 1 1    0    4   24 o  218.950   3.9258 0.000000 0.000000 
1 1 1    0    4   25 o  387.218   3.6875 0.000000 0.000000 
1 1 1    0    4   26 o   16.488   8.5837 0.000000 0.000000 
1 1 1    0    4   27 o   42.329   14.759 0.000000 0.000000 
1 1 1    0    4   28 o  209.454   5.8177 0.000000 0.000000 
1 1 1    0    4   29 o  166.897   7.5461 0.000000 0.000000 
1 1 1    0    4   30 o   33.690   14.093 0.000000 0.000000 
1 1 1    0    4   31 o  125.696   6.9445 0.000000 0.000000 
1 1 1    0    4   32 o   76.060   11.649 0.000000 0.000000 
1 1 1    0    4   33 o   45.695   15.056 0.000000 0.000000 
1 1 1    0    4   34 o   86.511   13.417 0.000000 0.000000 
1 1 1    0    4   35 o   95.893   8.1488 0.000000 0.000000 
1 1 1    0    4   36 o   22.470   10.946 0.000000 0.000000 
1 1 1    0    4   37 o   29.095   12.145 0.000000 0.000000 
1 1 1    0    4   38 o   93.347   8.7252 0.000000 0.000000 
1 1 1    0    4   39 o   21.717   10.555 0.000000 0.000000 
1 1 1    0    5    1 o  243.056   1.8354 0.000000 0.000000 
1 1 1    0    5    2 o  818.570   6.0561 0.000000 0.000000 
1 1 1    0    5    3 o  140.573   1.5933 0.000000 0.000000 
1 1 1    0    5    4 o  245.750   2.2916 0.000000 0.000000 
1 1 1    0    5    5 o  406.976   3.0538 0.000000 0.000000 
1 1 1    0    5    6 o  115.745   1.5377 0.000000 0.000000 
1 1 1    0    5    7 o  287.181   2.2568 0.000000 0.000000 
1 1 1    0    5    8 o  503.131   3.7618 0.000000 0.000000 
1 1 1    0    5    9 o  361.953   2.7805 0.000000 0.000000 
1 1 1    0    5   10 o  368.203   2.8388 0.000000 0.000000 
1 1 1    0    5   11 o   20.559   7.8450 0.000000 0.000000 
1 1 1    0    5   12 o   84.222   3.1763 0.000000 0.000000 
1 1 1    0    5   13 o   23.582   8.6613 0.000000 0.000000 
1 1 1    0    5   14 o   88.718   3.4758 0.000000 0.000000 
1 1 1    0    5   15 o  228.564   2.2950 0.000000 0.000000 
1 1 1    0    5   16 o  192.921   2.3302 0.000000 0.000000 
1 1 1    0    5   17 o   61.165   6.3876 0.000000 0.000000 
1 1 1    0    5   18 o  634.809   5.8546 0.000000 0.000000 
1 1 1    0    5   19 o   40.925   9.6429 0.000000 0.000000 
1 1 1    0    5   20 o  361.029   3.1346 0.000000 0.000000 
1 1 1    0    5   21 o  215.930   3.0766 0.000000 0.000000 
1 1 1    0    5   22 o  376.844   3.3465 0.000000 0.000000 
1 1 1    0    5   23 o  435.801   3.6941 0.000000 0.000000 
1 1 1    0    5   24 f  787.690   5.9683 0.000000 0.000000 
1 1 1    0    5   25 o  249.887   3.7401 0.000000 0.000000 
1 1 1    0    5   26 o  234.697   5.2007 0.000000 0.000000 
1 1 1    0    5   27 o   42.702   16.852 0.000000 0.000000 
1 1 1    0    5   28 o   96.996   11.049 0.000000 0.000000 
1 1 1    0    5   29 o   61.508   15.635 0.000000 0.000000 
1 1 1    0    5   30 o  167.345   5.3483 0.000000 0.000000 
1 1 1    0    5   31 o   27.181   12.527 0.000000 0.000000 
1 1 1    0    5   32 o   72.890   12.155 0.000000 0.000000 
1 1 1    0    5   33 o   22.451   10.885 0.000000 0.000000 
1 1 1    0    5   34 o  109.056   7.4923 0.000000 0.000000 
1 1 1    0    5   35 o   98.835   8.0771 0.000000 0.000000 
1 1 1    0    5   36 o   59.648   10.824 0.000000 0.000000 
1 1 1    0    5   37 o   22.998   11.169 0.000000 0.000000 
1 1 1    0    5   38 o  104.591   7.8877 0.000000 0.000000 
1 1 1    0    5   39 f   91.343   8.5159 0.000000 0.000000 
1 1 1    0    6    0 o  498.575   5.2277 0.000000 0.000000 
1 1 1    0    6    1 o   31.537   2.5004 0.000000 0.000000 
1 1 1    0    6    2 f  291.613   2.1910 0.000000 0.000000 
1 1 1    0    6    3 o  561.985   4.1644 0.000000 0.000000 
1 1 1    0    6    4 o  648.499   5.5496 0.000000 0.000000 
1 1 1    0    6    5 o  554.033   4.1210 0.000000 0.000000 
1 1 1    0    6    6 o  871.831   6.4546 0.000000 0.000000 
1 1 1    0    6    7 o  490.188   3.6646 0.000000 0.000000 
1 1 1    0    6    8 o  126.062   2.5765 0.000000 0.000000 
1 1 1    0    6    9 o   43.667   4.5599 0.000000 0.000000 
1 1 1    0    6   10 o  557.421   4.1699 0.000000 0.000000 
1 1 1    0    6   11 f  268.620   2.2516 0.000000 0.000000 
1 1 1    0    6   12 o  371.032   2.8871 0.000000 0.000000 
1 1 1    0    6   13 o  161.600   2.1828 0.000000 0.000000 
1 1 1    0    6   14 o  403.474   3.7940 0.000000 0.000000 
1 1 1    0    6   15 o  189.368   2.3039 0.000000 0.000000 
1 1 1    0    6   16 o   23.711   9.0302 0.000000 0.000000 
1 1 1    0    6   17 o   56.221   7.8376 0.000000 0.000000 
1 1 1    0    6   18 o  152.868   4.1968 0.000000 0.000000 
1 1 1    0    6   19 o  740.692   5.5570 0.000000 0.000000 
1 1 1    0    6   20 o  436.000   4.3654 0.000000 0.000000 
1 1 1    0    6   21 o  182.613   3.4657 0.000000 0.000000 
1 1 1    0    6   22 o   34.407   12.244 0.000000 0.000000 
1 1 1    0    6   23 o  410.283   3.6066 0.000000 0.000000 
1 1 1    0    6   24 o   65.338   13.668 0.000000 0.000000 
1 1 1    0    6   25 o  165.963   6.9640 0.000000 0.000000 
1 1 1    0    6   26 o  225.818   4.3234 0.000000 0.000000 
1 1 1    0    6   27 o   52.502   15.076 0.000000 0.000000 
1 1 1    0    6   28 o  157.208   5.5505 0.000000 0.000000 
1 1 1    0    6   29 o  231.127   4.2363 0.000000 0.000000 
1 1 1    0    6   30 o   61.912   15.020 0.000000 0.000000 
1 1 1    0    6   31 o  355.653   4.4851 0.000000 0.000000 
1 1 1    0    6   32 o  144.666   5.6787 0.000000 0.000000 
1 1 1    0    6   33 o  100.823   8.0346 0.000000 0.000000 
1 1 1    0    6   34 o   38.463   14.635 0.000000 0.000000 
1 1 1    0    6   35 o   75.875   11.628 0.000000 0.000000 
1 1 1    0    6   36 o   21.531   10.588 0.000000 0.000000 
1 1 1    0    6   37 o  182.597   4.5805 0.000000 0.000000 
1 1 1    0    6   38 o   21.666   10.697 0.000000 0.000000 
1 1 1    0    6   39 o   39.848   14.343 0.000000 0.000000 
1 1 1    0    7    1 o  177.276   1.4452 0.000000 0.000000 
1 1 1    0    7    2 o  174.520   1.4325 0.000000 0.000000 
1 1 1    0    7    3 o  412.969   3.0760 0.000000 0.000000 
1 1 1    0    7    4 o   71.192   1.4852 0.000000 0.000000 
1 1 1    0    7    5 o  666.271   5.6936 0.000000 0.000000 
1 1 1    0    7    6 o  316.443   2.4460 0.000000 0.000000 
1 1 1    0    7    7 o  789.131   5.8509 0.000000 0.000000 
1 1 1    0    7    8 o  189.767   2.0381 0.000000 0.000000 
1 1 1    0    7    9 o   82.135   2.6171 0.000000 0.000000 
1 1 1    0    7   10 o  246.096   2.1164 0.000000 0.000000 
1 1 1    0    7   11 o  356.347   2.7895 0.000000 0.000000 
1 1 1    0    7   12 o  162.774   2.0576 0.000000 0.000000 
1 1 1    0    7   13 o  263.200   2.3193 0.000000 0.000000 
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1 1 1    0   35   13 o   24.121   10.763 0.000000 0.000000 
1 1 1    0   35   14 o   19.898   9.2911 0.000000 0.000000 
1 1 1    0   35   15 o   19.761   9.4594 0.000000 0.000000 
1 1 1    0   35   16 o   94.248   5.5642 0.000000 0.000000 
1 1 1    0   35   17 o   17.930   8.5366 0.000000 0.000000 
1 1 1    0   36    0 o   72.400   11.359 0.000000 0.000000 
1 1 1    0   36    1 o   39.227   10.578 0.000000 0.000000 
1 1 1    0   36    2 o   29.746   11.120 0.000000 0.000000 
1 1 1    0   36    3 f   42.966   10.773 0.000000 0.000000 
1 1 1    0   36    4 o   25.888   10.720 0.000000 0.000000 
1 1 1    0   36    5 o   21.889   9.8427 0.000000 0.000000 
1 1 1    0   36    6 o   56.184   9.4737 0.000000 0.000000 
1 1 1    0   36    7 o   35.912   11.661 0.000000 0.000000 
1 1 1    0   36    8 o   31.757   12.108 0.000000 0.000000 
1 1 1    0   36    9 o  113.856   5.1427 0.000000 0.000000 
1 1 1    0   36   10 o   71.808   7.8940 0.000000 0.000000 
1 1 1    0   36   11 o   56.561   10.760 0.000000 0.000000 
1 1 1    0   36   12 o   32.343   11.810 0.000000 0.000000 
1 1 1    0   36   13 f   18.249   8.9144 0.000000 0.000000 
1 1 1    0   36   14 o   79.054   6.5278 0.000000 0.000000 
1 1 1    0   36   15 o   24.080   10.457 0.000000 0.000000 
1 1 1    0   37    1 o   49.976   11.025 0.000000 0.000000 
1 1 1    0   37    2 o   66.696   7.9420 0.000000 0.000000 
1 1 1    0   37    3 o   26.772   10.867 0.000000 0.000000 
1 1 1    0   37    4 o   19.328   9.2132 0.000000 0.000000 
1 1 1    0   37    5 o   25.805   10.808 0.000000 0.000000 
1 1 1    0   37    6 o   32.242   11.652 0.000000 0.000000 
1 1 1    0   37    7 o   20.736   9.3146 0.000000 0.000000 
1 1 1    0   37    8 o   25.156   11.083 0.000000 0.000000 
1 1 1    0   37    9 o   26.128   11.209 0.000000 0.000000 
1 1 1    0   37   10 o   17.000   8.4688 0.000000 0.000000 
1 1 1    0   37   11 o   25.853   10.971 0.000000 0.000000 
1 1 1    0   37   12 o   76.434   6.9880 0.000000 0.000000 
1 1 1    0   38    0 o   17.683   8.9767 0.000000 0.000000 
1 1 1    0   38    1 o   25.405   10.549 0.000000 0.000000 
1 1 1    0   38    2 o   22.755   10.105 0.000000 0.000000 
1 1 1    0   38    3 o   39.517   9.6956 0.000000 0.000000 
1 1 1    0   38    4 o   25.027   10.356 0.000000 0.000000 
1 1 1    0   38    5 o   20.801   9.6880 0.000000 0.000000 
1 1 1    0   38    6 o   20.380   9.5046 0.000000 0.000000 
1 1 1    0   38    7 o   15.606   7.8327 0.000000 0.000000 
1 1 1    0   38    8 o   21.114   9.8416 0.000000 0.000000 
1 1 1    0   38    9 x  ?   ?       ?      ? 
1 1 1    0   39    1 x  ?   ?       ?      ? 
1 1 1    0   39    2 x  ?   ?       ?      ? 
1 1 1    1    0    1 o   94.343   1.1909 0.000000 0.000000 
1 1 1    1    0    2 o  197.931   1.5134 0.000000 0.000000 
1 1 1    1    0    3 o   83.641   1.4888 0.000000 0.000000 
1 1 1    1    0    4 o  561.717   4.1601 0.000000 0.000000 
1 1 1    1    0    5 o  347.403   2.6094 0.000000 0.000000 
1 1 1    1    0    6 o  406.791   3.0435 0.000000 0.000000 
1 1 1    1    0    7 o   90.258   1.9117 0.000000 0.000000 
1 1 1    1    0    8 o  238.124   1.9524 0.000000 0.000000 
1 1 1    1    0    9 o  165.757   1.7541 0.000000 0.000000 
1 1 1    1    0   10 o  438.060   3.3077 0.000000 0.000000 
1 1 1    1    0   11 o  217.923   2.0162 0.000000 0.000000 
1 1 1    1    0   12 f  179.133   2.0505 0.000000 0.000000 
1 1 1    1    0   13 o   69.949   4.1410 0.000000 0.000000 
1 1 1    1    0   14 o  194.440   2.1566 0.000000 0.000000 
1 1 1    1    0   15 o  608.444   4.5592 0.000000 0.000000 
1 1 1    1    0   16 o  241.184   2.3781 0.000000 0.000000 
1 1 1    1    0   17 o  562.676   4.2515 0.000000 0.000000 
1 1 1    1    0   18 o  103.853   4.9127 0.000000 0.000000 
1 1 1    1    0   19 o   42.357   10.080 0.000000 0.000000 
1 1 1    1    0   20 o  317.366   2.9071 0.000000 0.000000 
1 1 1    1    0   21 o  329.912   3.0022 0.000000 0.000000 
1 1 1    1    0   22 o  178.930   3.6458 0.000000 0.000000 
1 1 1    1    0   23 o  876.684   6.5739 0.000000 0.000000 
1 1 1    1    0   24 o  140.673   5.2520 0.000000 0.000000 
1 1 1    1    0   25 o  537.622   4.3325 0.000000 0.000000 
1 1 1    1    0   26 o  207.748   4.4493 0.000000 0.000000 
1 1 1    1    0   27 o  229.365   4.3087 0.000000 0.000000 
1 1 1    1    0   28 f   83.988   11.204 0.000000 0.000000 
1 1 1    1    0   29 o  100.348   8.9172 0.000000 0.000000 
1 1 1    1    0   30 o  174.504   5.4548 0.000000 0.000000 
1 1 1    1    0   31 o   26.543   12.252 0.000000 0.000000 
1 1 1    1    0   32 o  346.349   3.5536 0.000000 0.000000 
1 1 1    1    0   33 o   71.702   12.388 0.000000 0.000000 
1 1 1    1    0   34 o  144.126   5.5945 0.000000 0.000000 
1 1 1    1    0   35 o  112.093   9.7620 0.000000 0.000000 
1 1 1    1    0   36 o   27.952   11.552 0.000000 0.000000 
1 1 1    1    0   37 o  104.688   7.9062 0.000000 0.000000 
1 1 1    1    0   38 o   92.163   8.8239 0.000000 0.000000 
1 1 1    1    0   39 o   23.840   11.261 0.000000 0.000000 
1 1 1    1    0   40 f   32.358   12.821 0.000000 0.000000 
1 1 1    1    1    0 x  ?   ?       ?      ? 
1 1 1    1    1    1 x  ?   ?       ?      ? 
1 1 1    1    1    2 o  872.560   12.944      ?      ? 
1 1 1    1    1    3 o  944.315   6.3713 6.804199 12.74255 
1 1 1    1    1    4 o  248.978   1.3489 4.631027 2.697879 
1 1 1    1    1    5 o  461.917   2.4291 1.259338 4.858282 
1 1 1    1    1    6 o  401.929   2.1270 0.5990601E-01 4.253951 
1 1 1    1    1    7 o  284.483   1.5633 -0.4114990 3.126696 
1 1 1    1    1    8 o  610.015   3.2022 3.232300 6.404488 
1 1 1    1    1    9 o  259.899   1.4954 -3.811005 2.990805 
1 1 1    1    1   10 o  688.420   3.6131 -0.2794800 7.226286 
1 1 1    1    1   11 o  322.647   1.7980 0.3093262 3.595955 
1 1 1    1    1   12 o  206.685   1.4483 -3.329071 2.896568 
1 1 1    1    1   13 o  198.607   1.4785 -1.166550 2.956984 
1 1 1    1    1   14 o  372.749   2.0641 2.231964 4.128227 
1 1 1    1    1   15 o  222.119   1.5944 0.3610840 3.188845 
1 1 1    1    1   16 o  101.382   2.3867 -2.875031 4.773350 
1 1 1    1    1   17 o  673.189   3.8482 2.082031 7.696301 
1 1 1    1    1   18 o  350.305   2.2211 5.371063 4.442266 
1 1 1    1    1   19 o   29.200   7.7345 -7.388948 15.46899 
1 1 1    1    1   20 o  540.807   2.9418 -2.324036 5.883560 
1 1 1    1    1   21 o  295.295   2.0800 -4.031708 4.160048 
1 1 1    1    1   22 o  466.384   2.6488 -2.215332 5.297571 
1 1 1    1    1   23 o  474.876   2.7439 -1.560242 5.487713 
1 1 1    1    1   24 o  576.882   3.2010 -4.423096 6.401999 
1 1 1    1    1   25 f  257.712   2.8618 -8.222153 5.723683 
1 1 1    1    1   26 o  199.092   3.2168 -5.085434 6.433524 
1 1 1    1    1   27 o   74.557   8.2156 4.725761 16.43111 
1 1 1    1    1   28 o   86.245   7.2298 3.668968 14.45962 
1 1 1    1    1   29 o   56.120   10.462 -0.4612846 20.92346 
1 1 1    1    1   30 o  192.849   3.4409 4.364899 6.881720 
1 1 1    1    1   31 o  130.108   4.5949 12.54543 9.189717 
1 1 1    1    1   32 o  116.395   4.7581 9.924049 9.516267 
1 1 1    1    1   33 o  132.563   4.6216 -10.21677 9.243231 
1 1 1    1    1   34 o   67.414   8.3353 -19.95456 16.67066 
1 1 1    1    1   35 o  107.079   4.9634 0.4933777 9.926754 
1 1 1    1    1   36 f   38.858   10.233 1.258114 20.46605 
1 1 1    1    1   37 o   28.186   9.0779 -1.157410 18.15581 
1 1 1    1    1   38 o   63.834   8.7899 26.39581 17.57989 
1 1 1    1    1   39 o   41.368   10.066 -10.92630 20.13107 
1 1 1    1    1   40 o   21.795   7.5370 -1.969929 15.07404 
1 1 1    1    2    0 o  357.091   3.2431 0.000000 0.000000 
1 1 1    1    2    1 x  ?   ?       ?      ? 
1 1 1    1    2    2 o  366.502   1.9253 3.296326 3.850583 
1 1 1    1    2    3 o  252.531   1.4539 -1.894226 2.907703 
1 1 1    1    2    4 o  447.739   2.3532 2.493622 4.706302 
1 1 1    1    2    5 o  446.181   2.3486 7.857666 4.697268 
1 1 1    1    2    6 o  224.331   1.2870 4.560822 2.573996 
1 1 1    1    2    7 o  1133.31   5.9224 11.57214 11.84490 
1 1 1    1    2    8 o  358.997   1.9335 2.955353 3.866920 
1 1 1    1    2    9 o  435.406   2.3172 0.2810669 4.634392 
1 1 1    1    2   10 o  266.966   1.5442 0.5978394 3.088342 
1 1 1    1    2   11 o  513.891   2.7231 -2.961304 5.446152 
1 1 1    1    2   12 o  350.852   1.9430 -0.4996338 3.886005 
1 1 1    1    2   13 o  346.851   1.9381 -3.882721 3.876239 
1 1 1    1    2   14 o  342.936   1.9356 1.157867 3.871277 
1 1 1    1    2   15 o  276.569   1.7118 -2.728699 3.423688 
1 1 1    1    2   16 f  441.228   2.4030 -5.566284 4.806015 
1 1 1    1    2   17 o   30.944   7.1000 4.551617 14.20008 
1 1 1    1    2   18 o  311.272   1.9115 2.667847 3.823027 
1 1 1    1    2   19 o  310.147   1.9765 -0.7752686 3.952959 
1 1 1    1    2   20 o  536.261   2.9205 1.076111 5.840907 
1 1 1    1    2   21 o  288.667   2.0711 0.3767395 4.142228 
1 1 1    1    2   22 o   97.088   4.2586 -0.2015915 8.517248 
1 1 1    1    2   23 x  ?   ?       ?      ? 
1 1 1    1    2   24 o   69.356   7.5828 2.710342 15.16565 
1 1 1    1    2   25 o  129.530   4.4730 -0.1792908 8.945932 
1 1 1    1    2   26 o  151.437   3.9997 -7.058670 7.999420 
1 1 1    1    2   27 o  450.984   2.7912 -2.146179 5.582492 
1 1 1    1    2   28 o  348.720   2.6071 -6.389038 5.214204 
1 1 1    1    2   29 o  255.690   2.7502 -1.878983 5.500414 
1 1 1    1    2   30 o  103.350   5.9031 -7.294647 11.80628 
1 1 1    1    2   31 o  164.080   4.0748 -1.051361 8.149669 
1 1 1    1    2   32 o  119.465   4.5697 8.691223 9.139333 
1 1 1    1    2   33 o   75.210   7.2813 0.3723907E-01 14.56255 
1 1 1    1    2   34 o   67.199   9.0771 36.80205 18.15430 
1 1 1    1    2   35 o  110.996   5.5054 -15.88847 11.01074 
1 1 1    1    2   36 o   35.630   10.007 -2.424042 20.01492 
1 1 1    1    2   37 o   27.667   9.0432 0.1108379 18.08631 
1 1 1    1    2   38 o   54.530   9.6529 14.48730 19.30588 
1 1 1    1    2   39 o   28.273   8.9214 -2.822668 17.84286 
1 1 1    1    2   40 o   19.375   6.6834 0.8993549 13.36689 
1 1 1    1    3    0 o  276.554   2.3834 0.000000 0.000000 
1 1 1    1    3    1 o  878.605   9.2171 -12.53998 18.43420 
1 1 1    1    3    2 o  378.987   1.9923 -3.912872 3.984619 
1 1 1    1    3    3 o  573.281   3.0031 -0.2191772 6.006114 
1 1 1    1    3    4 o  493.129   2.6733 -2.757507 5.346671 
1 1 1    1    3    5 o   52.616   1.5920 -5.465912 3.184010 
1 1 1    1    3    6 o  583.567   3.0622 0.4064941E-01 6.124493 
1 1 1    1    3    7 o  182.257   1.1928 -3.455551 2.385698 
1 1 1    1    3    8 o  360.931   1.9472 -0.5920715 3.894344 
1 1 1    1    3    9 o  545.141   2.8752 -1.993042 5.750422 
1 1 1    1    3   10 o  265.823   1.5432 -1.436249 3.086321 
1 1 1    1    3   11 o  435.955   2.3380 -2.629242 4.675963 
1 1 1    1    3   12 o  286.970   1.6794 0.5989075 3.358862 
1 1 1    1    3   13 o  316.226   1.8101 -0.1763916 3.620116 
1 1 1    1    3   14 o  233.896   1.5707 -0.9403076 3.141351 
1 1 1    1    3   15 o  219.838   1.7117 -3.128448 3.423336 
1 1 1    1    3   16 o  254.107   1.6756 2.080643 3.351286 
1 1 1    1    3   17 o   66.134   4.8314 15.61777 9.662816 
1 1 1    1    3   18 o  376.490   2.1617 -3.920624 4.323347 
1 1 1    1    3   19 o  228.159   1.9265 3.492081 3.852975 
1 1 1    1    3   20 o  179.290   2.2295 -0.2383423 4.458943 
1 1 1    1    3   21 o  503.770   2.7880 -0.1928101 5.576022 
1 1 1    1    3   22 o  234.480   2.2197 -4.746109 4.439352 
1 1 1    1    3   23 o  186.527   2.8051 -9.563004 5.610233 
1 1 1    1    3   24 o  113.424   4.6168 -9.169685 9.233627 
1 1 1    1    3   25 o  203.436   3.0513 2.758255 6.102678 
1 1 1    1    3   26 o  407.192   2.6589 1.011780 5.317883 
1 1 1    1    3   27 o  290.315   2.6618 -0.5537415 5.323581 
1 1 1    1    3   28 o  148.773   4.8496 -6.125961 9.699248 
1 1 1    1    3   29 o  269.340   2.8024 -10.76318 5.604847 
1 1 1    1    3   30 o  165.856   3.8838 -8.497681 7.767553 
1 1 1    1    3   31 o   35.500   9.7000 -19.59148 19.40003 
1 1 1    1    3   32 o  202.512   3.2392 -3.809372 6.478477 
1 1 1    1    3   33 o   36.806   9.7329 -15.68792 19.46573 
1 1 1    1    3   34 o  190.547   3.2249 -1.316818 6.449810 
1 1 1    1    3   35 o   62.856   9.5571 3.848797 19.11413 
1 1 1    1    3   36 o   65.268   8.6999 -0.8532715E-01 17.39972 
1 1 1    1    3   37 o   38.378   10.021 13.52472 20.04240 
1 1 1    1    3   38 o   22.466   7.7038 -1.243294 15.40761 
1 1 1    1    3   39 o   69.273   7.6490 9.415237 15.29796 
1 1 1    1    3   40 x  ?   ?       ?      ? 
1 1 1    1    4    0 o  478.114   3.5412 0.000000 0.000000 
1 1 1    1    4    1 o  333.910   1.7588 -3.207153 3.517660 
1 1 1    1    4    2 o  278.865   1.4816 4.973572 2.963296 
1 1 1    1    4    3 o  532.957   2.7936 6.076782 5.587260 
1 1 1    1    4    4 o  252.473   1.3659 0.9765015 2.731856 
1 1 1    1    4    5 o  770.893   4.0336 -2.861145 8.067229 
1 1 1    1    4    6 o  531.499   2.7949 7.721069 5.589853 
1 1 1    1    4    7 o  218.831   1.4882 -2.899673 2.976479 
1 1 1    1    4    8 o  207.207   1.3042 3.019669 2.608473 
1 1 1    1    4    9 o  282.484   1.5974 -0.8619385 3.194855 
1 1 1    1    4   10 o  355.125   1.9376 -4.313843 3.875185 
1 1 1    1    4   11 o  746.747   3.9217 -8.469177 7.843339 
1 1 1    1    4   12 o  663.939   3.4967 1.485840 6.993483 
1 1 1    1    4   13 o  106.873   1.9636 1.177795 3.927235 
1 1 1    1    4   14 o   52.610   3.9207 2.979424 7.841311 
1 1 1    1    4   15 o  313.921   1.9757 2.858459 3.951458 
1 1 1    1    4   16 o  354.271   2.0176 -5.229034 4.035109 
1 1 1    1    4   17 o  157.799   1.8982 1.942566 3.796386 
1 1 1    1    4   18 o  405.749   2.4753 2.356720 4.950553 
1 1 1    1    4   19 o  112.940   3.2900 -7.417244 6.580010 
1 1 1    1    4   20 o   39.078   8.0748 -17.02559 16.14964 
1 1 1    1    4   21 o  314.537   2.1179 2.026337 4.235810 
1 1 1    1    4   22 o  394.468   2.3891 2.542450 4.778255 
1 1 1    1    4   23 o  223.724   3.6100 -6.442535 7.220029 
1 1 1    1    4   24 o  434.671   2.6505 -0.2716980 5.301067 
1 1 1    1    4   25 o  313.499   2.5252 -1.301758 5.050391 
1 1 1    1    4   26 o   63.761   9.3199 38.44799 18.63987 
1 1 1    1    4   27 o  149.027   4.2161 -5.149567 8.432148 
1 1 1    1    4   28 o  281.578   2.6916 -3.820831 5.383109 
1 1 1    1    4   29 o   48.994   10.960 3.291279 21.92044 
1 1 1    1    4   30 o  143.194   4.8584 5.038818 9.716724 
1 1 1    1    4   31 o  199.856   3.1100 9.008118 6.219913 
1 1 1    1    4   32 o   52.563   8.8096 35.88740 17.61912 
1 1 1    1    4   33 o   80.665   7.0684 -19.37667 14.13671 
1 1 1    1    4   34 o  108.606   5.2427 -5.600685 10.48549 
1 1 1    1    4   35 o   27.742   8.9442 -2.988682 17.88849 
1 1 1    1    4   36 o   96.492   5.9020 -5.410957 11.80395 
1 1 1    1    4   37 o   33.325   9.6540 9.814184 19.30801 
1 1 1    1    4   38 o   67.889   8.3794 -11.42308 16.75887 
1 1 1    1    4   39 o   46.056   10.045 -4.293633 20.09045 
1 1 1    1    5    0 o  232.495   1.7608 0.000000 0.000000 
1 1 1    1    5    1 o  509.002   2.8775 -4.652161 5.754966 
1 1 1    1    5    2 o  249.799   1.5367 -5.139114 3.073354 
1 1 1    1    5    3 o  274.210   1.4718 3.711823 2.943658 
1 1 1    1    5    4 o  313.026   1.6695 -0.8055115 3.339098 
1 1 1    1    5    5 o  422.417   2.2984 6.121033 4.596880 
1 1 1    1    5    6 f  313.236   1.7010 -2.657928 3.401966 
1 1 1    1    5    7 o  439.204   2.3320 -0.5798340E-02 4.664047 
1 1 1    1    5    8 o  805.744   4.2211 -3.199890 8.442130 
1 1 1    1    5    9 o  265.909   1.5401 5.334412 3.080128 
1 1 1    1    5   10 o  721.181   3.7872 -0.2746582 7.574374 
1 1 1    1    5   11 o  504.200   2.6829 0.1167297 5.365757 
1 1 1    1    5   12 o  439.185   2.3647 0.2364502 4.729359 
1 1 1    1    5   13 o  645.187   3.4064 2.825684 6.812725 
1 1 1    1    5   14 o  225.441   1.5722 1.245392 3.144442 
1 1 1    1    5   15 o  248.648   1.6416 -2.921768 3.283283 
1 1 1    1    5   16 o  515.340   2.7692 0.9462891 5.538500 
1 1 1    1    5   17 o  150.837   1.9864 -2.486710 3.972797 
1 1 1    1    5   18 o  526.208   2.8447 1.768433 5.689318 
1 1 1    1    5   19 o  207.240   2.0052 -3.120316 4.010345 
1 1 1    1    5   20 o  102.719   3.6525 -2.398376 7.304974 
1 1 1    1    5   21 o  419.234   2.4499 -2.121735 4.899809 
1 1 1    1    5   22 o  349.030   2.2851 1.821320 4.570256 
1 1 1    1    5   23 o  238.117   3.2112 -3.448502 6.422307 
1 1 1    1    5   24 o  278.803   2.9861 3.471252 5.972143 
1 1 1    1    5   25 o   38.749   10.382 -5.129482 20.76471 
1 1 1    1    5   26 o  397.427   3.5744 14.54456 7.148845 
1 1 1    1    5   27 o  219.957   2.9737 -1.490555 5.947371 
1 1 1    1    5   28 o   48.655   11.835 4.998993 23.66955 
1 1 1    1    5   29 o   38.950   10.399 18.54715 20.79851 
1 1 1    1    5   30 o  200.327   3.3253 1.259460 6.650613 
1 1 1    1    5   31 o   48.318   10.105 -21.19151 20.21087 
1 1 1    1    5   32 o   79.633   7.0571 -11.10577 14.11416 
1 1 1    1    5   33 o   69.778   8.2319 -11.85571 16.46378 
1 1 1    1    5   34 o   96.694   6.2089 -5.508972 12.41772 
1 1 1    1    5   35 o  131.652   4.1357 10.19668 8.271461 
1 1 1    1    5   36 o   77.290   6.8008 2.635445 13.60165 
1 1 1    1    5   37 o   80.367   6.8703 -7.436974 13.74067 
1 1 1    1    5   38 o   60.246   9.3947 -29.09400 18.78931 
1 1 1    1    5   39 o   23.741   7.9542 4.593985 15.90849 
1 1 1    1    6    0 o  159.823   1.3169 0.000000 0.000000 
1 1 1    1    6    1 o  756.962   3.9588 -3.726318 7.917667 
1 1 1    1    6    2 o  365.835   1.9903 -1.243073 3.980681 
1 1 1    1    6    3 o  510.111   2.6779 3.944183 5.355854 
1 1 1    1    6    4 o  532.591   2.7958 0.9345703 5.591511 
1 1 1    1    6    5 o  967.103   5.0603 -11.90674 10.12055 
1 1 1    1    6    6 o  454.121   2.4794 -2.743988 4.958827 
1 1 1    1    6    7 o  472.588   2.5018 3.183594 5.003509 
1 1 1    1    6    8 o  677.081   3.5551 -2.266785 7.110232 
1 1 1    1    6    9 o  423.201   2.2643 -4.065369 4.528566 
1 1 1    1    6   10 o  434.622   2.3291 -0.2996521 4.658155 
1 1 1    1    6   11 o  389.617   2.1221 -4.496429 4.244221 
1 1 1    1    6   12 o  476.787   2.5527 -2.272339 5.105497 
1 1 1    1    6   13 o  336.215   1.9063 -0.5114441 3.812544 
1 1 1    1    6   14 o  404.435   2.5458 5.716705 5.091694 
1 1 1    1    6   15 o  213.212   1.5994 -3.487366 3.198849 
1 1 1    1    6   16 o  335.044   1.9583 -2.818420 3.916600 
1 1 1    1    6   17 o  274.245   1.8226 2.029022 3.645225 
1 1 1    1    6   18 o  594.643   3.1881 -2.321411 6.376268 
1 1 1    1    6   19 o  271.091   1.9755 0.3601074E-02 3.950938 
1 1 1    1    6   20 o  421.078   2.4404 -4.000427 4.880785 
1 1 1    1    6   21 o  388.559   2.3459 -1.968964 4.691825 
1 1 1    1    6   22 o  530.795   2.9663 1.179382 5.932615 
1 1 1    1    6   23 o  497.608   2.8708 -1.858612 5.741568 
1 1 1    1    6   24 o  285.582   3.6318 -40.98914 7.263637 
1 1 1    1    6   25 o  287.622   2.5532 -0.4943542 5.106364 
1 1 1    1    6   26 o   64.560   9.1340 58.19681 18.26797 
1 1 1    1    6   27 o  325.691   2.5601 1.498932 5.120261 
1 1 1    1    6   28 o  193.449   3.2948 -5.120178 6.589594 
1 1 1    1    6   29 o  155.059   3.9900 1.141266 7.980067 
1 1 1    1    6   30 f  166.907   3.7293 9.345322 7.458599 
1 1 1    1    6   31 o  156.605   3.7426 -5.179062 7.485257 
1 1 1    1    6   32 o  120.065   5.1004 -4.446182 10.20080 
1 1 1    1    6   33 o   57.373   9.5257 8.602238 19.05149 
1 1 1    1    6   34 x  ?   ?       ?      ? 
1 1 1    1    6   35 o   49.252   9.0765 -29.31852 18.15298 
1 1 1    1    6   36 o   47.694   10.242 8.373798 20.48493 
1 1 1    1    6   37 o   80.407   7.0638 -7.993500 14.12756 
1 1 1    1    6   38 o   41.719   9.9717 -25.30736 19.94341 
1 1 1    1    6   39 o   23.356   7.7956 7.171787 15.59123 
1 1 1    1    7    0 o   16.852   5.3059 0.000000 0.000000 
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1 1 1    1    7    2 o  314.703   1.7279 2.540741 3.455755 
1 1 1    1    7    3 o  548.083   2.9718 4.798645 5.943652 
1 1 1    1    7    4 o  735.149   3.8489 -1.855042 7.697703 
1 1 1    1    7    5 o  315.169   1.9416 3.084259 3.883241 
1 1 1    1    7    6 o  884.992   4.7832 1.474304 9.566352 
1 1 1    1    7    7 o  891.331   4.8220 -1.700317 9.644051 
1 1 1    1    7    8 o  625.463   3.2901 -6.092224 6.580138 
1 1 1    1    7    9 o  526.909   2.7906 -3.352478 5.581240 
1 1 1    1    7   10 o  260.453   1.5666 -1.467407 3.133275 
1 1 1    1    7   11 f  331.015   1.8602 0.7252502 3.720459 
1 1 1    1    7   12 o  180.857   1.4387 2.893082 2.877331 
1 1 1    1    7   13 o  294.759   1.7473 -1.299988 3.494560 
1 1 1    1    7   14 o  463.188   2.5048 1.763336 5.009532 
1 1 1    1    7   15 o  564.990   3.0111 1.447388 6.022296 
1 1 1    1    7   16 o  176.305   1.7475 -5.113953 3.495019 
1 1 1    1    7   17 o  210.984   1.7881 2.282501 3.576113 
1 1 1    1    7   18 o  673.905   3.5812 -8.068726 7.162437 
1 1 1    1    7   19 o  323.916   2.2624 -0.8586426 4.524822 
1 1 1    1    7   20 o  499.741   2.7652 0.2880859E-01 5.530478 
1 1 1    1    7   21 o  558.867   3.0572 2.251099 6.114442 
1 1 1    1    7   22 o  257.931   2.6545 2.936646 5.309041 
1 1 1    1    7   23 o  165.485   3.1730 3.089600 6.346042 
1 1 1    1    7   24 o  164.540   3.7175 17.37257 7.435095 
1 1 1    1    7   25 o  169.433   3.5600 -3.908859 7.119911 
1 1 1    1    7   26 o  336.016   2.6367 3.366302 5.273315 
1 1 1    1    7   27 o  208.196   3.1354 0.4855347 6.270810 
1 1 1    1    7   28 o  241.691   3.1344 -3.906799 6.268816 
1 1 1    1    7   29 o  150.951   4.1390 -4.278580 8.278005 
1 1 1    1    7   30 o   89.247   6.6335 17.40502 13.26701 
1 1 1    1    7   31 o   30.078   9.3657 4.202423 18.73132 
1 1 1    1    7   32 o   79.165   7.0369 13.37411 14.07380 
1 1 1    1    7   33 o   27.502   8.8753 -0.1098671 17.75070 
1 1 1    1    7   34 o  122.846   4.8213 1.110222 9.642578 
1 1 1    1    7   35 o   51.623   10.067 0.5368881 20.13339 
1 1 1    1    7   36 o  129.043   4.4293 8.524063 8.858546 
1 1 1    1    7   37 o   51.117   10.201 9.392403 20.40212 
1 1 1    1    7   38 o   43.779   9.6218 -26.84588 19.24359 
1 1 1    1    7   39 o   28.949   8.7691 3.203791 17.53823 
1 1 1    1    8    0 o  408.889   3.0474 0.000000 0.000000 
1 1 1    1    8    1 o  318.482   1.6943 1.941437 3.388697 
1 1 1    1    8    2 o  476.631   2.5039 1.532043 5.007817 
1 1 1    1    8    3 o  162.870   1.0309 -2.098526 2.061848 
1 1 1    1    8    4 o  589.853   3.1961 2.762939 6.392137 
1 1 1    1    8    5 o  484.382   2.5548 3.357269 5.109539 
1 1 1    1    8    6 o  632.566   3.4254 6.985291 6.850776 
1 1 1    1    8    7 o  720.421   3.9038 -0.2648926 7.807516 
1 1 1    1    8    8 o  549.160   2.9916 -0.7241821 5.983269 
1 1 1    1    8    9 o  154.572   1.2685 -4.075851 2.536971 
1 1 1    1    8   10 o  397.287   2.1576 1.608276 4.315268 
1 1 1    1    8   11 o  169.729   1.3968 1.364502 2.793615 
1 1 1    1    8   12 o  408.211   2.2255 -0.1113892E-01 4.451099 
1 1 1    1    8   13 o  111.559   1.8910 -4.949478 3.781975 
1 1 1    1    8   14 o  514.962   2.7580 -3.496643 5.515955 
1 1 1    1    8   15 o  328.936   1.9333 -0.2031250 3.866655 
1 1 1    1    8   16 o  622.178   3.3085 4.132813 6.616921 
1 1 1    1    8   17 o  580.164   3.1094 5.186035 6.218824 
1 1 1    1    8   18 o  329.498   2.2596 -0.8778992 4.519140 
1 1 1    1    8   19 o  297.824   2.2225 -3.852905 4.445016 
1 1 1    1    8   20 o  400.422   2.7812 -6.287231 5.562345 
1 1 1    1    8   21 o  510.619   3.1044 2.393585 6.208891 
1 1 1    1    8   22 o  270.560   3.0028 6.075104 6.005603 
1 1 1    1    8   23 o  458.397   2.7249 -1.603302 5.449799 
1 1 1    1    8   24 o  554.806   3.1320 -4.329712 6.264077 
1 1 1    1    8   25 o  500.762   2.9435 2.204498 5.886940 
1 1 1    1    8   26 o  123.589   5.2362 -1.539772 10.47248 
1 1 1    1    8   27 o  185.223   3.3814 7.994141 6.762794 
1 1 1    1    8   28 o  178.963   3.5463 3.446671 7.092539 
1 1 1    1    8   29 f   36.162   9.9468 20.33880 19.89365 
1 1 1    1    8   30 o  121.481   4.7468 -1.448120 9.493578 
1 1 1    1    8   31 o   90.186   6.1822 19.02840 12.36446 
1 1 1    1    8   32 o   85.148   6.3632 2.055687 12.72631 
1 1 1    1    8   33 o  105.410   5.2147 -7.825623 10.42944 
1 1 1    1    8   34 o   85.411   6.4904 8.755402 12.98074 
1 1 1    1    8   35 o   73.352   7.0966 6.698128 14.19328 
1 1 1    1    8   36 o   37.718   9.7975 -12.62941 19.59498 
1 1 1    1    8   37 o   53.203   9.8612 -16.97652 19.72243 
1 1 1    1    8   38 o   39.430   9.5364 23.05698 19.07273 
1 1 1    1    8   39 o   40.262   9.5405 3.367558 19.08106 
1 1 1    1    9    0 o  1245.77   9.2192 0.000000 0.000000 
1 1 1    1    9    1 o  399.066   2.1070 -0.9239807 4.214090 
1 1 1    1    9    2 o  940.064   4.9174 -4.823425 9.834734 
1 1 1    1    9    3 o  279.251   1.5606 -0.1956482 3.121237 
1 1 1    1    9    4 o  289.101   1.6157 -1.429016 3.231430 
1 1 1    1    9    5 o  326.844   1.8117 0.2102661 3.623459 
1 1 1    1    9    6 o  195.501   1.2176 1.966156 2.435277 
1 1 1    1    9    7 o  487.796   2.6665 2.330292 5.332938 
1 1 1    1    9    8 o  165.889   1.3317 5.076492 2.663486 
1 1 1    1    9    9 o  348.775   1.9745 -3.778992 3.949044 
1 1 1    1    9   10 o  220.456   1.4456 0.8080444 2.891107 
1 1 1    1    9   11 o  438.971   2.3686 3.416229 4.737141 
1 1 1    1    9   12 o  484.992   2.6043 -6.745087 5.208638 
1 1 1    1    9   13 o  427.526   2.3346 1.952759 4.669177 
1 1 1    1    9   14 o  383.757   2.1474 5.493622 4.294700 
1 1 1    1    9   15 o  546.895   2.9288 1.675781 5.857501 
1 1 1    1    9   16 o   42.409   6.1357 -4.947063 12.27149 
1 1 1    1    9   17 o   72.199   4.0812 12.04277 8.162487 
1 1 1    1    9   18 o  286.704   2.5969 -1.876099 5.193819 
1 1 1    1    9   19 o  393.720   2.3172 10.81012 4.634339 
1 1 1    1    9   20 o  401.144   2.5866 5.421997 5.173178 
1 1 1    1    9   21 o  387.261   2.6554 -5.529449 5.310848 
1 1 1    1    9   22 o  390.389   2.4837 5.133118 4.967470 
1 1 1    1    9   23 o  168.379   4.1475 -1.427521 8.294910 
1 1 1    1    9   24 o  133.890   4.4945 -6.775864 8.988952 
1 1 1    1    9   25 o  213.672   3.5073 0.2072906 7.014603 
1 1 1    1    9   26 o  304.071   2.6297 0.1470642 5.259406 
1 1 1    1    9   27 o  152.327   4.0140 -2.049438 8.027905 
1 1 1    1    9   28 o  220.345   3.0029 -6.799088 6.005861 
1 1 1    1    9   29 o   88.335   6.6194 1.926468 13.23873 
1 1 1    1    9   30 o   72.074   7.9420 -14.91129 15.88404 
1 1 1    1    9   31 o   36.989   10.046 -8.992256 20.09109 
1 1 1    1    9   32 o  169.379   3.4138 2.896072 6.827522 
1 1 1    1    9   33 o  125.710   5.3706 -9.194221 10.74115 
1 1 1    1    9   34 o   71.191   8.0073 19.85271 16.01466 
1 1 1    1    9   35 o   77.664   7.4384 -24.21475 14.87680 
1 1 1    1    9   36 o   28.265   8.8578 -10.42307 17.71556 
1 1 1    1    9   37 o  103.477   5.5641 3.290535 11.12812 
1 1 1    1    9   38 o   26.689   8.5714 -8.271999 17.14284 
1 1 1    1    9   39 x  ?   ?       ?      ? 
1 1 1    1   10    0 o  223.142   1.7889 0.000000 0.000000 
1 1 1    1   10    1 o  468.110   2.4641 -0.8523560E-01 4.928219 
1 1 1    1   10    2 f  151.970   1.0260 0.9355164 2.052011 
1 1 1    1   10    3 o  257.871   1.4176 1.300903 2.835117 
1 1 1    1   10    4 f  636.260   3.4457 -2.067749 6.891332 
1 1 1    1   10    5 o  200.761   1.2731 -2.276093 2.546268 
1 1 1    1   10    6 o  810.005   4.3781 -9.461304 8.756288 
1 1 1    1   10    7 o  298.056   1.7181 -1.632690 3.436226 
1 1 1    1   10    8 o  314.829   1.8053 1.620331 3.610544 
1 1 1    1   10    9 o  219.159   1.5211 -0.1976318 3.042255 
1 1 1    1   10   10 o   86.509   1.6913 -1.447021 3.382629 
1 1 1    1   10   11 o  521.456   2.7818 -1.214294 5.563670 
1 1 1    1   10   12 o  130.506   1.5626 1.009781 3.125256 
1 1 1    1   10   13 o  435.943   2.3770 -4.125610 4.754098 
1 1 1    1   10   14 o  541.195   2.8962 1.674255 5.792314 
1 1 1    1   10   15 o  240.480   1.6911 -1.025467 3.382153 
1 1 1    1   10   16 o  232.126   2.0094 -0.7048035 4.018878 
1 1 1    1   10   17 o  315.035   2.1843 -3.060760 4.368591 
1 1 1    1   10   18 o   69.042   5.3083 1.630646 10.61664 
1 1 1    1   10   19 o  549.746   3.2532 2.908447 6.506329 
1 1 1    1   10   20 o  190.764   2.7062 -3.311447 5.412442 
1 1 1    1   10   21 o  208.397   3.4803 -73.25020 6.960558 
1 1 1    1   10   22 o  265.201   2.6471 2.740631 5.294166 
1 1 1    1   10   23 o  179.841   3.1400 -1.558426 6.279939 
1 1 1    1   10   24 o  102.790   5.2555 -5.031555 10.51099 
1 1 1    1   10   25 o  181.474   3.6757 10.07184 7.351416 
1 1 1    1   10   26 o  129.977   4.5488 -5.751541 9.097629 
1 1 1    1   10   27 o  103.119   5.7176 13.42861 11.43521 
1 1 1    1   10   28 o  119.119   4.9687 4.926796 9.937399 
1 1 1    1   10   29 o   32.976   9.8914 4.530468 19.78288 
1 1 1    1   10   30 o  222.761   2.8252 -7.477783 5.650458 
1 1 1    1   10   31 o   46.288   10.341 -3.105888 20.68176 
1 1 1    1   10   32 o   66.055   8.3251 9.178776 16.65011 
1 1 1    1   10   33 o   21.049   7.2779 6.083672 14.55581 
1 1 1    1   10   34 o   45.160   9.9535 -13.96270 19.90706 
1 1 1    1   10   35 o   95.726   5.6607 -7.204895 11.32145 
1 1 1    1   10   36 o   54.516   9.5196 14.86574 19.03915 
1 1 1    1   10   37 o   38.331   10.106 12.68830 20.21244 
1 1 1    1   10   38 o   34.007   8.6951 -21.55506 17.39021 
1 1 1    1   11    0 o  398.364   2.9889 0.000000 0.000000 
1 1 1    1   11    1 o  805.235   4.2159 3.595520 8.431837 
1 1 1    1   11    2 o  210.377   1.2323 0.5379944 2.464646 
1 1 1    1   11    3 o  394.244   2.0935 2.632172 4.186941 
1 1 1    1   11    4 o  195.822   1.2306 0.2296753 2.461160 
1 1 1    1   11    5 o  121.810   1.0895 0.8643036 2.178950 
1 1 1    1   11    6 o  691.367   3.7457 -1.781372 7.491440 
1 1 1    1   11    7 o  171.353   1.2536 3.872467 2.507202 
1 1 1    1   11    8 o  109.674   1.3347 -5.187424 2.669371 
1 1 1    1   11    9 o  369.001   2.0914 -3.759399 4.182852 
1 1 1    1   11   10 o  245.398   1.5590 -2.612167 3.117985 
1 1 1    1   11   11 o  325.350   1.9960 5.175232 3.992062 
1 1 1    1   11   12 o  172.065   1.5523 3.265457 3.104551 
1 1 1    1   11   13 o  285.940   2.0111 -7.575500 4.022248 
1 1 1    1   11   14 o  180.990   1.8684 0.8834839E-02 3.736810 
1 1 1    1   11   15 o  379.887   2.1624 1.928986 4.324726 
1 1 1    1   11   16 o  490.962   2.6851 2.545685 5.370229 
1 1 1    1   11   17 o  139.251   2.6858 5.189804 5.371635 
1 1 1    1   11   18 o  248.110   2.1642 -2.753052 4.328393 
1 1 1    1   11   19 o  308.212   2.0878 -3.701050 4.175607 
1 1 1    1   11   20 o  291.602   3.0002 -16.03687 6.000345 
1 1 1    1   11   21 o  312.622   2.3353 -3.653442 4.670615 
1 1 1    1   11   22 o  242.414   2.5951 0.1272430 5.190262 
1 1 1    1   11   23 o  227.201   2.9307 -0.5175781 5.861390 
1 1 1    1   11   24 o  171.467   5.9989      ?      ? 
1 1 1    1   11   25 o  208.533   2.9541 3.653275 5.908289 
1 1 1    1   11   26 o  277.878   2.6336 -7.856079 5.267272 
1 1 1    1   11   27 o  258.693   2.7600 1.351471 5.519929 
1 1 1    1   11   28 o  204.873   3.0989 0.4804993 6.197837 
1 1 1    1   11   29 o  163.741   3.5510 3.353256 7.101940 
1 1 1    1   11   30 o  125.576   4.3227 -4.646187 8.645410 
1 1 1    1   11   31 o  155.029   3.5847 8.815720 7.169389 
1 1 1    1   11   32 o   21.275   7.3868 -4.152613 14.77357 
1 1 1    1   11   33 o   93.636   5.8885 -0.3880234 11.77701 
1 1 1    1   11   34 o  100.276   5.3726 -1.488510 10.74511 
1 1 1    1   11   35 o   88.941   6.3017 10.70039 12.60334 
1 1 1    1   11   36 o   60.406   9.3181 2.592438 18.63621 
1 1 1    1   11   37 o   82.182   6.4965 8.618179 12.99300 
1 1 1    1   11   38 o   57.171   8.5689 -1.362217 17.13775 
1 1 1    1   12    0 o  229.287   1.8717 0.000000 0.000000 
1 1 1    1   12    1 o  239.393   1.3629 3.858597 2.725766 
1 1 1    1   12    2 o   92.492   1.2638 -6.450615 2.527504 
1 1 1    1   12    3 o   41.393   2.4642 -1.415127 4.928484 
1 1 1    1   12    4 o  251.658   1.4619 -3.955536 2.923819 
1 1 1    1   12    5 o  732.355   3.9670 -2.539917 7.933904 
1 1 1    1   12    6 o  408.466   2.2489 0.8511658 4.497771 
1 1 1    1   12    7 o  190.271   1.2648 2.355255 2.529512 
1 1 1    1   12    8 o  300.935   1.7003 -0.4380188 3.400560 
1 1 1    1   12    9 o  243.723   1.5541 2.853470 3.108162 
1 1 1    1   12   10 o  366.737   2.0927 -0.1366272 4.185375 
1 1 1    1   12   11 o  261.784   1.6583 1.355255 3.316614 
1 1 1    1   12   12 o  346.028   2.4272 -0.8398132 4.854323 
1 1 1    1   12   13 o  223.114   1.5808 5.131302 3.161688 
1 1 1    1   12   14 o  129.594   1.8868 -0.7210083 3.773575 
1 1 1    1   12   15 o  202.875   2.0115 0.2159424 4.022912 
1 1 1    1   12   16 o  215.337   1.8211 -2.654724 3.642229 
1 1 1    1   12   17 o  453.653   2.5460 -2.674103 5.092023 
1 1 1    1   12   18 o  303.330   2.4399 -1.574097 4.879734 
1 1 1    1   12   19 o  218.470   2.1801 2.443283 4.360270 
1 1 1    1   12   20 o  497.530   4.0861 -25.60907 8.172178 
1 1 1    1   12   21 o  583.029   3.5024 -3.462402 7.004745 
1 1 1    1   12   22 o  101.373   5.0110 -0.5770187 10.02205 
1 1 1    1   12   23 o  158.644   3.5138 6.817642 7.027658 
1 1 1    1   12   24 o  210.775   2.9558 8.237183 5.911591 
1 1 1    1   12   25 o   95.788   5.7550 -0.4160385 11.51005 
1 1 1    1   12   26 o  193.159   3.1402 -1.584854 6.280492 
1 1 1    1   12   27 o   32.505   9.6889 -10.79389 19.37771 
1 1 1    1   12   28 o  109.927   5.1687 -9.686218 10.33731 
1 1 1    1   12   29 o   38.168   9.9412 13.04885 19.88247 
1 1 1    1   12   30 o  119.884   4.4413 8.271118 8.882678 
1 1 1    1   12   31 o   79.584   6.6764 24.48377 13.35281 
1 1 1    1   12   32 o  157.868   4.1918 -7.942856 8.383571 
1 1 1    1   12   33 o  127.008   4.2775 2.177338 8.555064 
1 1 1    1   12   34 o   36.989   9.7197 -14.82750 19.43947 
1 1 1    1   12   35 o   58.340   8.9641 -18.39048 17.92811 
1 1 1    1   12   36 o   35.291   9.9430 -4.960934 19.88607 
1 1 1    1   12   37 o   94.774   5.4015 -11.42817 10.80298 
1 1 1    1   12   38 o   63.619   7.6911 67.08681 15.38213 
1 1 1    1   13    0 o  172.667   1.6370 0.000000 0.000000 
1 1 1    1   13    1 o  254.685   1.4358 -0.3729095 2.871623 
1 1 1    1   13    2 o  358.567   1.9210 0.4751587E-01 3.841910 
1 1 1    1   13    3 o  179.487   1.1697 1.804184 2.339470 
1 1 1    1   13    4 o   73.812   1.5273 -4.976349 3.054620 
1 1 1    1   13    5 o  340.482   1.9067 2.764526 3.813350 
1 1 1    1   13    6 o  174.227   1.2243 -2.994949 2.448645 
1 1 1    1   13    7 o  433.420   2.3844 -0.2751160 4.768730 
1 1 1    1   13    8 o  329.713   1.8397 -0.6960754 3.679374 
1 1 1    1   13    9 o  165.130   1.3742 0.4386749 2.748334 
1 1 1    1   13   10 o  125.706   1.8544 3.290100 3.708863 
1 1 1    1   13   11 o  252.412   1.6402 1.888428 3.280482 
1 1 1    1   13   12 o  351.558   2.2691 10.74319 4.538105 
1 1 1    1   13   13 o  380.138   2.2003 2.735870 4.400561 
1 1 1    1   13   14 o  326.338   1.9898 5.640869 3.979698 
1 1 1    1   13   15 o  957.164   5.0341 7.476318 10.06817 
1 1 1    1   13   16 o  340.330   2.3151 1.532715 4.630255 
1 1 1    1   13   17 o  279.043   1.9693 4.431702 3.938643 
1 1 1    1   13   18 o  172.012   2.5418 1.485535 5.083650 
1 1 1    1   13   19 o  207.262   2.8234 -5.717316 5.646845 
1 1 1    1   13   20 o  549.220   3.0664 11.36420 6.132761 
1 1 1    1   13   21 o  272.661   4.1241      ?      ? 
1 1 1    1   13   22 o   76.778   6.3582 -13.49808 12.71646 
1 1 1    1   13   23 o  577.354   3.4777 3.167847 6.955394 
1 1 1    1   13   24 o  140.869   3.9537 3.791275 7.907400 
1 1 1    1   13   25 f  113.096   5.0099 25.12344 10.01988 
1 1 1    1   13   26 o  192.567   3.0969 -6.043594 6.193779 
1 1 1    1   13   27 o  161.392   3.5977 10.35834 7.195435 
1 1 1    1   13   28 o   56.512   9.5633 -15.08517 19.12658 
1 1 1    1   13   29 o   41.161   9.4928 -23.37488 18.98563 
1 1 1    1   13   30 o   94.653   5.4495 7.373955 10.89910 
1 1 1    1   13   31 f   28.451   8.8426 -7.659872 17.68510 
1 1 1    1   13   32 o   33.118   9.0426 23.18036 18.08512 
1 1 1    1   13   33 o  129.811   4.1802 -6.491554 8.360394 
1 1 1    1   13   34 o   43.647   11.522 -2.993599 23.04467 
1 1 1    1   13   35 o  118.928   4.6573 -7.268257 9.314605 
1 1 1    1   13   36 o   32.713   9.6906 6.952229 19.38127 
1 1 1    1   13   37 o   31.321   9.1141 -8.739872 18.22813 
1 1 1    1   14    0 o  496.685   3.7098 0.000000 0.000000 
1 1 1    1   14    1 o  160.454   1.1778 -4.199585 2.355655 
1 1 1    1   14    2 o  142.124   1.1681 -2.358307 2.336295 
1 1 1    1   14    3 o  154.798   1.1558 -1.798386 2.311628 
1 1 1    1   14    4 o  279.767   1.5597 1.455933 3.119335 
1 1 1    1   14    5 o  382.663   2.1217 -1.427124 4.243485 
1 1 1    1   14    6 o  370.194   2.0667 1.575989 4.133343 
1 1 1    1   14    7 o  325.991   1.8543 1.904022 3.708670 
1 1 1    1   14    8 o  193.436   2.3325      ?      ? 
1 1 1    1   14    9 o  254.832   1.6730 -3.303329 3.346048 
1 1 1    1   14   10 o  261.146   1.5947 2.716461 3.189358 
1 1 1    1   14   11 o  387.276   2.3007 -2.922241 4.601498 
1 1 1    1   14   12 o  136.495   1.6609 -2.525497 3.321743 
1 1 1    1   14   13 o   59.049   3.4901 2.167850 6.980210 
1 1 1    1   14   14 o  263.571   2.1879 0.9473267 4.375831 
1 1 1    1   14   15 o  382.130   2.2924 0.1107788E-01 4.584889 
1 1 1    1   14   16 o  717.839   4.1118 9.821350 8.223546 
1 1 1    1   14   17 o  562.658   3.3231 -3.243530 6.646173 
1 1 1    1   14   18 o  207.843   2.4909 -6.341049 4.981891 
1 1 1    1   14   19 o  228.545   2.3274 0.7226257 4.654836 
1 1 1    1   14   20 o   28.753   8.7549 -1.570488 17.50970 
1 1 1    1   14   21 o  203.271   2.6311 -6.883865 5.262103 
1 1 1    1   14   22 o  437.417   2.7083 -1.918427 5.416670 
1 1 1    1   14   23 f  106.415   5.1436 9.748817 10.28729 
1 1 1    1   14   24 o  227.495   2.7596 -13.54047 5.519170 
1 1 1    1   14   25 o  178.173   3.2878 -0.6362610 6.575622 
1 1 1    1   14   26 o  117.206   4.7357 10.21686 9.471489 
1 1 1    1   14   27 o  144.410   3.9231 7.188950 7.846137 
1 1 1    1   14   28 o   35.730   9.8381 6.002003 19.67629 
1 1 1    1   14   29 o   43.402   10.029 -9.895046 20.05880 
1 1 1    1   14   30 f   72.690   7.3081 -20.94937 14.61626 
1 1 1    1   14   31 o  130.401   7.0998 -71.12619 14.19965 
1 1 1    1   14   32 o   72.433   7.1051 -8.730927 14.21024 
1 1 1    1   14   33 o   73.393   7.8192 -20.22363 15.63848 
1 1 1    1   14   34 o   63.842   8.8031 11.72896 17.60615 
1 1 1    1   14   35 o  105.858   5.0238 1.473564 10.04761 
1 1 1    1   14   36 o   59.551   8.7091 24.76458 17.41817 
1 1 1    1   14   37 o   70.334   6.4914 15.61967 12.98278 
1 1 1    1   15    0 o  547.547   4.0834 0.000000 0.000000 
1 1 1    1   15    1 o  293.852   1.6275 3.429749 3.254924 
1 1 1    1   15    2 o  260.932   1.4889 -1.649658 2.977759 
1 1 1    1   15    3 o  270.196   1.5284 -0.6910400 3.056797 
1 1 1    1   15    4 o  438.328   2.3317 0.6167908 4.663358 
1 1 1    1   15    5 o  470.930   2.5810 -3.103699 5.162100 
1 1 1    1   15    6 o   91.279   1.5609 4.103752 3.121768 
1 1 1    1   15    7 o  413.397   2.2912 0.4425964 4.582478 
1 1 1    1   15    8 o  478.425   3.0008 -0.3322754 6.001554 
1 1 1    1   15    9 f  175.142   1.3810 -4.036240 2.761988 
1 1 1    1   15   10 o  517.992   2.9769 7.649414 5.953809 
1 1 1    1   15   11 o  384.370   2.1483 3.094269 4.296596 
1 1 1    1   15   12 o  121.197   2.0545 -2.373642 4.109055 
1 1 1    1   15   13 o  660.542   3.6298 -5.551575 7.259665 
1 1 1    1   15   14 o  1027.51   5.5784 -1.427612 11.15671 
1 1 1    1   15   15 o  340.198   2.4706 -2.806610 4.941101 
1 1 1    1   15   16 o   84.169   3.5545 -2.302711 7.108981 
1 1 1    1   15   17 o  135.195   2.6271 3.530090 5.254184 
1 1 1    1   15   18 o  316.459   2.4752 -12.05075 4.950372 
1 1 1    1   15   19 o   98.913   9.9283 -48.61146 19.85656 
1 1 1    1   15   20 o  400.906   2.5533 2.242065 5.106689 
1 1 1    1   15   21 o  313.721   2.4270 2.016815 4.853932 
1 1 1    1   15   22 o  210.065   3.2871 2.887146 6.574130 
1 1 1    1   15   23 o  309.325   2.4670 -2.624207 4.934019 
1 1 1    1   15   24 o   50.453   9.3452 24.88797 18.69039 
1 1 1    1   15   25 o  126.653   4.1166 -1.101929 8.233293 
1 1 1    1   15   26 o   51.425   9.9087 10.90656 19.81744 
1 1 1    1   15   27 o  243.953   2.6318 7.488495 5.263564 
1 1 1    1   15   28 o   89.323   5.7114 0.9951172 11.42290 
1 1 1    1   15   29 o   50.062   9.6340 -9.922276 19.26797 
1 1 1    1   15   30 o  142.906   3.6028 -5.432663 7.205587 
1 1 1    1   15   31 o   33.912   9.6549 -0.9993629 19.30985 
1 1 1    1   15   32 o  117.440   4.5429 12.11317 9.085785 
1 1 1    1   15   33 o   52.432   9.9421 -5.968418 19.88417 
1 1 1    1   15   34 o   40.595   10.206 -7.748764 20.41233 
1 1 1    1   15   35 o   28.367   8.9170 -8.835733 17.83396 
1 1 1    1   15   36 o   56.581   9.0950 5.383617 18.18996 
1 1 1    1   15   37 x  ?   ?       ?      ? 
1 1 1    1   16    0 o  311.803   2.4371 0.000000 0.000000 
1 1 1    1   16    1 o  322.523   1.7712 0.2220459 3.542309 
1 1 1    1   16    2 o  193.990   1.3018 1.245880 2.603602 
1 1 1    1   16    3 o  184.770   1.2899 -3.192856 2.579731 
1 1 1    1   16    4 o  504.660   2.6713 -5.663025 5.342510 
1 1 1    1   16    5 o  343.943   1.8799 3.273743 3.759737 
1 1 1    1   16    6 o  155.452   1.3084 4.417297 2.616899 
1 1 1    1   16    7 o  255.132   1.7449 3.928085 3.489753 
1 1 1    1   16    8 o  707.080   4.0203 1.783875 8.040524 
1 1 1    1   16    9 o  388.272   2.1574 -6.797546 4.314702 
1 1 1    1   16   10 o  287.599   2.0272 -5.653259 4.054392 
1 1 1    1   16   11 o  398.100   2.2282 2.022217 4.456422 
1 1 1    1   16   12 o  210.587   1.6697 5.285446 3.339383 
1 1 1    1   16   13 o  205.718   1.8953 -3.640549 3.790534 
1 1 1    1   16   14 o  297.406   1.9812 -3.171539 3.962492 
1 1 1    1   16   15 o  358.023   2.2216 1.845215 4.443181 
1 1 1    1   16   16 o  312.082   2.1404 2.347137 4.280792 
1 1 1    1   16   17 o   28.333   8.1221 -5.912184 16.24417 
1 1 1    1   16   18 o  133.939   3.0680 -6.423111 6.135976 
1 1 1    1   16   19 f  247.581   2.5145 -2.007721 5.028960 
1 1 1    1   16   20 o  109.002   7.1841 -2.238861 14.36819 
1 1 1    1   16   21 o  269.767   2.4452 -4.254089 4.890471 
1 1 1    1   16   22 o  273.341   2.8096 -2.437988 5.619199 
1 1 1    1   16   23 o   71.158   7.0319 -5.506683 14.06381 
1 1 1    1   16   24 f   52.676   9.1711 -25.56625 18.34227 
1 1 1    1   16   25 o  143.408   3.7417 -2.972092 7.483352 
1 1 1    1   16   26 o  198.152   2.8565 0.9782410 5.713013 
1 1 1    1   16   27 o   69.496   7.2711 11.25823 14.54229 
1 1 1    1   16   28 o  125.412   4.0515 -6.813164 8.102993 
1 1 1    1   16   29 o  188.494   2.8803 1.325485 5.760637 
1 1 1    1   16   30 o  230.316   3.7471 -1.616150 7.494116 
1 1 1    1   16   31 o   37.089   9.3235 -19.54086 18.64708 
1 1 1    1   16   32 o   40.545   10.121 3.051548 20.24204 
1 1 1    1   16   33 o   29.228   9.1350 -3.535576 18.27006 
1 1 1    1   16   34 o   44.059   9.9620 16.93985 19.92395 
1 1 1    1   16   35 o  115.055   4.9035 -10.37487 9.807077 
1 1 1    1   16   36 o   23.942   7.8978 -0.5809784E-02 15.79554 
1 1 1    1   17    0 o  223.680   1.9560 0.000000 0.000000 
1 1 1    1   17    1 o  209.745   1.4599 -4.011002 2.919856 
1 1 1    1   17    2 o  160.999   1.3079 -3.525238 2.615885 
1 1 1    1   17    3 o  125.184   1.4288 0.8727112 2.857601 
1 1 1    1   17    4 o  223.445   1.5231 7.054733 3.046253 
1 1 1    1   17    5 o  207.199   1.4708 1.617432 2.941672 
1 1 1    1   17    6 o  199.539   1.4493 -0.2343750E-01 2.898595 
1 1 1    1   17    7 o  197.291   1.6081 0.4695740 3.216277 
1 1 1    1   17    8 o  554.104   3.4978 10.61206 6.995563 
1 1 1    1   17    9 o  262.425   1.6882 0.8666382 3.376425 
1 1 1    1   17   10 o  393.728   2.2163 -2.123047 4.432630 
1 1 1    1   17   11 o  165.330   1.8913 -0.2921600 3.782521 
1 1 1    1   17   12 o  570.775   3.0646 -2.493896 6.129167 
1 1 1    1   17   13 o  373.968   2.1816 -2.040558 4.363140 
1 1 1    1   17   14 o  197.795   1.9217 0.6737518 3.843468 
1 1 1    1   17   15 o  140.873   2.6690 -5.526718 5.337914 
1 1 1    1   17   16 o   63.341   7.3449 -45.92484 14.68971 
1 1 1    1   17   17 o   94.762   3.7975 -0.6446686 7.595080 
1 1 1    1   17   18 o  317.088   2.7806 11.71884 5.561208 
1 1 1    1   17   19 o   53.431   7.7948 2.051300 15.58959 
1 1 1    1   17   20 o  259.381   3.2854 34.22322 6.570771 
1 1 1    1   17   21 o  133.247   3.6885 8.163605 7.377051 
1 1 1    1   17   22 o  162.084   3.8172 2.966629 7.634402 
1 1 1    1   17   23 o   27.156   8.5534 8.817579 17.10680 
1 1 1    1   17   24 o  162.185   3.3143 0.9207153E-01 6.628582 
1 1 1    1   17   25 o  205.922   2.8928 2.636826 5.785538 
1 1 1    1   17   26 o  165.576   3.2332 -9.564651 6.466391 
1 1 1    1   17   27 o   59.916   8.6701 -16.20268 17.34015 
1 1 1    1   17   28 o   23.174   7.7262 8.038702 15.45237 
1 1 1    1   17   29 o  147.957   3.3991 -0.9113617 6.798288 
1 1 1    1   17   30 o   66.539   7.4370 10.05009 14.87398 
1 1 1    1   17   31 o   62.945   8.3916 -0.3958359 16.78312 
1 1 1    1   17   32 o  111.737   4.5796 -5.719849 9.159242 
1 1 1    1   17   33 f   41.501   10.075 -9.472004 20.15006 
1 1 1    1   17   34 o   30.714   9.4196 1.354650 18.83920 
1 1 1    1   17   35 o   54.014   9.7164 -2.322735 19.43272 
1 1 1    1   17   36 o   48.995   7.1566 61.47307 14.31318 
1 1 1    1   18    0 o  370.462   2.8686 0.000000 0.000000 
1 1 1    1   18    1 o  541.054   3.0968 2.574158 6.193534 
1 1 1    1   18    2 o  219.321   1.5900 -0.2145081 3.180034 
1 1 1    1   18    3 f   92.548   2.0513 5.222183 4.102655 
1 1 1    1   18    4 o  160.742   1.4467 -2.604935 2.893379 
1 1 1    1   18    5 o   45.864   4.0298 -1.009651 8.059581 
1 1 1    1   18    6 o  513.312   3.2356 -6.448425 6.471103 
1 1 1    1   18    7 o  227.180   1.6009 0.2252197E-01 3.201887 
1 1 1    1   18    8 o  177.464   1.6137 1.629196 3.227378 
1 1 1    1   18    9 o   62.148   3.9751 -5.181400 7.950196 
1 1 1    1   18   10 o  132.043   2.2386 1.147858 4.477167 
1 1 1    1   18   11 o   75.380   3.0509 6.818512 6.101789 
1 1 1    1   18   12 o   61.280   3.9493 -12.08170 7.898559 
1 1 1    1   18   13 o  187.413   1.8517 -2.923645 3.703423 
1 1 1    1   18   14 o  271.636   2.2834 -2.846466 4.566716 
1 1 1    1   18   15 o  347.872   2.3746 -10.40869 4.749165 
1 1 1    1   18   16 o   21.053   6.8676 -7.942192 13.73530 
1 1 1    1   18   17 o  130.800   3.4978 -11.53173 6.995511 
1 1 1    1   18   18 o  137.019   2.9410 -1.935104 5.881906 
1 1 1    1   18   19 o  209.888   5.4849      ?      ? 
1 1 1    1   18   20 o  244.283   2.7117 1.945129 5.423327 
1 1 1    1   18   21 o  171.406   2.8253 8.735764 5.650637 
1 1 1    1   18   22 o  210.521   3.3271 1.084946 6.654194 
1 1 1    1   18   23 o  126.985   3.9661 -6.593315 7.932126 
1 1 1    1   18   24 o   83.774   5.8810 -5.953117 11.76199 
1 1 1    1   18   25 o  114.311   4.3350 1.475052 8.669902 
1 1 1    1   18   26 o  141.632   3.4638 -3.739716 6.927629 
1 1 1    1   18   27 o   83.233   5.6604 7.447090 11.32082 
1 1 1    1   18   28 o  141.813   3.5236 -4.170975 7.047176 
1 1 1    1   18   29 o   30.409   9.0306 -1.087297 18.06113 
1 1 1    1   18   30 f   25.970   8.3241 5.144312 16.64827 
1 1 1    1   18   31 o   76.037   6.6132 10.04007 13.22642 
1 1 1    1   18   32 o  110.343   4.6137 -5.883972 9.227430 
1 1 1    1   18   33 o   28.122   8.8357 8.007866 17.67133 
1 1 1    1   18   34 o   85.633   6.4790 22.70755 12.95805 
1 1 1    1   18   35 o   33.272   9.2006 -6.277063 18.40115 
1 1 1    1   19    0 o  655.228   5.9945 0.000000 0.000000 
1 1 1    1   19    1 o  134.512   1.7419 -4.430328 3.483828 
1 1 1    1   19    2 o  436.953   2.3609 -1.198883 4.721844 
1 1 1    1   19    3 o  383.017   2.1187 -0.4722290 4.237391 
1 1 1    1   19    4 o  155.676   1.7405 1.398941 3.480921 
1 1 1    1   19    5 o   30.692   6.3602 8.907043 12.72049 
1 1 1    1   19    6 o  181.010   1.6665 -3.911011 3.332969 
1 1 1    1   19    7 o  267.700   1.9239 -2.212219 3.847714 
1 1 1    1   19    8 o  539.872   3.1098 2.390991 6.219534 
1 1 1    1   19    9 o  502.222   2.7390 8.773163 5.478018 
1 1 1    1   19   10 o  203.311   1.7165 0.7978821E-01 3.432995 
1 1 1    1   19   11 o  309.369   1.9631 0.8767700 3.926289 
1 1 1    1   19   12 o  139.809   2.2380 1.570923 4.476067 
1 1 1    1   19   13 o  242.394   2.3048 -1.287292 4.609687 
1 1 1    1   19   14 o  306.660   2.1491 3.345764 4.298123 
1 1 1    1   19   15 o  329.735   2.3083 5.089081 4.616525 
1 1 1    1   19   16 f   35.161   8.7597 11.22279 17.51935 
1 1 1    1   19   17 o   95.451   4.1580 -3.749893 8.316089 
1 1 1    1   19   18 x  ?   ?       ?      ? 
1 1 1    1   19   19 o  171.554   2.6415 2.880661 5.283000 
1 1 1    1   19   20 o  193.758   2.5785 -5.964569 5.156990 
1 1 1    1   19   21 o  201.847   2.5619 -13.18141 5.123703 
1 1 1    1   19   22 o   36.848   9.9765 4.263287 19.95307 
1 1 1    1   19   23 o  155.768   3.2466 11.77969 6.493247 
1 1 1    1   19   24 o   96.914   4.7045 -3.931740 9.409028 
1 1 1    1   19   25 o   48.618   9.1586 -2.611832 18.31726 
1 1 1    1   19   26 o   64.786   7.3009 9.634045 14.60190 
1 1 1    1   19   27 o   76.469   5.9106 4.036591 11.82111 
1 1 1    1   19   28 o  104.505   6.0748 34.11539 12.14952 
1 1 1    1   19   29 o  109.681   4.3156 4.450821 8.631289 
1 1 1    1   19   30 o   19.424   6.7849 1.153612 13.56975 
1 1 1    1   19   31 f  170.022   3.1147 2.379791 6.229475 
1 1 1    1   19   32 o   46.486   9.6882 -12.36324 19.37633 
1 1 1    1   19   33 o   86.471   6.1228 -2.318474 12.24553 
1 1 1    1   19   34 o   57.692   9.2527 6.426891 18.50544 
1 1 1    1   19   35 o   30.240   8.9192 -1.981758 17.83841 
1 1 1    1   20    0 o  250.770   2.3719 0.000000 0.000000 
1 1 1    1   20    1 o  160.503   1.7963 3.492401 3.592684 
1 1 1    1   20    2 o  419.461   2.3044 3.402252 4.608815 
1 1 1    1   20    3 o  303.028   1.9589 -2.165649 3.917795 
1 1 1    1   20    4 o  434.246   2.3790 -3.802216 4.758025 
1 1 1    1   20    5 o  540.619   3.1197 -2.501221 6.239314 
1 1 1    1   20    6 o  223.282   1.8357 -2.746658 3.671401 
1 1 1    1   20    7 o  111.728   2.2842 -0.5565414 4.568467 
1 1 1    1   20    8 o  274.116   1.8312 0.4954224 3.662373 
1 1 1    1   20    9 o  465.008   2.6261 -3.593414 5.252123 
1 1 1    1   20   10 o  659.943   3.5290 -4.983276 7.058060 
1 1 1    1   20   11 o  238.125   3.1889      ?      ? 
1 1 1    1   20   12 f  106.572   3.2539 8.651299 6.507785 
1 1 1    1   20   13 o  237.226   2.0468 1.619736 4.093665 
1 1 1    1   20   14 o  338.381   2.7912 2.799622 5.582312 
1 1 1    1   20   15 o  243.467   2.0779 0.8066406 4.155726 
1 1 1    1   20   16 o  304.079   2.1809 3.628479 4.361743 
1 1 1    1   20   17 o  382.001   2.4164 -6.492340 4.832828 
1 1 1    1   20   18 o   33.017   8.5493 -7.806717 17.09855 
1 1 1    1   20   19 o  289.328   2.2204 -4.069458 4.440786 
1 1 1    1   20   20 o  397.331   2.6550 -0.8776855E-01 5.309913 
1 1 1    1   20   21 o   41.949   9.1572 2.084778 18.31442 
1 1 1    1   20   22 o  301.597   2.9309 -4.861389 5.861824 
1 1 1    1   20   23 o  224.194   2.4473 6.142639 4.894605 
1 1 1    1   20   24 o   68.186   6.2648 -0.4108353 12.52951 
1 1 1    1   20   25 o   41.707   8.8326 13.88652 17.66519 
1 1 1    1   20   26 o   68.905   6.2512 2.370872 12.50233 
1 1 1    1   20   27 o   29.632   8.3105 -23.41889 16.62103 
1 1 1    1   20   28 o   58.365   8.2723 10.17713 16.54458 
1 1 1    1   20   29 o   30.476   8.8980 -7.535929 17.79598 
1 1 1    1   20   30 o  177.640   2.9554 -3.869614 5.910779 
1 1 1    1   20   31 o   24.133   7.9844 -0.9871483E-01 15.96888 
1 1 1    1   20   32 o   33.863   9.6383 1.651882 19.27668 
1 1 1    1   20   33 o   83.268   6.4417 7.071938 12.88346 
1 1 1    1   20   34 o   26.922   8.4778 -3.815075 16.95556 
1 1 1    1   21    0 o  309.310   2.6510 0.000000 0.000000 
1 1 1    1   21    1 o  633.249   3.6252 3.272095 7.250385 
1 1 1    1   21    2 o  452.248   2.8473 7.056152 5.694694 
1 1 1    1   21    3 o  164.366   1.9736 2.203186 3.947264 
1 1 1    1   21    4 o  294.727   1.9802 -2.567780 3.960332 
1 1 1    1   21    5 o  625.191   3.5811 1.307007 7.162117 
1 1 1    1   21    6 o  441.204   2.6109 0.7958374 5.221719 
1 1 1    1   21    7 o  193.497   1.8528 -1.760223 3.705647 
1 1 1    1   21    8 o  307.176   2.1736 13.35022 4.347158 
1 1 1    1   21    9 o  256.815   3.3527      ?      ? 
1 1 1    1   21   10 o  175.595   3.7906 -18.17709 7.581214 
1 1 1    1   21   11 o  117.387   2.7977 3.825386 5.595418 
1 1 1    1   21   12 o  598.873   3.2694 6.476257 6.538778 
1 1 1    1   21   13 o  129.804   5.3067 38.51559 10.61332 
1 1 1    1   21   14 o  146.190   2.4889 4.109131 4.977795 
1 1 1    1   21   15 o  498.499   3.0874 -8.193024 6.174846 
1 1 1    1   21   16 o   24.262   7.7155 2.609734 15.43100 
1 1 1    1   21   17 o  233.529   2.1862 -0.2946320 4.372370 
1 1 1    1   21   18 o  318.541   2.2482 -2.676453 4.496379 
1 1 1    1   21   19 o  184.786   2.5048 4.567810 5.009639 
1 1 1    1   21   20 o   86.869   4.8041 3.445084 9.608131 
1 1 1    1   21   21 o  167.404   2.6757 6.247345 5.351450 
1 1 1    1   21   22 o   47.350   8.8524 4.383400 17.70486 
1 1 1    1   21   23 o   66.024   6.0417 -5.940914 12.08333 
1 1 1    1   21   24 o   94.000   4.5774 9.693878 9.154760 
1 1 1    1   21   25 o   65.358   6.4295 5.940304 12.85903 
1 1 1    1   21   26 o   74.764   5.9112 3.831596 11.82237 
1 1 1    1   21   27 o   19.851   6.8520 -1.995125 13.70407 
1 1 1    1   21   28 o   27.154   8.4000 -4.550659 16.79999 
1 1 1    1   21   29 o   85.525   5.4627 21.69952 10.92531 
1 1 1    1   21   30 o  102.999   4.4940 -3.540878 8.987915 
1 1 1    1   21   31 o   28.295   8.6101 -13.69182 17.22020 
1 1 1    1   21   32 o   62.232   8.8270 0.7771149 17.65410 
1 1 1    1   21   33 o   33.431   9.3984 4.147154 18.79672 
1 1 1    1   22    0 o  157.802   3.6018 0.000000 0.000000 
1 1 1    1   22    1 o  355.631   2.0848 -3.231140 4.169686 
1 1 1    1   22    2 o  789.472   4.1641 -2.365173 8.328110 
1 1 1    1   22    3 o  390.407   2.3918 2.964752 4.783636 
1 1 1    1   22    4 o  253.147   2.1717 -9.497345 4.343436 
1 1 1    1   22    5 o  155.780   2.7528 -28.03841 5.505644 
1 1 1    1   22    6 o  197.459   3.9669      ?      ? 
1 1 1    1   22    7 o  295.822   2.4944 -6.475342 4.988845 
1 1 1    1   22    8 f   27.018   7.4986 -8.969498 14.99728 
1 1 1    1   22    9 o  252.551   1.9659 1.529221 3.931854 
1 1 1    1   22   10 o  245.121   2.0255 4.944107 4.051031 
1 1 1    1   22   11 o  154.536   4.7639 -50.87166 9.527772 
1 1 1    1   22   12 o  196.993   2.0756 -1.922623 4.151179 
1 1 1    1   22   13 o  262.309   2.0854 -2.681915 4.170762 
1 1 1    1   22   14 o  309.763   3.5181 -47.06528 7.036217 
1 1 1    1   22   15 o  236.273   2.1481 1.629318 4.296131 
1 1 1    1   22   16 o  161.896   2.4787 -7.859329 4.957481 
1 1 1    1   22   17 o   90.343   4.1728 2.174110 8.345654 
1 1 1    1   22   18 o  208.472   2.2624 -1.630585 4.524836 
1 1 1    1   22   19 o  212.842   3.3464 3.995621 6.692728 
1 1 1    1   22   20 o  142.294   2.9202 3.144989 5.840411 
1 1 1    1   22   21 o  140.727   2.9674 2.739426 5.934820 
1 1 1    1   22   22 o   79.967   5.0244 0.9009323 10.04873 
1 1 1    1   22   23 o  103.521   3.7581 11.84979 7.516168 
1 1 1    1   22   24 o  103.150   3.9962 -1.423866 7.992438 
1 1 1    1   22   25 o   47.172   7.8710 29.65366 15.74193 
1 1 1    1   22   26 o  115.180   3.8064 2.145081 7.612753 
1 1 1    1   22   27 o   93.466   4.6081 -7.033340 9.216289 
1 1 1    1   22   28 f   50.523   8.3909 11.41788 16.78189 
1 1 1    1   22   29 o   86.991   5.2090 1.134018 10.41800 
1 1 1    1   22   30 o   78.367   5.8213 -9.961990 11.64267 
1 1 1    1   22   31 o   28.666   8.7187 -12.65233 17.43737 
1 1 1    1   22   32 o   45.051   9.7997 0.1322212 19.59942 
1 1 1    1   22   33 o   36.209   9.6912 -4.810833 19.38246 
1 1 1    1   23    0 o   18.380   12.614 0.000000 0.000000 
1 1 1    1   23    1 o  403.376   2.6780 -5.657745 5.356089 
1 1 1    1   23    2 o   38.487   8.6530 -13.94862 17.30596 
1 1 1    1   23    3 x  ?   ?       ?      ? 
1 1 1    1   23    4 o   87.918   3.8237 3.803558 7.647375 
1 1 1    1   23    5 o  481.605   2.6598 -0.3135986 5.319685 
1 1 1    1   23    6 o  362.059   2.1687 2.723145 4.337496 
1 1 1    1   23    7 o  115.340   3.8924 40.12267 7.784765 
1 1 1    1   23    8 o  222.346   4.0077      ?      ? 
1 1 1    1   23    9 o   27.298   8.2105 19.08087 16.42100 
1 1 1    1   23   10 o  168.529   2.2382 -0.8063507 4.476309 
1 1 1    1   23   11 o   18.613   6.3129 3.450012 12.62582 
1 1 1    1   23   12 o  108.191   5.2001      ?      ? 
1 1 1    1   23   13 o   83.919   4.1873 6.399956 8.374664 
1 1 1    1   23   14 o  189.052   2.2412 6.427414 4.482355 
1 1 1    1   23   15 o  154.910   2.8630 8.670776 5.726043 
1 1 1    1   23   16 o  355.332   2.3107 2.225403 4.621305 
1 1 1    1   23   17 o  109.725   3.4213 -11.58563 6.842549 
1 1 1    1   23   18 o  126.791   3.0694 -2.007904 6.138825 
1 1 1    1   23   19 o  180.228   2.6579 4.228745 5.315715 
1 1 1    1   23   20 o  207.046   2.2507 4.121765 4.501328 
1 1 1    1   23   21 o   20.373   6.7966 -3.988220 13.59311 
1 1 1    1   23   22 o   48.334   7.8149 6.785843 15.62986 
1 1 1    1   23   23 o  107.045   3.5487 3.962563 7.097481 
1 1 1    1   23   24 o  145.516   2.8733 -2.583008 5.746576 
1 1 1    1   23   25 o   23.291   7.3878 8.412203 14.77552 
1 1 1    1   23   26 o   50.416   7.9500 1.773964 15.89991 
1 1 1    1   23   27 o  123.502   3.5969 3.096687 7.193702 
1 1 1    1   23   28 o   66.991   6.5154 -9.390327 13.03079 
1 1 1    1   23   29 f   32.936   9.1293 3.955317 18.25865 
1 1 1    1   23   30 o  105.336   4.4981 1.426582 8.996288 
1 1 1    1   23   31 o   41.004   9.8091 -0.2063026 19.61825 
1 1 1    1   23   32 o   30.266   9.2440 -3.377417 18.48804 
1 1 1    1   24    0 o  484.163   4.6668 0.000000 0.000000 
1 1 1    1   24    1 o  366.581   2.8548 -9.671082 5.709691 
1 1 1    1   24    2 o  397.443   2.6872 -26.22412 5.374458 
1 1 1    1   24    3 x  ?   ?       ?      ? 
1 1 1    1   24    4 o  414.984   2.4043 -1.162628 4.808656 
1 1 1    1   24    5 o  406.503   2.3709 0.6117859 4.741701 
1 1 1    1   24    6 o  162.396   2.2991 2.686218 4.598157 
1 1 1    1   24    7 o  169.746   2.2880 3.049652 4.575906 
1 1 1    1   24    8 o  466.619   2.8374 5.619263 5.674734 
1 1 1    1   24    9 o  282.165   2.5527 2.131256 5.105343 
1 1 1    1   24   10 o  259.409   2.8968 65.18291 5.793690 
1 1 1    1   24   11 o  130.757   2.8452 7.694031 5.690322 
1 1 1    1   24   12 o  203.025   2.1454 3.464737 4.290889 
1 1 1    1   24   13 o  231.369   2.1063 0.8298187 4.212562 
1 1 1    1   24   14 o  213.661   2.4089 -3.716980 4.817779 
1 1 1    1   24   15 o  296.265   2.1487 3.073181 4.297445 
1 1 1    1   24   16 o   53.013   6.8965 18.14326 13.79307 
1 1 1    1   24   17 o  127.111   2.9560 -3.121902 5.912057 
1 1 1    1   24   18 o   99.100   4.4251 4.824471 8.850222 
1 1 1    1   24   19 o   70.084   4.9371 -2.996750 9.874146 
1 1 1    1   24   20 o   82.176   4.2838 -2.089256 8.567600 
1 1 1    1   24   21 o   67.391   5.4252 -12.25193 10.85034 
1 1 1    1   24   22 o   21.796   6.9913 -8.518904 13.98253 
1 1 1    1   24   23 o  123.609   3.0759 4.279007 6.151732 
1 1 1    1   24   24 o   31.129   8.1643 14.05350 16.32869 
1 1 1    1   24   25 o   19.434   6.5946 -3.556177 13.18916 
1 1 1    1   24   26 o   33.682   8.1003 -20.09456 16.20053 
1 1 1    1   24   27 o   58.460   7.0659 -12.55486 14.13183 
1 1 1    1   24   28 o  104.437   4.0563 -9.210098 8.112616 
1 1 1    1   24   29 o   40.539   8.9699 14.13068 17.93973 
1 1 1    1   24   30 o   71.934   6.7760 -12.87268 13.55204 
1 1 1    1   24   31 o   32.877   9.3157 -7.945024 18.63146 
1 1 1    1   25    0 o   33.094   12.828 0.000000 0.000000 
1 1 1    1   25    1 o   42.250   8.1266 7.990219 16.25315 
1 1 1    1   25    2 o  230.566   2.0132 -0.5883942 4.026405 
1 1 1    1   25    3 o  245.097   2.0012 2.357376 4.002360 
1 1 1    1   25    4 o   30.998   7.7764 -17.67163 15.55289 
1 1 1    1   25    5 o  149.045   2.8755 10.92978 5.751070 
1 1 1    1   25    6 o  221.206   3.1478      ?      ? 
1 1 1    1   25    7 o  419.379   3.6154      ?      ? 
1 1 1    1   25    8 x  ?   ?       ?      ? 
1 1 1    1   25    9 o  157.981   2.4321 -1.950500 4.864214 
1 1 1    1   25   10 o  145.974   2.6140 -0.6609497 5.227966 
1 1 1    1   25   11 o   48.487   8.2587 -17.85746 16.51734 
1 1 1    1   25   12 o   76.435   5.4539 16.11232 10.90777 
1 1 1    1   25   13 o  106.261   3.4088 0.9208450 6.817690 
1 1 1    1   25   14 o   85.708   4.1066 -9.508667 8.213262 
1 1 1    1   25   15 o   60.426   5.7438 -2.326908 11.48767 
1 1 1    1   25   16 o   67.991   5.1336 2.818550 10.26710 
1 1 1    1   25   17 o  120.205   3.0343 -12.86034 6.068700 
1 1 1    1   25   18 o   78.472   4.8128 6.255554 9.625506 
1 1 1    1   25   19 o   46.705   7.1548 -1.477421 14.30964 
1 1 1    1   25   20 o   51.419   6.7303 13.54470 13.46058 
1 1 1    1   25   21 o   26.584   8.1260 -11.64203 16.25196 
1 1 1    1   25   22 o   34.329   8.0107 -14.76445 16.02142 
1 1 1    1   25   23 o   18.858   6.3970 -3.128433 12.79402 
1 1 1    1   25   24 f   39.712   8.3448 11.18078 16.68963 
1 1 1    1   25   25 o  104.219   3.6400 8.958862 7.280035 
1 1 1    1   25   26 o   45.046   7.7761 31.25895 15.55213 
1 1 1    1   25   27 o  109.360   3.6570 0.2643433 7.314032 
1 1 1    1   25   28 o  115.995   3.6983 1.557808 7.396619 
1 1 1    1   25   29 o  116.971   3.8271 -6.428612 7.654221 
1 1 1    1   25   30 o   22.075   7.3481 -1.257296 14.69628 
1 1 1    1   26    0 o   74.958   9.8567 0.000000 0.000000 
1 1 1    1   26    1 o  119.171   3.2804 -5.402496 6.560771 
1 1 1    1   26    2 o  194.691   2.5260 -3.262131 5.052064 
1 1 1    1   26    3 o  360.778   2.2038 -3.001312 4.407587 
1 1 1    1   26    4 o  302.549   2.0735 0.8922424 4.146996 
1 1 1    1   26    5 o  159.486   2.4240 5.227158 4.848066 
1 1 1    1   26    6 o   55.761   6.5546 12.90989 13.10925 
1 1 1    1   26    7 f  350.183   2.2476 -2.897247 4.495144 
1 1 1    1   26    8 o   96.955   3.6852 4.744972 7.370307 
1 1 1    1   26    9 o  182.300   2.4924 -0.4888306 4.984717 
1 1 1    1   26   10 o  213.502   2.1664 1.451477 4.332877 
1 1 1    1   26   11 o   83.830   4.2213 -0.5205154 8.442555 
1 1 1    1   26   12 o  264.548   2.1624 5.420227 4.324876 
1 1 1    1   26   13 o   50.774   7.3418 0.7990417 14.68350 
1 1 1    1   26   14 o  203.547   2.1314 -2.598969 4.262891 
1 1 1    1   26   15 o  140.981   2.5894 -2.191330 5.178718 
1 1 1    1   26   16 o  135.584   2.6511 0.7743225 5.302186 
1 1 1    1   26   17 o  119.443   2.9140 4.386269 5.827968 
1 1 1    1   26   18 o  137.932   2.6824 1.476776 5.364815 
1 1 1    1   26   19 o  128.087   2.7294 3.659531 5.458848 
1 1 1    1   26   20 o   38.013   6.5930 -32.33051 13.18593 
1 1 1    1   26   21 o   64.620   5.2492 11.22505 10.49832 
1 1 1    1   26   22 o   20.778   6.7652 -6.795038 13.53048 
1 1 1    1   26   23 o   92.410   3.9218 -12.50239 7.843676 
1 1 1    1   26   24 o   26.147   7.7963 -8.567671 15.59252 
1 1 1    1   26   25 o   66.770   5.6301 0.6224823 11.26027 
1 1 1    1   26   26 o   95.841   4.1598 -10.94067 8.319690 
1 1 1    1   26   27 o  101.638   4.0147 3.704681 8.029324 
1 1 1    1   26   28 o   43.054   8.9609 7.108067 17.92180 
1 1 1    1   26   29 o   32.678   8.5118 16.52683 17.02351 
1 1 1    1   27    0 o  155.135   3.6590 0.000000 0.000000 
1 1 1    1   27    1 o   72.014   5.1639 0.5153809 10.32774 
1 1 1    1   27    2 o  232.415   2.0496 0.7774048 4.099291 
1 1 1    1   27    3 o   27.163   7.8917 9.496424 15.78333 
1 1 1    1   27    4 o  111.896   3.8460 10.43750 7.691983 
1 1 1    1   27    5 o  400.419   2.6793 -1.206085 5.358661 
1 1 1    1   27    6 o   79.620   5.1251 26.20809 10.25027 
1 1 1    1   27    7 o   67.799   5.4675 19.43378 10.93490 
1 1 1    1   27    8 o  232.626   2.0957 0.6934509 4.191381 
1 1 1    1   27    9 o  162.583   2.3760 -2.587402 4.752067 
1 1 1    1   27   10 o   95.094   3.8160 0.4793243 7.632047 
1 1 1    1   27   11 o  226.301   2.1606 1.712799 4.321116 
1 1 1    1   27   12 o   62.736   5.6952 3.329468 11.39037 
1 1 1    1   27   13 o   81.774   4.1609 -6.734016 8.321874 
1 1 1    1   27   14 o   18.554   6.2892 0.1070976 12.57849 
1 1 1    1   27   15 o  158.430   3.1299 7.840576 6.259807 
1 1 1    1   27   16 o  140.547   2.5052 2.859909 5.010345 
1 1 1    1   27   17 o   50.322   6.3860 4.483715 12.77193 
1 1 1    1   27   18 o  143.513   2.4290 6.074341 4.857934 
1 1 1    1   27   19 o  124.706   2.7440 1.496437 5.487974 
1 1 1    1   27   20 o  117.039   3.1866 16.98347 6.373202 
1 1 1    1   27   21 o   35.327   8.0941 2.721436 16.18821 
1 1 1    1   27   22 o  101.232   3.4729 -5.704498 6.945765 
1 1 1    1   27   23 f   58.534   6.0064 1.018471 12.01270 
1 1 1    1   27   24 o  119.738   3.2054 -7.682678 6.410725 
1 1 1    1   27   25 o  130.377   3.0932 -0.1646271 6.186338 
1 1 1    1   27   26 o   90.465   4.3810 6.898033 8.761907 
1 1 1    1   27   27 o   40.186   8.9304 -3.196358 17.86077 
1 1 1    1   27   28 o   26.828   8.1275 -9.266415 16.25504 
1 1 1    1   27   29 x  ?   ?       ?      ? 
1 1 1    1   28    0 o   29.238   10.855 0.000000 0.000000 
1 1 1    1   28    1 o  166.443   2.6210 -1.468475 5.242068 
1 1 1    1   28    2 o   78.172   4.7662 -9.628067 9.532455 
1 1 1    1   28    3 o  110.513   3.3310 -3.830551 6.662076 
1 1 1    1   28    4 o  254.812   2.0239 -0.4476166 4.047783 
1 1 1    1   28    5 o  103.274   4.0869 -11.58497 8.173884 
1 1 1    1   28    6 o  119.639   3.3874 -9.842651 6.774860 
1 1 1    1   28    7 o  107.271   3.4970 -4.640594 6.993943 
1 1 1    1   28    8 o   88.087   4.0383 -9.831169 8.076537 
1 1 1    1   28    9 o  163.984   2.3819 3.793777 4.763866 
1 1 1    1   28   10 o   25.687   7.7161 3.444269 15.43221 
1 1 1    1   28   11 o   77.473   4.4588 1.273453 8.917582 
1 1 1    1   28   12 o  108.958   3.1689 -3.638489 6.337873 
1 1 1    1   28   13 o  159.538   2.9884 3.885818 5.976800 
1 1 1    1   28   14 o  112.492   6.2518 -26.04437 12.50359 
1 1 1    1   28   15 o   75.816   5.0311 -7.575958 10.06224 
1 1 1    1   28   16 o   30.036   7.4009 -15.63286 14.80180 
1 1 1    1   28   17 o  103.273   3.1385 6.013832 6.276918 
1 1 1    1   28   18 o   19.477   6.5186 0.3051319 13.03726 
1 1 1    1   28   19 o   66.926   4.9931 11.52300 9.986124 
1 1 1    1   28   20 o   70.840   5.4172 -3.192146 10.83441 
1 1 1    1   28   21 o   58.564   5.9134 -13.07330 11.82673 
1 1 1    1   28   22 o   67.868   5.0342 -10.28281 10.06847 
1 1 1    1   28   23 o   96.591   3.6969 6.728790 7.393820 
1 1 1    1   28   24 o   43.733   8.1256 -9.103046 16.25120 
1 1 1    1   28   25 f   92.954   4.1586 10.18275 8.317160 
1 1 1    1   28   26 o   39.529   8.7914 4.884510 17.58270 
1 1 1    1   28   27 o  102.401   3.9638 2.363281 7.927542 
1 1 1    1   28   28 x  ?   ?       ?      ? 
1 1 1    1   29    0 o  199.245   3.0605 0.000000 0.000000 
1 1 1    1   29    1 o  160.012   2.4789 3.188705 4.957829 
1 1 1    1   29    2 o  100.721   3.6483 -4.371231 7.296541 
1 1 1    1   29    3 o  141.366   2.6540 -0.1957092 5.308059 
1 1 1    1   29    4 o  197.935   2.1651 2.791168 4.330141 
1 1 1    1   29    5 o   84.065   4.2658 -0.5864410 8.531575 
1 1 1    1   29    6 o   23.693   7.3824 1.219267 14.76489 
1 1 1    1   29    7 o   75.148   4.8782 28.13068 9.756313 
1 1 1    1   29    8 o   33.132   8.6465 20.60978 17.29301 
1 1 1    1   29    9 o   52.203   7.4704 29.08219 14.94084 
1 1 1    1   29   10 f   17.608   6.0605 2.255104 12.12105 
1 1 1    1   29   11 o   62.382   5.3525 -5.462345 10.70494 
1 1 1    1   29   12 o   68.820   4.9230 17.97810 9.846058 
1 1 1    1   29   13 o   15.139   7.5371      ?      ? 
1 1 1    1   29   14 o  183.729   3.6778 -18.72252 7.355638 
1 1 1    1   29   15 o   99.273   3.2651 -2.102379 6.530175 
1 1 1    1   29   16 o  142.456   2.5249 -6.293747 5.049805 
1 1 1    1   29   17 o   48.021   7.0686 -26.76771 14.13717 
1 1 1    1   29   18 o   93.888   3.5825 -7.995193 7.165078 
1 1 1    1   29   19 o  119.091   3.6966 -3.059120 7.393254 
1 1 1    1   29   20 o   25.731   7.5045 5.413885 15.00905 
1 1 1    1   29   21 o   62.036   5.7120 11.62505 11.42402 
1 1 1    1   29   22 o   34.022   8.3424 1.730099 16.68482 
1 1 1    1   29   23 o  145.700   2.7037 -10.62637 5.407308 
1 1 1    1   29   24 o   46.404   7.9511 8.651691 15.90222 
1 1 1    1   29   25 o   45.663   7.5057 29.82380 15.01133 
1 1 1    1   29   26 o   27.370   8.2063 2.524500 16.41253 
1 1 1    1   30    0 o   21.307   9.7263 0.000000 0.000000 
1 1 1    1   30    1 f   47.327   7.5223 0.6205750 15.04467 
1 1 1    1   30    2 o   85.906   4.0683 10.95319 8.136509 
1 1 1    1   30    3 o   29.941   7.9749 8.975092 15.94976 
1 1 1    1   30    4 o   69.834   5.3734 -15.38398 10.74673 
1 1 1    1   30    5 o  176.259   2.1673 3.264938 4.334598 
1 1 1    1   30    6 x  ?   ?       ?      ? 
1 1 1    1   30    7 o   30.129   7.4608 19.10921 14.92168 
1 1 1    1   30    8 o   46.222   7.0563 -0.8117218 14.11261 
1 1 1    1   30    9 o   40.206   7.6234 -7.652542 15.24681 
1 1 1    1   30   10 o  189.771   2.0891 -5.423172 4.178146 
1 1 1    1   30   11 o   64.014   5.0340 -1.132114 10.06804 
1 1 1    1   30   12 o  131.113   2.6057 5.196640 5.211456 
1 1 1    1   30   13 o  140.389   2.4336 -0.4570007E-01 4.867142 
1 1 1    1   30   14 o   34.805   7.9496 0.7614059 15.89923 
1 1 1    1   30   15 o  100.826   3.3273 0.8700027 6.654686 
1 1 1    1   30   16 o  102.491   3.3015 -1.469696 6.602999 
1 1 1    1   30   17 o   24.538   7.3681 -5.887114 14.73611 
1 1 1    1   30   18 o  163.458   2.7734 12.88538 5.546875 
1 1 1    1   30   19 o  125.830   2.7528 0.1321411 5.505695 
1 1 1    1   30   20 o   35.286   7.2928 26.22905 14.58561 
1 1 1    1   30   21 o   46.254   7.4223 -8.456810 14.84451 
1 1 1    1   30   22 o   55.506   6.9535 -29.59177 13.90693 
1 1 1    1   30   23 o   46.316   7.9808 14.33407 15.96161 
1 1 1    1   30   24 o   30.741   8.3371 9.752790 16.67420 
1 1 1    1   30   25 o   20.594   6.8846 -0.4582405E-01 13.76919 
1 1 1    1   31    0 o   93.326   5.1274 0.000000 0.000000 
1 1 1    1   31    1 o   17.446   5.9759 -0.2929516 11.95186 
1 1 1    1   31    2 o   38.855   7.7163 12.47666 15.43261 
1 1 1    1   31    3 o  189.023   2.0270 -0.1505585 4.053927 
1 1 1    1   31    4 o   67.745   4.6940 -4.608238 9.387954 
1 1 1    1   31    5 o   64.693   5.0096 -19.53871 10.01912 
1 1 1    1   31    6 o   20.977   6.8516 -6.857641 13.70315 
1 1 1    1   31    7 o   78.199   4.1357 -5.665230 8.271357 
1 1 1    1   31    8 o  171.225   2.1432 2.440491 4.286335 
1 1 1    1   31    9 o   35.912   6.2324 -30.57906 12.46479 
1 1 1    1   31   10 o   25.976   7.1681 -14.58341 14.33618 
1 1 1    1   31   11 o  114.911   2.8863 -1.546112 5.772624 
1 1 1    1   31   12 o   21.439   6.8742 -7.130011 13.74835 
1 1 1    1   31   13 o   52.495   6.3796 9.085140 12.75918 
1 1 1    1   31   14 o   56.505   5.8170 1.483547 11.63404 
1 1 1    1   31   15 o   89.665   3.7316 -4.791809 7.463224 
1 1 1    1   31   16 o   61.980   5.4860 -17.73629 10.97193 
1 1 1    1   31   17 o   52.902   7.4542 -13.82241 14.90840 
1 1 1    1   31   18 o   22.445   6.7875 13.78730 13.57494 
1 1 1    1   31   19 o   25.885   7.1846 16.62094 14.36914 
1 1 1    1   31   20 o   34.993   8.2017 9.850735 16.40350 
1 1 1    1   31   21 o   31.394   8.3220 8.181583 16.64409 
1 1 1    1   31   22 o   65.958   5.8681 -14.11370 11.73612 
1 1 1    1   31   23 o   45.911   8.2387 -3.356121 16.47743 
1 1 1    1   31   24 o   30.700   8.0921 -12.57282 16.18416 
1 1 1    1   32    0 o   80.524   5.7629 0.000000 0.000000 
1 1 1    1   32    1 o   56.699   5.5353 3.244579 11.07066 
1 1 1    1   32    2 o   70.504   4.4394 -3.479637 8.878841 
1 1 1    1   32    3 f   17.728   5.9983 1.387094 11.99654 
1 1 1    1   32    4 f   92.364   3.3693 4.968010 6.738535 
1 1 1    1   32    5 o   84.912   3.6831 8.733070 7.366149 
1 1 1    1   32    6 o  164.689   2.0981 -0.3858490 4.196191 
1 1 1    1   32    7 o   18.568   6.1800 7.662119 12.36000 
1 1 1    1   32    8 x  ?   ?       ?      ? 
1 1 1    1   32    9 o   96.456   3.4852 10.75758 6.970482 
1 1 1    1   32   10 f   42.368   7.5852 -10.36755 15.17047 
1 1 1    1   32   11 o   25.055   7.3665 -9.407454 14.73308 
1 1 1    1   32   12 o  109.780   3.1569 -6.726990 6.313786 
1 1 1    1   32   13 o   21.912   6.9947 -4.773664 13.98948 
1 1 1    1   32   14 o   82.516   4.1199 -3.611320 8.239864 
1 1 1    1   32   15 o   49.474   7.4911 -24.81871 14.98224 
1 1 1    1   32   16 o   47.282   7.0623 -13.64135 14.12454 
1 1 1    1   32   17 o   54.983   6.0358 -3.345661 12.07156 
1 1 1    1   32   18 o   79.813   4.3732 12.39470 8.746327 
1 1 1    1   32   19 f   24.745   7.5178 -5.340887 15.03557 
1 1 1    1   32   20 o   84.962   4.3951 -14.32270 8.790142 
1 1 1    1   32   21 o   58.550   6.6954 -19.58963 13.39083 
1 1 1    1   32   22 o   75.998   4.9797 2.649536 9.959342 
1 1 1    1   32   23 x  ?   ?       ?      ? 
1 1 1    1   33    0 o   12.484   6.4849 0.000000 0.000000 
1 1 1    1   33    1 f   28.730   6.9672 -22.62666 13.93450 
1 1 1    1   33    2 o   43.461   6.5362 -34.68748 13.07242 
1 1 1    1   33    3 o  107.065   3.2309 5.330338 6.461795 
1 1 1    1   33    4 o   89.441   3.7846 -1.892349 7.569281 
1 1 1    1   33    5 o   62.024   5.8495 -0.4742126 11.69892 
1 1 1    1   33    6 o   80.965   4.0133 -14.55272 8.026645 
1 1 1    1   33    7 o   73.642   4.2707 9.943214 8.541478 
1 1 1    1   33    8 o  111.986   2.9701 6.423325 5.940105 
1 1 1    1   33    9 o   63.266   5.0722 -9.460770 10.14442 
1 1 1    1   33   10 o   92.373   3.6475 -2.441986 7.294947 
1 1 1    1   33   11 o  105.704   3.2557 -5.026352 6.511381 
1 1 1    1   33   12 o   25.500   7.5181 4.752150 15.03622 
1 1 1    1   33   13 o   45.253   7.4247 4.042755 14.84943 
1 1 1    1   33   14 o   79.636   4.2145 5.143318 8.428932 
1 1 1    1   33   15 o   30.809   8.0267 0.3952579 16.05330 
1 1 1    1   33   16 o   73.628   4.6167 -2.065994 9.233479 
1 1 1    1   33   17 o   17.672   6.0831 1.008741 12.16622 
1 1 1    1   33   18 o   51.977   7.1590 3.371674 14.31804 
1 1 1    1   33   19 o  101.537   3.6469 7.561142 7.293796 
1 1 1    1   33   20 o   87.321   4.3314 -10.87766 8.662882 
1 1 1    1   33   21 o   34.014   7.8726 23.88252 15.74518 
1 1 1    1   34    0 o  113.682   4.1243 0.000000 0.000000 
1 1 1    1   34    1 o   32.851   7.7118 -11.67852 15.42369 
1 1 1    1   34    2 o   82.864   3.7835 -3.073151 7.567079 
1 1 1    1   34    3 o   89.599   3.5712 -4.126953 7.142392 
1 1 1    1   34    4 o  103.719   3.0958 11.33146 6.191669 
1 1 1    1   34    5 f   25.033   7.2482 -8.862797 14.49640 
1 1 1    1   34    6 o   44.050   7.3591 16.51904 14.71810 
1 1 1    1   34    7 o   85.949   3.8633 -4.131866 7.726624 
1 1 1    1   34    8 o  112.954   3.0019 7.513878 6.003845 
1 1 1    1   34    9 o   37.610   7.8755 -5.929279 15.75102 
1 1 1    1   34   10 o   61.914   5.5033 8.956425 11.00660 
1 1 1    1   34   11 o   27.309   7.7681 -5.688444 15.53630 
1 1 1    1   34   12 o   25.791   7.5500 8.894527 15.09991 
1 1 1    1   34   13 o   55.802   6.1923 0.3404503 12.38467 
1 1 1    1   34   14 o   31.588   8.2213 -6.176805 16.44261 
1 1 1    1   34   15 o   20.879   6.8439 4.459251 13.68776 
1 1 1    1   34   16 o   34.726   8.3514 -5.398987 16.70271 
1 1 1    1   34   17 o   70.982   4.9130 4.145256 9.825952 
1 1 1    1   34   18 o   31.212   8.2011 5.632540 16.40230 
1 1 1    1   34   19 o   18.725   6.3130 -5.607212 12.62598 
1 1 1    1   35    0 o   17.355   8.3762 0.000000 0.000000 
1 1 1    1   35    1 o   80.741   3.9929 3.184959 7.985790 
1 1 1    1   35    2 o   49.990   6.6309 -19.46709 13.26180 
1 1 1    1   35    3 o   21.145   6.7936 0.7722645 13.58714 
1 1 1    1   35    4 o   80.072   3.9550 -13.49614 7.909912 
1 1 1    1   35    5 f   26.215   7.4595 -7.181625 14.91895 
1 1 1    1   35    6 o   26.268   7.6123 7.800604 15.22470 
1 1 1    1   35    7 o  106.694   3.4660 -19.67273 6.932099 
1 1 1    1   35    8 o   52.665   7.8411 7.521915 15.68229 
1 1 1    1   35    9 o   29.666   7.6948 -11.14079 15.38969 
1 1 1    1   35   10 o   18.469   6.2615 -6.185688 12.52309 
1 1 1    1   35   11 o   52.974   6.6655 9.168484 13.33091 
1 1 1    1   35   12 o   27.504   7.8846 8.290636 15.76930 
1 1 1    1   35   13 o   67.301   5.3844 7.894436 10.76874 
1 1 1    1   35   14 o   65.603   5.4709 -15.05526 10.94184 
1 1 1    1   35   15 o   57.489   6.2531 -13.29118 12.50619 
1 1 1    1   35   16 o   21.262   6.8940 -1.597212 13.78806 
1 1 1    1   35   17 o   35.092   7.9739 10.84757 15.94787 
1 1 1    1   36    0 o   79.776   5.9749 0.000000 0.000000 
1 1 1    1   36    1 o   40.718   7.7518 8.223484 15.50368 
1 1 1    1   36    2 o   85.048   3.8577 3.050003 7.715471 
1 1 1    1   36    3 o   27.772   7.7979 1.715454 15.59570 
1 1 1    1   36    4 o   24.866   7.4048 -5.646597 14.80957 
1 1 1    1   36    5 o   22.243   7.0129 3.540970 14.02578 
1 1 1    1   36    6 o   19.565   6.5268 7.232324 13.05356 
1 1 1    1   36    7 o   23.757   7.3989 0.3566456 14.79784 
1 1 1    1   36    8 o   34.320   7.9223 -12.31115 15.84462 
1 1 1    1   36    9 o   27.216   7.8784 6.281027 15.75681 
1 1 1    1   36   10 o   28.554   7.7705 -14.16931 15.54109 
1 1 1    1   36   11 o   93.125   3.9851 5.243530 7.970223 
1 1 1    1   36   12 o   37.648   8.3166 -7.229870 16.63315 
1 1 1    1   36   13 o   22.768   7.2015 2.596563 14.40307 
1 1 1    1   36   14 o   20.894   6.8065 -2.603184 13.61310 
1 1 1    1   36   15 f   24.339   7.4612 4.843260 14.92240 
1 1 1    1   37    0 o   25.094   10.506 0.000000 0.000000 
1 1 1    1   37    1 o   88.243   3.9036 -1.313255 7.807256 
1 1 1    1   37    2 o   24.074   7.4461 -0.6778450 14.89215 
1 1 1    1   37    3 o   30.841   8.1787 1.265446 16.35750 
1 1 1    1   37    4 o   52.294   6.8709 -16.68953 13.74181 
1 1 1    1   37    5 o   24.565   7.2790 11.15352 14.55801 
1 1 1    1   37    6 o   34.607   8.4259 4.777763 16.85184 
1 1 1    1   37    7 o   39.330   8.3335 -6.018970 16.66709 
1 1 1    1   37    8 o   63.104   5.6149 -3.692017 11.22974 
1 1 1    1   37    9 o   48.581   7.6659 -0.9584084 15.33170 
1 1 1    1   37   10 f   32.190   7.9204 -16.52679 15.84087 
1 1 1    1   37   11 o   23.404   7.3447 5.050579 14.68935 
1 1 1    1   37   12 o   43.310   7.2030 -24.63629 14.40600 
1 1 1    1   38    0 o   83.041   5.9735 0.000000 0.000000 
1 1 1    1   38    1 o   40.202   7.3972 24.09796 14.79443 
1 1 1    1   38    2 o   97.120   3.5774 1.004486 7.154739 
1 1 1    1   38    3 o   26.102   7.7009 -6.481375 15.40188 
1 1 1    1   38    4 o   25.675   7.6915 -3.918421 15.38298 
1 1 1    1   38    5 o   54.565   6.6413 -13.22311 13.28268 
1 1 1    1   38    6 o   24.293   7.4253 -5.121183 14.85067 
1 1 1    1   38    7 o   31.410   8.2553 5.401943 16.51069 
1 1 1    1   38    8 o   37.763   8.4074 14.04123 16.81481 
1 1 1    1   38    9 x  ?   ?       ?      ? 
1 1 1    1   39    0 x  ?   ?       ?      ? 
1 1 1    1   39    1 x  ?   ?       ?      ? 
1 1 1    1   39    2 x  ?   ?       ?      ? 
1 1 1    2    0    0 o   59.141   1.0337 0.000000 0.000000 
1 1 1    2    0    1 o  236.329   1.7631 0.000000 0.000000 
1 1 1    2    0    2 o  452.156   4.1190 0.000000 0.000000 
1 1 1    2    0    3 o  198.135   1.5254 0.000000 0.000000 
1 1 1    2    0    4 f  354.032   3.2345 0.000000 0.000000 
1 1 1    2    0    5 o  367.524   2.7580 0.000000 0.000000 
1 1 1    2    0    6 o   51.945   2.8877 0.000000 0.000000 
1 1 1    2    0    7 o   18.444   6.6895 0.000000 0.000000 
1 1 1    2    0    8 o   36.056   5.9048 0.000000 0.000000 
1 1 1    2    0    9 o  311.723   2.4288 0.000000 0.000000 
1 1 1    2    0   10 o  295.217   2.3559 0.000000 0.000000 
1 1 1    2    0   11 o  473.219   3.5661 0.000000 0.000000 
1 1 1    2    0   12 o  435.528   3.3127 0.000000 0.000000 
1 1 1    2    0   13 o  294.556   2.4423 0.000000 0.000000 
1 1 1    2    0   14 o   17.783   7.9485 0.000000 0.000000 
1 1 1    2    0   15 o  152.611   2.4127 0.000000 0.000000 
1 1 1    2    0   16 o   39.153   9.2452 0.000000 0.000000 
1 1 1    2    0   17 o  147.950   2.7772 0.000000 0.000000 
1 1 1    2    0   18 o   19.099   8.6182 0.000000 0.000000 
1 1 1    2    0   19 o  627.588   4.7390 0.000000 0.000000 
1 1 1    2    0   20 o  284.385   2.8231 0.000000 0.000000 
1 1 1    2    0   21 o  235.020   2.9747 0.000000 0.000000 
1 1 1    2    0   22 o  872.664   6.5290 0.000000 0.000000 
1 1 1    2    0   23 o  193.305   3.9523 0.000000 0.000000 
1 1 1    2    0   24 o  160.076   4.8469 0.000000 0.000000 
1 1 1    2    0   25 o   46.151   14.386 0.000000 0.000000 
1 1 1    2    0   26 o  482.833   4.0701 0.000000 0.000000 
1 1 1    2    0   27 o  216.127   4.4130 0.000000 0.000000 
1 1 1    2    0   28 o  455.015   3.9628 0.000000 0.000000 
1 1 1    2    0   29 o  188.186   4.8101 0.000000 0.000000 
1 1 1    2    0   30 o  156.952   5.8221 0.000000 0.000000 
1 1 1    2    0   31 o   23.452   11.378 0.000000 0.000000 
1 1 1    2    0   32 o   42.630   15.132 0.000000 0.000000 
1 1 1    2    0   33 o   41.377   14.696 0.000000 0.000000 
1 1 1    2    0   34 o   32.859   13.224 0.000000 0.000000 
1 1 1    2    0   35 o  126.230   6.3187 0.000000 0.000000 
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1 1 1    2    2    7 o  929.596   4.8609 14.75415 9.721774 
1 1 1    2    2    8 o  1004.90   5.2541 -0.2396240 10.50812 
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1 1 1    2    2   28 o  168.508   3.7874 4.156982 7.574880 
1 1 1    2    2   29 f   51.722   9.2292 37.79260 18.45839 
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1 1 1    2    2   32 o  113.699   4.9631 -9.472641 9.926120 
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1 1 1    2    2   35 o  128.283   4.7485 1.384048 9.496992 
1 1 1    2    2   36 o   96.038   5.7079 2.930717 11.41576 
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1 1 1    2    2   39 o   81.292   6.2869 4.151886 12.57373 
1 1 1    2    2   40 x  ?   ?       ?      ? 
1 1 1    2    3    0 o  428.922   3.1844 0.000000 0.000000 
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1 1 1    2    3    3 o  454.252   2.3856 -2.510559 4.771111 
1 1 1    2    3    4 o  660.696   3.4587 5.970276 6.917460 
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1 1 1    2    3    7 o  866.466   4.5335 -1.392090 9.067039 
1 1 1    2    3    8 o  257.258   1.4803 5.778534 2.960693 
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1 1 1    2    3   24 o  150.304   3.6782 0.2144623 7.356432 
1 1 1    2    3   25 o  198.411   3.1002 0.6688232 6.200338 
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1 1 1    2    3   27 o  279.009   2.7107 2.243011 5.421430 
1 1 1    2    3   28 o  205.597   3.7322 -16.56030 7.464441 
1 1 1    2    3   29 o   43.733   10.934 -12.79562 21.86712 
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1 1 1    2    3   33 o   62.298   8.9884 3.094154 17.97673 
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1 1 1    2    3   35 o  111.471   4.7691 7.436272 9.538287 
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1 1 1    2    3   37 o  100.453   5.5263 8.598053 11.05250 
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1 1 1    2    3   39 o   69.160   8.9246 -13.81580 17.84916 
1 1 1    2    3   40 x  ?   ?       ?      ? 
1 1 1    2    4    0 o  706.569   5.2321 0.000000 0.000000 
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1 1 1    2    4    5 o  478.253   2.5157 -4.980835 5.031331 
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1 1 1    2    4    8 o  1160.27   6.0684 -10.55627 12.13678 
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1 1 1    2    7   16 o  277.829   1.7871 -2.916412 3.574183 
1 1 1    2    7   17 o  375.871   2.3429 3.231903 4.685850 
1 1 1    2    7   18 o  964.687   5.0735 11.46442 10.14703 
1 1 1    2    7   19 o   32.009   8.7313 0.6744003E-01 17.46268 
1 1 1    2    7   20 o  453.152   2.5664 -5.382935 5.132718 
1 1 1    2    7   21 o  237.888   2.4142 4.135696 4.828389 
1 1 1    2    7   22 o  578.960   3.4327 8.069885 6.865404 
1 1 1    2    7   23 o   98.392   5.0851 12.90243 10.17026 
1 1 1    2    7   24 o  310.290   2.4916 0.5155029 4.983122 
1 1 1    2    7   25 o  188.362   3.2183 -1.683136 6.436699 
1 1 1    2    7   26 o  306.596   2.9599 17.87720 5.919733 
1 1 1    2    7   27 o   83.742   7.0936 -12.95153 14.18713 
1 1 1    2    7   28 o  138.257   4.5120 3.636154 9.024094 
1 1 1    2    7   29 o  120.715   5.4681 -21.08170 10.93612 
1 1 1    2    7   30 o   25.393   8.4793 4.243361 16.95861 
1 1 1    2    7   31 o   71.337   7.6585 -7.402145 15.31707 
1 1 1    2    7   32 o   46.977   10.312 12.03107 20.62344 
1 1 1    2    7   33 o   23.024   7.8244 3.562843 15.64879 
1 1 1    2    7   34 o   77.616   7.4602 -22.07395 14.92046 
1 1 1    2    7   35 o   80.809   6.4895 3.472130 12.97906 
1 1 1    2    7   36 f   86.098   6.1280 -14.64497 12.25607 
1 1 1    2    7   37 o   55.766   9.0012 -36.52374 18.00239 
1 1 1    2    7   38 f   65.659   8.7470 9.056622 17.49400 
1 1 1    2    7   39 o   29.955   8.9587 -1.151690 17.91739 
1 1 1    2    8    0 f  195.080   1.5802 0.000000 0.000000 
1 1 1    2    8    1 o  506.963   2.7496 1.031494 5.499249 
1 1 1    2    8    2 o  273.224   1.5225 1.437317 3.045065 
1 1 1    2    8    3 o  210.453   1.3551 1.207733 2.710184 
1 1 1    2    8    4 o  497.762   2.6227 -1.245148 5.245374 
1 1 1    2    8    5 o  1088.33   5.6986 -5.099854 11.39719 
1 1 1    2    8    6 o   53.282   1.6619 -4.481251 3.323843 
1 1 1    2    8    7 o  601.601   3.1623 -7.563965 6.324623 
1 1 1    2    8    8 o  779.010   4.2186 4.408020 8.437208 
1 1 1    2    8    9 o  383.725   2.1347 3.886993 4.269408 
1 1 1    2    8   10 o   92.560   1.6996 1.217590 3.399220 
1 1 1    2    8   11 o  530.676   3.0446 -4.372070 6.089274 
1 1 1    2    8   12 o  217.097   1.5056 -1.463943 3.011140 
1 1 1    2    8   13 o  159.699   1.5459 0.3998718 3.091722 
1 1 1    2    8   14 f   82.153   2.5806 -9.660744 5.161190 
1 1 1    2    8   15 o  268.967   1.7342 0.4161987 3.468348 
1 1 1    2    8   16 o  311.812   1.9094 -1.437347 3.818852 
1 1 1    2    8   17 o   22.998   6.9355 -4.795599 13.87093 
1 1 1    2    8   18 o  449.993   2.5150 -3.360840 5.029923 
1 1 1    2    8   19 o  710.237   3.7825 5.864014 7.565001 
1 1 1    2    8   20 o  265.824   2.0724 -1.055878 4.144834 
1 1 1    2    8   21 o  253.131   2.2022 -4.011398 4.404324 
1 1 1    2    8   22 o  207.302   3.6327 47.41461 7.265428 
1 1 1    2    8   23 o   72.258   7.4789 15.60119 14.95779 
1 1 1    2    8   24 o  278.789   2.8311 9.704315 5.662180 
1 1 1    2    8   25 o  427.824   2.7250 4.651215 5.450065 
1 1 1    2    8   26 o   91.856   6.4537 -5.221581 12.90742 
1 1 1    2    8   27 o  180.199   4.0418 20.84383 8.083677 
1 1 1    2    8   28 o   86.380   6.8960 -2.149277 13.79201 
1 1 1    2    8   29 o   71.211   8.1877 1.862694 16.37541 
1 1 1    2    8   30 o   83.430   8.2721 25.23578 16.54427 
1 1 1    2    8   31 o   34.395   9.7148 10.89750 19.42961 
1 1 1    2    8   32 o   43.928   10.432 8.437695 20.86341 
1 1 1    2    8   33 o  169.728   3.4225 -1.427277 6.845036 
1 1 1    2    8   34 o   59.152   9.3580 8.556767 18.71603 
1 1 1    2    8   35 o   31.976   9.4960 9.862312 18.99196 
1 1 1    2    8   36 o   67.346   8.3715 8.071533 16.74293 
1 1 1    2    8   37 o   32.710   9.7754 -7.838249 19.55080 
1 1 1    2    8   38 o   76.071   7.4109 1.485229 14.82186 
1 1 1    2    8   39 o   30.411   8.7988 4.974432 17.59764 
1 1 1    2    9    0 o  263.801   2.0309 0.000000 0.000000 
1 1 1    2    9    1 f  255.797   1.5170 -0.2753601 3.033952 
1 1 1    2    9    2 o  510.968   2.7705 -4.523773 5.540994 
1 1 1    2    9    3 o  389.690   2.1276 -6.090790 4.255211 
1 1 1    2    9    4 f  958.890   5.0226 -0.3884888 10.04522 
1 1 1    2    9    5 o  419.868   2.2306 -1.403290 4.461112 
1 1 1    2    9    6 o  570.505   3.0044 -0.2445679 6.008849 
1 1 1    2    9    7 o  350.698   2.1695 6.739288 4.339072 
1 1 1    2    9    8 o  180.721   1.4258 -7.357605 2.851573 
1 1 1    2    9    9 o  213.304   1.3843 2.936020 2.768686 
1 1 1    2    9   10 o  348.146   1.9822 0.5760193 3.964418 
1 1 1    2    9   11 o  384.132   2.2623 5.120667 4.524586 
1 1 1    2    9   12 o  222.799   1.5957 -3.318176 3.191398 
1 1 1    2    9   13 o  233.928   1.7517 -5.317810 3.503476 
1 1 1    2    9   14 o   92.959   2.3669 0.2006454 4.733794 
1 1 1    2    9   15 o  130.029   1.9801 -1.743729 3.960131 
1 1 1    2    9   16 o  184.692   1.7935 2.068253 3.586905 
1 1 1    2    9   17 o  413.658   2.3424 -8.873688 4.684735 
1 1 1    2    9   18 o  145.929   2.4193 -3.835724 4.838686 
1 1 1    2    9   19 f  609.536   3.2832 3.583496 6.566365 
1 1 1    2    9   20 o  290.966   2.1269 -0.9353333 4.253717 
1 1 1    2    9   21 x  ?   ?       ?      ? 
1 1 1    2    9   22 o  526.459   3.2325 -2.165527 6.464918 
1 1 1    2    9   23 o  334.587   3.1822 22.12601 6.364428 
1 1 1    2    9   24 o   69.262   8.0180 -14.25839 16.03596 
1 1 1    2    9   25 o  287.617   3.1417 1.023499 6.283358 
1 1 1    2    9   26 o  234.721   2.8681 3.420593 5.736160 
1 1 1    2    9   27 o  155.967   3.9144 6.148392 7.828779 
1 1 1    2    9   28 o  174.258   3.9265 6.301620 7.852942 
1 1 1    2    9   29 o   54.531   10.179 9.299973 20.35745 
1 1 1    2    9   30 o  155.890   3.7515 -3.270004 7.502942 
1 1 1    2    9   31 o   79.324   6.8100 -8.333778 13.62002 
1 1 1    2    9   32 o   33.440   9.4586 -18.13530 18.91716 
1 1 1    2    9   33 o  122.509   5.4067 -7.584862 10.81346 
1 1 1    2    9   34 o   92.371   5.7876 -0.6659546 11.57517 
1 1 1    2    9   35 o  122.461   4.4771 12.44784 8.954154 
1 1 1    2    9   36 o   48.186   9.3575 28.08986 18.71497 
1 1 1    2    9   37 o   62.334   8.7829 27.14499 17.56570 
1 1 1    2    9   38 o   29.188   8.9908 5.965000 17.98158 
1 1 1    2    9   39 x  ?   ?       ?      ? 
1 1 1    2   10    0 o  1152.74   8.5338 0.000000 0.000000 
1 1 1    2   10    1 f  199.800   1.1722 -0.4825439 2.344359 
1 1 1    2   10    2 o  542.967   2.9424 -4.903076 5.884822 
1 1 1    2   10    3 o  347.920   1.9212 3.842255 3.842318 
1 1 1    2   10    4 o  345.174   2.0013 6.450317 4.002558 
1 1 1    2   10    5 o  236.529   1.7964 13.39534 3.592858 
1 1 1    2   10    6 o  422.713   2.2553 -3.884705 4.510599 
1 1 1    2   10    7 o  269.508   1.5318 3.349518 3.063589 
1 1 1    2   10    8 o  179.774   1.2310 -6.472504 2.462031 
1 1 1    2   10    9 o  298.519   1.7445 6.383545 3.488942 
1 1 1    2   10   10 o  125.246   1.3906 -4.426239 2.781263 
1 1 1    2   10   11 o  114.089   1.5399 4.425102 3.079736 
1 1 1    2   10   12 o  226.500   1.5950 2.926575 3.189987 
1 1 1    2   10   13 o  268.925   1.7869 3.055054 3.573706 
1 1 1    2   10   14 o  359.645   2.0512 -3.182343 4.102462 
1 1 1    2   10   15 o  366.640   2.1015 -3.380615 4.203049 
1 1 1    2   10   16 o  217.730   1.7852 2.637482 3.570483 
1 1 1    2   10   17 o  406.478   2.3306 1.355743 4.661240 
1 1 1    2   10   18 o  100.590   3.2278 4.201958 6.455583 
1 1 1    2   10   19 o  363.621   2.2179 -6.592529 4.435853 
1 1 1    2   10   20 o  540.519   3.6937 -1.718079 7.387421 
1 1 1    2   10   21 o  629.857   5.6185      ?      ? 
1 1 1    2   10   22 o  138.941   3.6718 -0.1703339 7.343690 
1 1 1    2   10   23 o  216.361   3.3875 -14.10767 6.775074 
1 1 1    2   10   24 o  152.912   3.9017 -0.3030090 7.803418 
1 1 1    2   10   25 o  255.522   2.9320 1.034332 5.863940 
1 1 1    2   10   26 o  274.102   2.9427 -0.2588501 5.885379 
1 1 1    2   10   27 o   52.679   10.301 -15.22942 20.60199 
1 1 1    2   10   28 o  120.826   4.8788 6.629295 9.757637 
1 1 1    2   10   29 f   35.005   10.062 -6.590433 20.12357 
1 1 1    2   10   30 o  186.557   3.1691 11.69414 6.338199 
1 1 1    2   10   31 o   58.465   9.1591 -13.61021 18.31825 
1 1 1    2   10   32 o  160.954   3.5048 -10.46851 7.009635 
1 1 1    2   10   33 o   31.869   9.5781 -8.369267 19.15622 
1 1 1    2   10   34 o   64.737   8.7023 3.789764 17.40457 
1 1 1    2   10   35 o   76.225   7.2804 -14.78384 14.56085 
1 1 1    2   10   36 o   42.078   10.420 5.853729 20.83978 
1 1 1    2   10   37 o   82.262   6.7925 15.46632 13.58495 
1 1 1    2   10   38 o   37.400   9.5170 -3.072868 19.03390 
1 1 1    2   11    0 o  608.562   4.5189 0.000000 0.000000 
1 1 1    2   11    1 f  352.227   1.8816 -3.087219 3.763154 
1 1 1    2   11    2 o  266.772   1.5209 -2.401031 3.041712 
1 1 1    2   11    3 o  273.040   1.5510 -1.577148 3.102019 
1 1 1    2   11    4 o  605.025   3.2827 -0.6813965 6.565493 
1 1 1    2   11    5 o  662.232   3.7541 -6.580688 7.508114 
1 1 1    2   11    6 o  248.441   1.4417 0.3388367 2.883436 
1 1 1    2   11    7 o  319.806   1.7628 2.608917 3.525541 
1 1 1    2   11    8 o  179.437   1.2515 2.527832 2.502950 
1 1 1    2   11    9 o   99.883   1.4765 -1.249176 2.952915 
1 1 1    2   11   10 o   18.133   5.0666 -1.765018 10.13314 
1 1 1    2   11   11 o  229.375   1.5271 2.479065 3.054196 
1 1 1    2   11   12 o  405.902   2.2898 -2.828339 4.579544 
1 1 1    2   11   13 o  277.607   1.7335 0.9467468 3.466918 
1 1 1    2   11   14 o   29.758   5.7338 -19.04036 11.46764 
1 1 1    2   11   15 o  364.590   2.1110 2.622803 4.221989 
1 1 1    2   11   16 o  424.097   2.3867 -2.014069 4.773485 
1 1 1    2   11   17 o  100.186   3.0731 4.962608 6.146123 
1 1 1    2   11   18 o  230.807   2.2389 4.639847 4.477825 
1 1 1    2   11   19 o  130.291   3.1976 -2.691544 6.395125 
1 1 1    2   11   20 o  235.750   2.5826 -13.66548 5.165139 
1 1 1    2   11   21 o  105.227   4.5276 -12.14365 9.055299 
1 1 1    2   11   22 o  277.876   3.3047 -45.23444 6.609314 
1 1 1    2   11   23 o  109.683   4.7196 5.162308 9.439193 
1 1 1    2   11   24 o  180.322   5.6712      ?      ? 
1 1 1    2   11   25 o   46.833   7.9610 -45.86435 15.92191 
1 1 1    2   11   26 o  172.449   3.4589 0.5603790 6.917829 
1 1 1    2   11   27 o  235.020   2.8540 6.517303 5.708016 
1 1 1    2   11   28 o   44.681   9.6634 29.40158 19.32673 
1 1 1    2   11   29 o  285.620   2.5836 -0.7903748 5.167132 
1 1 1    2   11   30 o   27.167   8.7302 3.232260 17.46049 
1 1 1    2   11   31 o  154.734   3.5366 -4.770721 7.073225 
1 1 1    2   11   32 o   45.845   10.011 -15.75262 20.02294 
1 1 1    2   11   33 o   37.071   9.4985 19.66107 18.99691 
1 1 1    2   11   34 o   29.470   9.0990 -1.053940 18.19795 
1 1 1    2   11   35 o   35.170   9.7134 -13.08810 19.42684 
1 1 1    2   11   36 o   83.775   6.5726 14.28934 13.14524 
1 1 1    2   11   37 o   64.686   8.7682 -21.11339 17.53647 
1 1 1    2   11   38 o   29.629   8.7434 5.458035 17.48678 
1 1 1    2   12    0 o  313.564   2.4007 0.000000 0.000000 
1 1 1    2   12    1 o  405.004   2.1499 0.6149597 4.299812 
1 1 1    2   12    2 o  218.253   1.3662 -5.921631 2.732470 
1 1 1    2   12    3 o  128.990   1.1246 -3.946678 2.249165 
1 1 1    2   12    4 o  171.299   1.1736 -0.6376343 2.347238 
1 1 1    2   12    5 o   47.054   2.1054 3.223572 4.210901 
1 1 1    2   12    6 o  187.807   1.3045 3.071548 2.608963 
1 1 1    2   12    7 f  136.924   1.2255 -1.335037 2.451075 
1 1 1    2   12    8 o   79.504   1.5613 1.421791 3.122625 
1 1 1    2   12    9 o  333.303   1.9194 3.563690 3.838871 
1 1 1    2   12   10 o  378.576   2.1501 2.037109 4.300271 
1 1 1    2   12   11 o   93.411   1.7493 2.736221 3.498629 
1 1 1    2   12   12 o  103.168   1.8053 -0.1982040 3.610571 
1 1 1    2   12   13 o  455.150   2.5443 3.033173 5.088642 
1 1 1    2   12   14 o  563.021   3.0999 2.319763 6.199734 
1 1 1    2   12   15 o  336.991   2.0582 0.9171448 4.116429 
1 1 1    2   12   16 o  555.220   3.4650 2.859314 6.930089 
1 1 1    2   12   17 o  291.581   2.2006 -4.802643 4.401254 
1 1 1    2   12   18 o  267.862   2.0102 1.273132 4.020403 
1 1 1    2   12   19 o  185.688   2.3617 -2.642487 4.723491 
1 1 1    2   12   20 o  149.190   4.1109 18.32115 8.221769 
1 1 1    2   12   21 o  580.208   3.2279 -4.276733 6.455826 
1 1 1    2   12   22 o   67.169   8.1051 12.56903 16.21013 
1 1 1    2   12   23 o  366.193   2.5361 -2.349121 5.072222 
1 1 1    2   12   24 o  235.589   2.7866 5.101852 5.573195 
1 1 1    2   12   25 o  266.188   2.6237 -9.217651 5.247436 
1 1 1    2   12   26 o   91.030   6.1751 1.856377 12.35012 
1 1 1    2   12   27 o  273.954   2.6502 3.633179 5.300320 
1 1 1    2   12   28 o  162.076   3.5685 7.535645 7.137014 
1 1 1    2   12   29 o  160.074   3.5713 2.112671 7.142604 
1 1 1    2   12   30 o  105.817   5.0001 15.94629 10.00017 
1 1 1    2   12   31 o   31.999   9.5261 0.5703316 19.05222 
1 1 1    2   12   32 o   63.693   9.2438 10.47490 18.48769 
1 1 1    2   12   33 o   91.688   5.8626 -7.245102 11.72524 
1 1 1    2   12   34 o   50.390   9.8241 -19.47278 19.64826 
1 1 1    2   12   35 o   70.650   7.6438 1.541328 15.28764 
1 1 1    2   12   36 o   33.214   9.6869 -7.260811 19.37381 
1 1 1    2   12   37 o   54.484   8.8585 23.90537 17.71702 
1 1 1    2   12   38 o   30.445   8.9544 -0.8004436 17.90884 
1 1 1    2   13    0 o   12.544   5.6755 0.000000 0.000000 
1 1 1    2   13    1 o  191.221   1.2066 3.399506 2.413175 
1 1 1    2   13    2 o  264.649   1.4803 -2.779236 2.960531 
1 1 1    2   13    3 o  175.361   1.2441 -5.513657 2.488135 
1 1 1    2   13    4 o  450.670   2.4642 -6.060608 4.928383 
1 1 1    2   13    5 o  425.083   2.3374 3.211853 4.674802 
1 1 1    2   13    6 o  150.373   1.1909 -1.530014 2.381767 
1 1 1    2   13    7 o  203.504   1.3191 -2.981628 2.638252 
1 1 1    2   13    8 o  387.586   2.1031 -6.815857 4.206106 
1 1 1    2   13    9 o  149.689   1.3544 2.713882 2.708727 
1 1 1    2   13   10 o  314.829   1.8630 1.069092 3.726002 
1 1 1    2   13   11 o   13.515   4.4938 -1.135445 8.987606 
1 1 1    2   13   12 o  406.506   2.5882 4.416870 5.176392 
1 1 1    2   13   13 o  278.925   1.7970 -5.170746 3.594047 
1 1 1    2   13   14 o  714.230   4.0764 8.398499 8.152876 
1 1 1    2   13   15 o  489.032   2.8883 2.426514 5.776679 
1 1 1    2   13   16 o  577.970   3.2074 -0.6133423 6.414797 
1 1 1    2   13   17 o  184.465   2.2726 -3.531128 4.545245 
1 1 1    2   13   18 o  424.813   2.4817 2.198944 4.963431 
1 1 1    2   13   19 o  414.656   2.5005 -0.9403381 5.000923 
1 1 1    2   13   20 o  676.652   3.6540 -2.050598 7.307940 
1 1 1    2   13   21 o  142.803   3.9228 10.89923 7.845631 
1 1 1    2   13   22 o  176.389   3.0054 -2.563507 6.010730 
1 1 1    2   13   23 o  278.602   3.0299 25.88419 6.059899 
1 1 1    2   13   24 o  180.167   3.1382 5.996033 6.276381 
1 1 1    2   13   25 o   74.254   9.0410 20.93158 18.08204 
1 1 1    2   13   26 o  243.064   2.7547 -13.26006 5.509386 
1 1 1    2   13   27 o  265.659   2.6696 -4.631195 5.339170 
1 1 1    2   13   28 o  159.919   3.4373 -5.068024 6.874635 
1 1 1    2   13   29 f  144.086   3.7070 -3.899078 7.413998 
1 1 1    2   13   30 o   23.762   7.9811 3.459057 15.96219 
1 1 1    2   13   31 o   76.633   6.9042 10.16880 13.80842 
1 1 1    2   13   32 o   27.958   8.8864 5.061874 17.77287 
1 1 1    2   13   33 o  103.763   5.3460 21.58475 10.69207 
1 1 1    2   13   34 o   39.668   10.285 -3.767967 20.56923 
1 1 1    2   13   35 o   51.248   8.6964 35.63981 17.39289 
1 1 1    2   13   36 o   80.437   6.6196 -9.254868 13.23919 
1 1 1    2   13   37 o   44.571   9.4350 6.908623 18.87005 
1 1 1    2   14    0 o  248.898   2.0148 0.000000 0.000000 
1 1 1    2   14    1 o  446.189   2.3660 -2.477417 4.731965 
1 1 1    2   14    2 o  237.719   1.3808 0.8014221 2.761578 
1 1 1    2   14    3 o  183.094   1.2879 -1.030487 2.575868 
1 1 1    2   14    4 o  197.973   1.3318 -2.131012 2.663611 
1 1 1    2   14    5 o  436.592   2.4014 1.453857 4.802735 
1 1 1    2   14    6 o  332.534   1.9768 1.172119 3.953509 
1 1 1    2   14    7 o  290.707   1.6844 -2.558167 3.368893 
1 1 1    2   14    8 o  464.747   2.5602 6.870209 5.120443 
1 1 1    2   14    9 o  513.766   2.7376 -2.252136 5.475297 
1 1 1    2   14   10 o  351.185   2.0379 1.003540 4.075887 
1 1 1    2   14   11 o  314.675   1.9946 4.390747 3.989159 
1 1 1    2   14   12 o  860.955   4.8930 4.973633 9.785965 
1 1 1    2   14   13 o  247.147   1.8685 0.1829529E-01 3.736961 
1 1 1    2   14   14 o  604.774   3.3435 -11.01208 6.686916 
1 1 1    2   14   15 o  209.412   1.8129 0.7337799 3.625853 
1 1 1    2   14   16 o  147.316   2.1753 4.251740 4.350557 
1 1 1    2   14   17 o  106.375   3.4477 -0.9271317 6.895354 
1 1 1    2   14   18 o  292.716   2.3623 -15.62744 4.724600 
1 1 1    2   14   19 o  274.124   2.3779 -0.5773621 4.755835 
1 1 1    2   14   20 o  589.164   3.2555 -3.772156 6.510947 
1 1 1    2   14   21 o  437.257   2.6472 2.816742 5.294468 
1 1 1    2   14   22 o  268.616   2.9043 -6.111145 5.808545 
1 1 1    2   14   23 o  271.990   2.5584 -0.7377014 5.116744 
1 1 1    2   14   24 o  311.717   2.5200 -7.174072 5.040011 
1 1 1    2   14   25 o  476.978   2.8577 0.2104492 5.715497 
1 1 1    2   14   26 o  108.093   5.0132 -14.69191 10.02638 
1 1 1    2   14   27 o   85.968   6.5373 18.14617 13.07462 
1 1 1    2   14   28 o  109.618   4.7201 6.267235 9.440207 
1 1 1    2   14   29 o  109.448   4.5904 3.288986 9.180756 
1 1 1    2   14   30 o   34.231   9.1987 -19.04747 18.39743 
1 1 1    2   14   31 o  177.088   3.3029 -1.432495 6.605825 
1 1 1    2   14   32 o  107.135   5.0094 -10.22636 10.01875 
1 1 1    2   14   33 o   39.192   9.8592 13.29578 19.71847 
1 1 1    2   14   34 o  134.668   4.1753 4.828720 8.350574 
1 1 1    2   14   35 o   37.718   10.267 0.7402496 20.53382 
1 1 1    2   14   36 o   32.395   9.5700 -6.404354 19.14005 
1 1 1    2   14   37 o   59.550   7.8786 10.65719 15.75726 
1 1 1    2   15    0 o  114.002   1.9361 0.000000 0.000000 
1 1 1    2   15    1 o  337.158   1.8308 2.034271 3.661651 
1 1 1    2   15    2 o   48.679   2.6779 -6.049397 5.355789 
1 1 1    2   15    3 o  256.293   1.5791 -1.394394 3.158142 
1 1 1    2   15    4 o  383.009   2.2298 -5.957092 4.459599 
1 1 1    2   15    5 o  210.238   1.3690 3.030106 2.737945 
1 1 1    2   15    6 o  481.193   2.6358 -2.414032 5.271644 
1 1 1    2   15    7 o   39.840   3.2104 4.773861 6.420735 
1 1 1    2   15    8 o  162.025   1.3835 -2.084305 2.767049 
1 1 1    2   15    9 f  465.254   2.6873 2.548065 5.374626 
1 1 1    2   15   10 o  149.050   1.6675 -0.8070221 3.335095 
1 1 1    2   15   11 o  217.314   1.8340 2.891815 3.668096 
1 1 1    2   15   12 o  186.309   1.6506 1.296356 3.301234 
1 1 1    2   15   13 o  631.981   3.4677 9.738098 6.935465 
1 1 1    2   15   14 o  492.197   2.7767 4.850067 5.553497 
1 1 1    2   15   15 o  408.950   2.4014 6.696320 4.802842 
1 1 1    2   15   16 o  420.868   2.4800 6.354462 4.959962 
1 1 1    2   15   17 o  407.551   2.8442 8.140167 5.688422 
1 1 1    2   15   18 o  460.458   2.7252 3.104736 5.450333 
1 1 1    2   15   19 o  490.284   2.8901 2.665314 5.780190 
1 1 1    2   15   20 o   32.053   8.9350 3.124584 17.87008 
1 1 1    2   15   21 o  239.608   2.6542 9.388763 5.308497 
1 1 1    2   15   22 o  144.506   3.6083 -1.232590 7.216692 
1 1 1    2   15   23 o  238.537   2.6422 1.405548 5.284313 
1 1 1    2   15   24 o  229.741   2.7483 0.6689758 5.496644 
1 1 1    2   15   25 o   84.280   6.4051 4.550293 12.81015 
1 1 1    2   15   26 o  103.462   5.3350 16.29457 10.67003 
1 1 1    2   15   27 o  138.042   3.8354 -5.088562 7.670813 
1 1 1    2   15   28 o  210.006   2.7447 2.879715 5.489415 
1 1 1    2   15   29 f   31.444   9.0213 -13.30001 18.04254 
1 1 1    2   15   30 o  122.669   4.2012 1.920120 8.402420 
1 1 1    2   15   31 o   26.826   8.6304 -4.413496 17.26084 
1 1 1    2   15   32 o  100.157   5.0967 -0.4937668 10.19335 
1 1 1    2   15   33 o   42.286   10.300 -2.730381 20.60098 
1 1 1    2   15   34 o   29.261   9.1723 4.865911 18.34458 
1 1 1    2   15   35 f   61.771   8.8265 -28.75142 17.65296 
1 1 1    2   15   36 o   34.200   9.7027 -0.5915718 19.40538 
1 1 1    2   15   37 x  ?   ?       ?      ? 
1 1 1    2   16    0 o  255.397   2.1001 0.000000 0.000000 
1 1 1    2   16    1 o  565.039   2.9788 -2.205750 5.957563 
1 1 1    2   16    2 o  185.145   1.3888 0.9187317 2.777535 
1 1 1    2   16    3 o  368.949   1.9923 -2.971313 3.984564 
1 1 1    2   16    4 o  275.111   1.6274 -2.078461 3.254737 
1 1 1    2   16    5 o   57.394   2.4131 -7.370480 4.826206 
1 1 1    2   16    6 o  452.387   2.4943 1.668854 4.988638 
1 1 1    2   16    7 o  324.493   1.8718 1.808136 3.743622 
1 1 1    2   16    8 o   77.695   2.4300 -8.689392 4.859976 
1 1 1    2   16    9 o  428.010   2.4936 -8.757599 4.987260 
1 1 1    2   16   10 o  524.429   2.8172 0.4962158E-01 5.634423 
1 1 1    2   16   11 o  555.981   3.0776 6.124573 6.155129 
1 1 1    2   16   12 o  206.944   1.7309 -5.778702 3.461810 
1 1 1    2   16   13 o  331.339   2.3392 10.28708 4.678421 
1 1 1    2   16   14 f  119.735   2.3403 -0.8755722 4.680590 
1 1 1    2   16   15 o  388.376   2.3335 2.336731 4.666909 
1 1 1    2   16   16 o  230.359   2.0693 7.260284 4.138649 
1 1 1    2   16   17 x  ?   ?       ?      ? 
1 1 1    2   16   18 o  247.656   2.2602 -2.877609 4.520347 
1 1 1    2   16   19 o  150.978   3.5001 -17.00322 7.000164 
1 1 1    2   16   20 o  276.465   2.3241 4.137054 4.648208 
1 1 1    2   16   21 o   25.043   8.0774 -11.38447 16.15488 
1 1 1    2   16   22 o  137.574   3.4966 -1.680252 6.993244 
1 1 1    2   16   23 o  224.007   2.7047 3.862427 5.409472 
1 1 1    2   16   24 o  160.488   3.3303 -0.3205719 6.660506 
1 1 1    2   16   25 o  182.655   3.0896 10.77921 6.179260 
1 1 1    2   16   26 o  159.393   3.4293 2.899094 6.858591 
1 1 1    2   16   27 o   75.427   6.6732 -4.021088 13.34632 
1 1 1    2   16   28 o  153.184   3.3747 -2.075333 6.749496 
1 1 1    2   16   29 o   99.121   4.8710 6.448769 9.741991 
1 1 1    2   16   30 o  166.801   3.3328 -3.006500 6.665671 
1 1 1    2   16   31 o  128.105   3.9635 -8.656357 7.927059 
1 1 1    2   16   32 o   37.933   9.9279 -8.366905 19.85572 
1 1 1    2   16   33 o   67.151   7.8601 6.096024 15.72016 
1 1 1    2   16   34 o   63.228   8.6457 -19.08395 17.29148 
1 1 1    2   16   35 o   36.940   10.153 -0.8627739 20.30655 
1 1 1    2   16   36 o   22.815   7.6102 0.7001915 15.22032 
1 1 1    2   17    0 o   85.055   2.7547 0.000000 0.000000 
1 1 1    2   17    1 o  187.867   1.3228 -2.742310 2.645602 
1 1 1    2   17    2 o  345.030   1.8921 3.728485 3.784187 
1 1 1    2   17    3 o  361.395   1.9686 5.235535 3.937289 
1 1 1    2   17    4 o  292.627   1.7262 -1.070221 3.452401 
1 1 1    2   17    5 o  407.186   2.2724 -8.493317 4.544851 
1 1 1    2   17    6 o  304.653   2.0840 5.092957 4.167987 
1 1 1    2   17    7 o  164.338   1.4526 -1.309143 2.905266 
1 1 1    2   17    8 o  252.385   1.6918 -0.9203491 3.383651 
1 1 1    2   17    9 o  243.905   1.6324 1.041656 3.264774 
1 1 1    2   17   10 f  417.061   2.3569 -2.443420 4.713788 
1 1 1    2   17   11 o  198.128   1.7460 -2.497452 3.492069 
1 1 1    2   17   12 o  124.263   2.4309 -3.232216 4.861888 
1 1 1    2   17   13 o   26.012   6.8332 6.966137 13.66649 
1 1 1    2   17   14 o  290.437   2.0020 2.740295 4.003931 
1 1 1    2   17   15 o  245.167   2.1617 -5.469971 4.323398 
1 1 1    2   17   16 o  348.289   2.6598 -4.583618 5.319551 
1 1 1    2   17   17 o  340.301   2.3817 3.996277 4.763339 
1 1 1    2   17   18 o  185.490   2.6708 -16.28656 5.341665 
1 1 1    2   17   19 o  391.502   2.6782 4.296753 5.356424 
1 1 1    2   17   20 o  173.645   3.4575 33.27869 6.915018 
1 1 1    2   17   21 f  205.866   2.5491 4.446320 5.098214 
1 1 1    2   17   22 o  135.440   4.9590 8.464966 9.918002 
1 1 1    2   17   23 o   38.389   9.7347 -8.196697 19.46945 
1 1 1    2   17   24 f  160.453   3.1444 -3.986023 6.288859 
1 1 1    2   17   25 o  248.162   2.7019 1.905411 5.403749 
1 1 1    2   17   26 o   52.423   8.6166 -28.87029 17.23330 
1 1 1    2   17   27 o  185.579   2.8864 -0.3312683 5.772800 
1 1 1    2   17   28 o   74.894   6.3833 -4.827766 12.76654 
1 1 1    2   17   29 f  211.898   2.6731 -3.296417 5.346241 
1 1 1    2   17   30 o   92.175   5.4672 -12.41856 10.93445 
1 1 1    2   17   31 o   21.569   7.3733 4.671730 14.74662 
1 1 1    2   17   32 o  101.901   5.0472 -4.558609 10.09435 
1 1 1    2   17   33 o   30.017   8.6589 20.17096 17.31776 
1 1 1    2   17   34 o   25.186   8.3395 4.930967 16.67907 
1 1 1    2   17   35 o   35.280   9.8720 2.614239 19.74405 
1 1 1    2   17   36 o   19.809   6.8370 -2.849417 13.67397 
1 1 1    2   18    0 o  231.435   2.1031 0.000000 0.000000 
1 1 1    2   18    1 o  226.365   1.6127 -0.7704468 3.225452 
1 1 1    2   18    2 o  315.115   1.9353 -2.710602 3.870617 
1 1 1    2   18    3 f  249.340   1.6537 -8.018890 3.307353 
1 1 1    2   18    4 o  386.199   2.6110 9.235992 5.222053 
1 1 1    2   18    5 o  298.144   1.7867 -5.300140 3.573415 
1 1 1    2   18    6 o  207.028   1.5490 1.018906 3.098033 
1 1 1    2   18    7 o  209.434   1.7219 3.622498 3.443866 
1 1 1    2   18    8 o  160.806   1.5982 -0.4882507 3.196470 
1 1 1    2   18    9 o  158.616   1.6783 2.233337 3.356639 
1 1 1    2   18   10 o   37.780   6.3142 5.437321 12.62850 
1 1 1    2   18   11 o  315.544   1.9523 3.323120 3.904673 
1 1 1    2   18   12 o  230.689   1.9822 0.6300201 3.964333 
1 1 1    2   18   13 o  217.649   1.8334 -2.369064 3.666806 
1 1 1    2   18   14 o  405.163   2.7756 9.455231 5.551287 
1 1 1    2   18   15 o  386.583   2.4356 -3.651733 4.871162 
1 1 1    2   18   16 x  ?   ?       ?      ? 
1 1 1    2   18   17 x  ?   ?       ?      ? 
1 1 1    2   18   18 o  285.653   2.2505 -4.879303 4.500980 
1 1 1    2   18   19 o  329.512   2.7210 4.162506 5.442071 
1 1 1    2   18   20 o   63.795   7.0611 -18.69646 14.12223 
1 1 1    2   18   21 o  118.636   3.9346 17.83530 7.869166 
1 1 1    2   18   22 o  191.810   2.7138 3.076553 5.427617 
1 1 1    2   18   23 o  117.936   5.3014 -9.712425 10.60272 
1 1 1    2   18   24 o   97.306   5.0021 -5.981323 10.00428 
1 1 1    2   18   25 o  149.060   3.2528 1.295807 6.505584 
1 1 1    2   18   26 o  142.064   3.2876 -1.963562 6.575115 
1 1 1    2   18   27 o  106.033   4.4200 13.28510 8.840009 
1 1 1    2   18   28 o   65.879   7.5619 9.073578 15.12387 
1 1 1    2   18   29 o  144.191   3.4668 -2.550568 6.933555 
1 1 1    2   18   30 o   86.697   5.6312 -0.3688278 11.26239 
1 1 1    2   18   31 o  162.134   3.3787 -7.819458 6.757433 
1 1 1    2   18   32 o   24.650   8.1225 -4.393814 16.24499 
1 1 1    2   18   33 o   82.101   6.3903 -14.16655 12.78060 
1 1 1    2   18   34 o   73.494   7.7256 -20.45305 15.45121 
1 1 1    2   18   35 o   61.214   7.5203 -7.009167 15.04058 
1 1 1    2   19    0 o  321.651   2.6039 0.000000 0.000000 
1 1 1    2   19    1 o  109.539   2.0480 -0.1113281 4.096069 
1 1 1    2   19    2 o  268.075   1.8047 0.5336609 3.609495 
1 1 1    2   19    3 o  243.054   1.7296 -4.097214 3.459268 
1 1 1    2   19    4 o  233.477   1.6531 -1.888443 3.306170 
1 1 1    2   19    5 o   72.009   3.1839 -11.03855 6.367790 
1 1 1    2   19    6 o  380.348   2.2898 -6.834656 4.579665 
1 1 1    2   19    7 o  394.431   2.2564 2.723602 4.512818 
1 1 1    2   19    8 o  293.799   1.9729 2.630920 3.945766 
1 1 1    2   19    9 o  121.458   2.0278 0.5887680 4.055693 
1 1 1    2   19   10 o  410.407   2.3544 1.530273 4.708894 
1 1 1    2   19   11 o  529.441   2.8786 0.9131470 5.757251 
1 1 1    2   19   12 f  278.965   2.0990 5.634033 4.197911 
1 1 1    2   19   13 o  143.120   3.8047      ?      ? 
1 1 1    2   19   14 o   57.182   5.4739 1.859680 10.94778 
1 1 1    2   19   15 o  279.953   2.2075 -1.328918 4.415078 
1 1 1    2   19   16 o  287.390   2.3420 2.225800 4.683930 
1 1 1    2   19   17 f  119.791   3.2079 4.039375 6.415818 
1 1 1    2   19   18 o  316.596   2.7807 34.41830 5.561361 
1 1 1    2   19   19 o  161.633   2.8225 4.901581 5.644913 
1 1 1    2   19   20 f  140.153   3.3299 7.508911 6.659789 
1 1 1    2   19   21 o   75.218   6.1334 9.952782 12.26675 
1 1 1    2   19   22 o  164.350   3.0053 4.051147 6.010638 
1 1 1    2   19   23 o  261.036   2.9389 -1.828369 5.877732 
1 1 1    2   19   24 o  217.574   2.5829 1.156281 5.165749 
1 1 1    2   19   25 o  254.194   2.3301 -3.517258 4.660197 
1 1 1    2   19   26 o   19.749   6.7813 0.5721436 13.56263 
1 1 1    2   19   27 o   78.214   5.6459 2.309280 11.29187 
1 1 1    2   19   28 o  199.918   4.1494      ?      ? 
1 1 1    2   19   29 o   23.903   7.8151 -4.273455 15.63011 
1 1 1    2   19   30 o  104.799   4.7025 -4.262733 9.405096 
1 1 1    2   19   31 o   64.735   8.3192 30.95653 16.63847 
1 1 1    2   19   32 f   78.468   6.4192 5.128250 12.83835 
1 1 1    2   19   33 o   58.767   8.8831 18.32436 17.76626 
1 1 1    2   19   34 o   28.380   8.8420 5.531160 17.68398 
1 1 1    2   19   35 x  ?   ?       ?      ? 
1 1 1    2   20    0 o  390.435   3.8000 0.000000 0.000000 
1 1 1    2   20    1 o  599.644   3.4347 -1.689880 6.869469 
1 1 1    2   20    2 o  350.087   2.1610 -4.340088 4.322032 
1 1 1    2   20    3 o  486.969   2.6216 0.9338684 5.243236 
1 1 1    2   20    4 o  325.950   1.9079 3.562164 3.815725 
1 1 1    2   20    5 o  407.475   2.5820 0.5388489 5.164008 
1 1 1    2   20    6 o  129.450   2.2477 -2.838058 4.495413 
1 1 1    2   20    7 o   78.292   3.1069 -9.976196 6.213720 
1 1 1    2   20    8 o  248.564   1.7703 -0.7196503 3.540581 
1 1 1    2   20    9 o  180.406   1.7944 -0.2420959 3.588786 
1 1 1    2   20   10 o   46.834   6.1938 22.31366 12.38763 
1 1 1    2   20   11 o  313.408   2.5943 9.724335 5.188527 
1 1 1    2   20   12 f  104.140   3.2520 -10.19717 6.504078 
1 1 1    2   20   13 o  339.424   2.2770 3.551636 4.553988 
1 1 1    2   20   14 o  264.825   2.5057 -0.4367371 5.011468 
1 1 1    2   20   15 o  296.189   2.3503 -3.008911 4.700603 
1 1 1    2   20   16 o  329.072   2.2202 -0.1330872 4.440412 
1 1 1    2   20   17 o  300.383   2.3051 -1.458374 4.610221 
1 1 1    2   20   18 o  271.042   2.5042 1.485626 5.008308 
1 1 1    2   20   19 o  194.265   2.5043 4.326355 5.008539 
1 1 1    2   20   20 f  250.247   2.3474 0.8832397 4.694817 
1 1 1    2   20   21 o   65.578   7.1060 18.57011 14.21201 
1 1 1    2   20   22 f  107.946   4.2390 1.677788 8.478022 
1 1 1    2   20   23 o   92.655   6.3270 10.54529 12.65400 
1 1 1    2   20   24 o   30.094   8.4286 12.02036 16.85730 
1 1 1    2   20   25 o  136.802   3.2409 -8.228516 6.481746 
1 1 1    2   20   26 f  143.130   3.1479 -0.2807617E-02 6.295879 
1 1 1    2   20   27 o   25.598   7.9477 -14.32379 15.89541 
1 1 1    2   20   28 o   58.646   7.9405 -3.716908 15.88096 
1 1 1    2   20   29 o   70.938   6.3140 -2.454720 12.62801 
1 1 1    2   20   30 f  129.975   3.6484 -6.593521 7.296752 
1 1 1    2   20   31 o   31.690   9.3002 -4.316065 18.60043 
1 1 1    2   20   32 o   92.838   5.2636 -1.246170 10.52717 
1 1 1    2   20   33 o   32.596   9.1906 15.58680 18.38114 
1 1 1    2   20   34 o   33.074   9.6404 -0.8708801 19.28079 
1 1 1    2   21    0 o   14.484   7.2579 0.000000 0.000000 
1 1 1    2   21    1 o  405.818   2.2571 5.459045 4.514187 
1 1 1    2   21    2 o  274.587   1.7913 -2.113251 3.582534 
1 1 1    2   21    3 o  519.868   3.0183 -11.02753 6.036663 
1 1 1    2   21    4 o  250.442   1.9532 11.55226 3.906482 
1 1 1    2   21    5 o  184.487   1.8155 -0.8802643 3.630989 
1 1 1    2   21    6 o  179.622   1.8774 2.510391 3.754748 
1 1 1    2   21    7 o   23.056   5.9971 -20.85625 11.99427 
1 1 1    2   21    8 o  276.724   2.1801 10.89981 4.360268 
1 1 1    2   21    9 o  633.690   3.9368 -33.06763 7.873586 
1 1 1    2   21   10 o   55.425   8.3000 36.30995 16.59995 
1 1 1    2   21   11 o  366.780   2.2631 -2.694214 4.526287 
1 1 1    2   21   12 o  286.619   2.5367 -24.41724 5.073479 
1 1 1    2   21   13 o  369.213   2.7380 -7.167664 5.476032 
1 1 1    2   21   14 f  218.484   2.3041 -3.125366 4.608115 
1 1 1    2   21   15 o  225.500   2.1340 6.911850 4.267995 
1 1 1    2   21   16 o   20.196   6.7696 1.676252 13.53916 
1 1 1    2   21   17 o  105.987   3.6451 1.090027 7.290120 
1 1 1    2   21   18 o  162.245   2.6590 -7.160980 5.317975 
1 1 1    2   21   19 o  161.890   2.7770 4.813873 5.554087 
1 1 1    2   21   20 o  278.930   2.3349 3.211578 4.669753 
1 1 1    2   21   21 o   72.510   6.0792 12.24444 12.15843 
1 1 1    2   21   22 o   45.258   8.9534 -2.202682 17.90685 
1 1 1    2   21   23 o  156.382   3.6051 -7.759521 7.210137 
1 1 1    2   21   24 o  207.790   2.4349 -6.011581 4.869805 
1 1 1    2   21   25 o   20.504   6.9794 -4.415115 13.95877 
1 1 1    2   21   26 o  100.358   4.3339 9.163330 8.667757 
1 1 1    2   21   27 o   20.427   6.9725 -6.989508 13.94507 
1 1 1    2   21   28 o   67.555   6.5712 7.905926 13.14243 
1 1 1    2   21   29 o   36.432   9.1450 9.020836 18.29008 
1 1 1    2   21   30 o   65.010   7.2958 1.124184 14.59164 
1 1 1    2   21   31 o   38.597   9.8116 -6.012711 19.62329 
1 1 1    2   21   32 f   33.953   9.5819 -1.514751 19.16385 
1 1 1    2   21   33 o   42.145   9.4221 -26.87497 18.84414 
1 1 1    2   22    0 o   68.960   7.1375 0.000000 0.000000 
1 1 1    2   22    1 o  207.970   2.0108 4.511917 4.021656 
1 1 1    2   22    2 o  317.232   2.1354 2.863129 4.270800 
1 1 1    2   22    3 o   77.432   4.4567 2.074402 8.913425 
1 1 1    2   22    4 o  123.208   2.7433 6.126358 5.486633 
1 1 1    2   22    5 o  157.965   3.0878 0.1664734E-01 6.175555 
1 1 1    2   22    6 o  375.346   4.3784      ?      ? 
1 1 1    2   22    7 o  494.348   2.8010 -8.367432 5.602055 
1 1 1    2   22    8 o  227.119   2.1925 7.053085 4.385076 
1 1 1    2   22    9 o  272.824   2.0455 2.217102 4.091047 
1 1 1    2   22   10 o  271.038   2.4477 14.36673 4.895319 
1 1 1    2   22   11 o  237.691   2.2502 -2.890839 4.500467 
1 1 1    2   22   12 o  204.966   2.0518 2.516907 4.103633 
1 1 1    2   22   13 o  290.425   2.3585 2.594604 4.717050 
1 1 1    2   22   14 o  149.047   2.6052 -7.562012 5.210377 
1 1 1    2   22   15 o  196.507   2.2376 -2.225861 4.475230 
1 1 1    2   22   16 o  155.063   2.5301 5.709167 5.060182 
1 1 1    2   22   17 o  227.170   2.5497 3.501480 5.099311 
1 1 1    2   22   18 o  180.056   2.4057 0.5897522 4.811496 
1 1 1    2   22   19 o  139.024   2.9324 4.319717 5.864824 
1 1 1    2   22   20 o  123.985   3.2873 -4.104248 6.574529 
1 1 1    2   22   21 o   50.873   7.8767 -19.08741 15.75336 
1 1 1    2   22   22 o  164.643   2.7233 -3.980850 5.446591 
1 1 1    2   22   23 o  122.355   4.5015 -3.934906 9.003007 
1 1 1    2   22   24 f   28.854   8.3220 6.043203 16.64399 
1 1 1    2   22   25 o  114.448   3.7705 -4.934189 7.540910 
1 1 1    2   22   26 o  135.927   3.2699 0.3645477 6.539814 
1 1 1    2   22   27 o   78.166   5.4959 -7.069336 10.99172 
1 1 1    2   22   28 o   28.485   8.5982 -8.587366 17.19648 
1 1 1    2   22   29 o   50.212   7.5284 -45.03915 15.05690 
1 1 1    2   22   30 o   27.785   8.5683 1.781906 17.13660 
1 1 1    2   22   31 o   31.902   9.2983 1.523621 18.59660 
1 1 1    2   22   32 o   30.581   9.0819 2.952000 18.16384 
1 1 1    2   22   33 o   25.501   8.3014 -15.54874 16.60279 
1 1 1    2   23    0 o  395.930   3.2479 0.000000 0.000000 
1 1 1    2   23    1 o   18.682   9.3088      ?      ? 
1 1 1    2   23    2 o  297.980   1.9900 -1.631714 3.980022 
1 1 1    2   23    3 o  422.024   2.3948 -6.671173 4.789542 
1 1 1    2   23    4 o  312.703   2.1903 -1.756561 4.380534 
1 1 1    2   23    5 o   58.389   5.8478 8.004879 11.69565 
1 1 1    2   23    6 o  166.287   2.3444 10.63046 4.688755 
1 1 1    2   23    7 o  301.843   2.4065 -7.158112 4.812940 
1 1 1    2   23    8 o  153.080   3.2980 -46.69617 6.595981 
1 1 1    2   23    9 o   70.281   6.7068 -25.67029 13.41354 
1 1 1    2   23   10 o  205.596   2.0103 0.5686188 4.020642 
1 1 1    2   23   11 o  355.394   2.5749 12.55878 5.149847 
1 1 1    2   23   12 x  ?   ?       ?      ? 
1 1 1    2   23   13 o  160.016   2.4156 4.335373 4.831156 
1 1 1    2   23   14 o  277.410   2.1108 0.8401794 4.221524 
1 1 1    2   23   15 o   77.235   4.5634 -3.982567 9.126712 
1 1 1    2   23   16 o  118.177   3.2155 2.852997 6.430958 
1 1 1    2   23   17 o  121.118   3.1370 -5.869537 6.274087 
1 1 1    2   23   18 o   91.511   4.0905 -5.436226 8.180996 
1 1 1    2   23   19 o   25.940   7.7680 -9.381643 15.53604 
1 1 1    2   23   20 o   73.888   5.0723 -2.939590 10.14453 
1 1 1    2   23   21 o  135.229   2.8736 0.8032990 5.747117 
1 1 1    2   23   22 o   25.093   7.7196 -3.390718 15.43924 
1 1 1    2   23   23 o  130.613   3.2319 4.497696 6.463895 
1 1 1    2   23   24 o   68.750   5.9192 -4.754707 11.83834 
1 1 1    2   23   25 o   59.805   7.1178 14.85579 14.23556 
1 1 1    2   23   26 o  172.988   2.6670 -12.27626 5.334011 
1 1 1    2   23   27 o   31.415   8.6624 -12.25478 17.32488 
1 1 1    2   23   28 f   30.118   8.1039 -25.89323 16.20780 
1 1 1    2   23   29 o   51.391   8.6648 -7.464806 17.32955 
1 1 1    2   23   30 o   38.116   9.5729 -3.770569 19.14578 
1 1 1    2   23   31 o   76.111   6.2979 -13.60361 12.59581 
1 1 1    2   23   32 o   69.622   7.5710 5.467781 15.14201 
1 1 1    2   24    0 o  204.226   3.6644 0.000000 0.000000 
1 1 1    2   24    1 f  290.668   2.3767 -24.28586 4.753334 
1 1 1    2   24    2 o  356.948   2.1933 -1.006042 4.386574 
1 1 1    2   24    3 o  275.528   2.7981 -48.67134 5.596201 
1 1 1    2   24    4 o  308.605   2.2299 -8.742065 4.459731 
1 1 1    2   24    5 o  264.511   2.3096 -0.4078064 4.619267 
1 1 1    2   24    6 o  282.489   2.0643 -3.068024 4.128666 
1 1 1    2   24    7 o  179.474   2.1816 -1.292801 4.363295 
1 1 1    2   24    8 o  219.050   2.0526 -6.457321 4.105254 
1 1 1    2   24    9 o  326.115   2.9630 -13.33667 5.925935 
1 1 1    2   24   10 o  173.512   2.7269 26.66129 5.453780 
1 1 1    2   24   11 o  294.642   2.1993 6.118835 4.398676 
1 1 1    2   24   12 o  247.422   2.0581 2.529282 4.116177 
1 1 1    2   24   13 o  161.538   2.5081 10.39320 5.016243 
1 1 1    2   24   14 o  344.780   2.2753 5.225739 4.550505 
1 1 1    2   24   15 f  257.159   2.1185 4.983185 4.236979 
1 1 1    2   24   16 o  143.628   2.6951 -7.967178 5.390133 
1 1 1    2   24   17 o   87.684   4.1094 -9.399147 8.218744 
1 1 1    2   24   18 o   46.468   7.7420 0.6480522 15.48390 
1 1 1    2   24   19 o   96.246   3.6661 3.506172 7.332195 
1 1 1    2   24   20 x  ?   ?       ?      ? 
1 1 1    2   24   21 o   40.243   8.1277 -4.271370 16.25544 
1 1 1    2   24   22 o  109.326   3.4537 8.029213 6.907491 
1 1 1    2   24   23 o  126.328   3.1574 14.14909 6.314758 
1 1 1    2   24   24 o   19.325   6.5791 0.8073139 13.15819 
1 1 1    2   24   25 o   58.374   7.2423 7.454548 14.48466 
1 1 1    2   24   26 f   76.932   5.2113 -11.12708 10.42268 
1 1 1    2   24   27 o   30.265   8.6032 2.594296 17.20630 
1 1 1    2   24   28 o   22.201   7.4474 -8.234182 14.89470 
1 1 1    2   24   29 o  140.630   3.4096 4.334732 6.819213 
1 1 1    2   24   30 o   53.265   8.8539 -10.94630 17.70783 
1 1 1    2   24   31 o   31.417   9.1607 -8.801411 18.32140 
1 1 1    2   25    0 o   28.872   11.566 0.000000 0.000000 
1 1 1    2   25    1 o  172.366   2.3169 -4.988632 4.633868 
1 1 1    2   25    2 o   89.539   4.4076 -8.167168 8.815140 
1 1 1    2   25    3 o  355.957   2.1704 3.644440 4.340715 
1 1 1    2   25    4 o  171.349   2.3245 1.661453 4.648965 
1 1 1    2   25    5 o   88.853   5.5384      ?      ? 
1 1 1    2   25    6 o  162.721   3.2252 -59.95427 6.450435 
1 1 1    2   25    7 o  265.480   2.4119 -4.023193 4.823782 
1 1 1    2   25    8 o   26.538   8.3161 -6.017216 16.63221 
1 1 1    2   25    9 o  217.040   2.0689 5.115845 4.137709 
1 1 1    2   25   10 o   91.194   3.8031 -10.14077 7.606271 
1 1 1    2   25   11 o   65.128   5.2752 11.35662 10.55050 
1 1 1    2   25   12 o  213.068   2.2269 -1.073898 4.453775 
1 1 1    2   25   13 o   40.339   8.0702 -1.951019 16.14034 
1 1 1    2   25   14 o  132.283   2.7349 -0.4966278 5.469864 
1 1 1    2   25   15 o  164.488   2.7359 -4.991150 5.471819 
1 1 1    2   25   16 o   78.216   4.4396 -8.218826 8.879124 
1 1 1    2   25   17 f  185.446   2.2201 -2.465988 4.440293 
1 1 1    2   25   18 f   29.471   8.0514 2.045284 16.10277 
1 1 1    2   25   19 o   50.261   6.7623 -11.62246 13.52463 
1 1 1    2   25   20 o  218.969   2.1073 -0.6713867 4.214624 
1 1 1    2   25   21 o   53.460   6.3922 6.134640 12.78435 
1 1 1    2   25   22 o   39.879   6.4462 -38.99961 12.89235 
1 1 1    2   25   23 o  136.132   2.9210 -7.700134 5.842074 
1 1 1    2   25   24 o  108.418   3.5491 3.574806 7.098139 
1 1 1    2   25   25 o   64.215   6.4253 -17.85229 12.85056 
1 1 1    2   25   26 o   38.860   8.2070 19.32561 16.41395 
1 1 1    2   25   27 o   24.600   7.7373 6.264011 15.47468 
1 1 1    2   25   28 o  158.898   3.0807 -6.245270 6.161385 
1 1 1    2   25   29 o   25.450   8.1600 -9.659506 16.31991 
1 1 1    2   25   30 o   19.870   6.8578 -3.944820 13.71569 
1 1 1    2   26    0 o   41.432   12.365 0.000000 0.000000 
1 1 1    2   26    1 o  246.182   2.0557 4.634354 4.111382 
1 1 1    2   26    2 o  113.599   3.6008 6.591316 7.201515 
1 1 1    2   26    3 o  260.657   2.0495 -3.721344 4.099078 
1 1 1    2   26    4 o   66.128   6.0218 -23.40103 12.04358 
1 1 1    2   26    5 o  234.259   2.4024 8.995834 4.804735 
1 1 1    2   26    6 o  198.253   2.2140 7.544235 4.428081 
1 1 1    2   26    7 o  164.038   2.4295 2.194000 4.858992 
1 1 1    2   26    8 o   61.030   6.8864 -16.94883 13.77287 
1 1 1    2   26    9 o   76.003   4.8815 12.26926 9.763074 
1 1 1    2   26   10 o   67.035   5.3157 24.60860 10.63134 
1 1 1    2   26   11 o  123.113   2.8838 -2.801628 5.767621 
1 1 1    2   26   12 o  226.840   2.0926 -0.6661987E-01 4.185267 
1 1 1    2   26   13 o  121.987   3.3127 1.536476 6.625444 
1 1 1    2   26   14 o   29.169   7.9538 -5.876698 15.90756 
1 1 1    2   26   15 o  207.251   2.2058 1.861755 4.411542 
1 1 1    2   26   16 o   72.596   4.5153 5.129166 9.030581 
1 1 1    2   26   17 o   23.283   7.0223 -9.944901 14.04456 
1 1 1    2   26   18 o   71.563   4.5046 5.088669 9.009197 
1 1 1    2   26   19 o  170.548   2.2324 0.4463501 4.464814 
1 1 1    2   26   20 o  121.338   2.8480 -1.765762 5.696033 
1 1 1    2   26   21 o  103.371   4.1323 -43.27058 8.264575 
1 1 1    2   26   22 o   30.861   7.7436 -17.26239 15.48723 
1 1 1    2   26   23 o   80.743   4.4816 4.833694 8.963206 
1 1 1    2   26   24 o   44.896   8.0811 4.385345 16.16216 
1 1 1    2   26   25 o   52.459   7.3897 15.11962 14.77934 
1 1 1    2   26   26 o   86.754   4.6157 -6.288582 9.231340 
1 1 1    2   26   27 o   37.422   8.5922 -15.39970 17.18446 
1 1 1    2   26   28 o   92.890   4.5360 0.8422241 9.071959 
1 1 1    2   26   29 o   57.191   7.5830 15.48262 15.16592 
1 1 1    2   27    0 o   16.306   8.1765 0.000000 0.000000 
1 1 1    2   27    1 o  171.930   2.3516 -0.6600189 4.703262 
1 1 1    2   27    2 o  188.821   2.2508 3.203323 4.501612 
1 1 1    2   27    3 o  157.666   2.5153 0.6357269 5.030630 
1 1 1    2   27    4 o  201.633   2.1546 2.967499 4.309246 
1 1 1    2   27    5 o  185.449   2.3340 2.083023 4.668008 
1 1 1    2   27    6 o  126.979   3.0055 -7.680740 6.010958 
1 1 1    2   27    7 o  197.746   2.2374 -1.906815 4.474806 
1 1 1    2   27    8 o  113.701   3.2643 -7.281372 6.528655 
1 1 1    2   27    9 o   44.705   7.5324 -25.16143 15.06476 
1 1 1    2   27   10 o   86.014   4.6413 6.209351 9.282666 
1 1 1    2   27   11 o  146.314   2.4833 1.821884 4.966524 
1 1 1    2   27   12 o   82.525   4.1327 12.83517 8.265491 
1 1 1    2   27   13 o  172.891   2.2259 3.719604 4.451700 
1 1 1    2   27   14 o  123.642   2.7374 10.28194 5.474815 
1 1 1    2   27   15 o   68.186   4.7260 -15.32187 9.452032 
1 1 1    2   27   16 o   92.035   3.5079 -1.683701 7.015769 
1 1 1    2   27   17 o   90.963   3.9199 -16.76093 7.839834 
1 1 1    2   27   18 o  169.807   2.2068 -2.535400 4.413667 
1 1 1    2   27   19 o   28.524   7.8614 -6.487354 15.72273 
1 1 1    2   27   20 o   87.551   4.5841 -4.743034 9.168205 
1 1 1    2   27   21 o   46.586   7.2604 -6.954208 14.52072 
1 1 1    2   27   22 o   20.765   7.0166 -5.048569 14.03326 
1 1 1    2   27   23 o   38.447   8.2908 1.905685 16.58152 
1 1 1    2   27   24 o   73.664   5.0083 16.30103 10.01655 
1 1 1    2   27   25 o  109.012   3.5707 11.99945 7.141475 
1 1 1    2   27   26 o   81.357   4.8427 -5.578209 9.685489 
1 1 1    2   27   27 o   36.601   8.3341 19.87307 16.66815 
1 1 1    2   27   28 o   62.483   6.4223 -0.2002716E-01 12.84461 
1 1 1    2   28    0 o   20.538   9.6935 0.000000 0.000000 
1 1 1    2   28    1 o  131.347   2.9295 -3.893417 5.859058 
1 1 1    2   28    2 o  178.734   2.2939 -4.790771 4.587864 
1 1 1    2   28    3 o  228.509   2.2859 2.695114 4.571743 
1 1 1    2   28    4 f   74.623   4.8948 -9.191307 9.789551 
1 1 1    2   28    5 o  118.469   3.2256 -9.201057 6.451217 
1 1 1    2   28    6 o  147.000   2.6720 -0.5028076 5.344014 
1 1 1    2   28    7 o  115.846   3.1649 -10.04868 6.329748 
1 1 1    2   28    8 o   71.479   4.8757 8.018730 9.751409 
1 1 1    2   28    9 o  144.016   2.5994 0.2039032 5.198798 
1 1 1    2   28   10 o   71.977   4.6583 -9.737648 9.316504 
1 1 1    2   28   11 o  146.723   2.4170 -0.1021271 4.833910 
1 1 1    2   28   12 o  161.320   2.3195 4.511139 4.639098 
1 1 1    2   28   13 o   54.988   6.3489 -19.98286 12.69780 
1 1 1    2   28   14 o  132.898   2.5315 6.865570 5.062978 
1 1 1    2   28   15 o  118.106   2.7582 -4.648888 5.516442 
1 1 1    2   28   16 o   49.230   6.4663 32.80193 12.93270 
1 1 1    2   28   17 o  154.843   2.3012 -8.362885 4.602381 
1 1 1    2   28   18 o  109.894   3.0758 -6.956543 6.151566 
1 1 1    2   28   19 o  106.247   3.1656 5.844124 6.331164 
1 1 1    2   28   20 o   38.939   7.8404 14.56934 15.68084 
1 1 1    2   28   21 o   55.056   6.3235 -10.82320 12.64701 
1 1 1    2   28   22 o   42.720   6.8472 32.14731 13.69445 
1 1 1    2   28   23 o   38.614   8.3096 -4.156193 16.61914 
1 1 1    2   28   24 o   71.176   5.1053 0.8849106 10.21063 
1 1 1    2   28   25 o   30.601   8.3266 -10.55937 16.65323 
1 1 1    2   28   26 o   41.017   8.5772 -12.67719 17.15432 
1 1 1    2   28   27 o   22.248   7.2724 8.775330 14.54480 
1 1 1    2   29    0 o  175.187   3.2428 0.000000 0.000000 
1 1 1    2   29    1 o   38.811   8.8120 2.570618 17.62403 
1 1 1    2   29    2 o   28.727   8.1115 6.392199 16.22299 
1 1 1    2   29    3 x  ?   ?       ?      ? 
1 1 1    2   29    4 o  118.813   3.1134 7.476021 6.226745 
1 1 1    2   29    5 o  132.927   3.0037 2.813400 6.007481 
1 1 1    2   29    6 o  112.556   3.3075 -8.441010 6.614984 
1 1 1    2   29    7 o  121.618   3.0046 -4.861450 6.009131 
1 1 1    2   29    8 o   87.878   3.8624 9.580757 7.724774 
1 1 1    2   29    9 o  104.600   3.1726 1.709518 6.345238 
1 1 1    2   29   10 o   59.425   5.3706 9.320015 10.74119 
1 1 1    2   29   11 o   63.371   4.9982 -10.21388 9.996305 
1 1 1    2   29   12 o   39.932   6.8929 25.32892 13.78588 
1 1 1    2   29   13 o   60.168   5.1395 10.81430 10.27903 
1 1 1    2   29   14 o   27.998   7.6851 -0.3076763 15.37019 
1 1 1    2   29   15 o   21.958   6.8729 -2.963106 13.74588 
1 1 1    2   29   16 o  132.878   2.6517 -8.814270 5.303437 
1 1 1    2   29   17 o  147.667   2.4261 1.730103 4.852134 
1 1 1    2   29   18 o  163.586   2.2909 -2.999817 4.581818 
1 1 1    2   29   19 o   53.154   6.1797 10.64608 12.35947 
1 1 1    2   29   20 o  147.178   2.4344 -6.211472 4.868736 
1 1 1    2   29   21 o   77.277   4.7020 5.146706 9.403906 
1 1 1    2   29   22 o   40.192   7.6682 -17.68903 15.33649 
1 1 1    2   29   23 o   39.037   7.8528 21.01105 15.70560 
1 1 1    2   29   24 f   28.432   8.1301 -6.216017 16.26015 
1 1 1    2   29   25 f   52.912   7.3226 -8.293522 14.64523 
1 1 1    2   29   26 o   27.932   8.1153 -7.452484 16.23061 
1 1 1    2   30    0 o  140.366   3.7097 0.000000 0.000000 
1 1 1    2   30    1 o  182.354   2.1778 2.058777 4.355622 
1 1 1    2   30    2 o   66.274   5.7015 3.444099 11.40293 
1 1 1    2   30    3 o  150.998   2.4751 -4.188538 4.950283 
1 1 1    2   30    4 o  148.179   2.4721 -2.836792 4.944277 
1 1 1    2   30    5 o  123.156   2.9402 -0.6292725 5.880483 
1 1 1    2   30    6 o   99.494   3.5265 0.1448593 7.053090 
1 1 1    2   30    7 o   20.089   6.7805 0.3685379 13.56104 
1 1 1    2   30    8 o  104.233   3.2198 3.200500 6.439664 
1 1 1    2   30    9 o   19.589   6.4613 -2.142561 12.92252 
1 1 1    2   30   10 o  129.091   2.5780 4.526215 5.156048 
1 1 1    2   30   11 o   57.169   5.3651 6.995392 10.73026 
1 1 1    2   30   12 o   37.332   7.3173 18.18116 14.63457 
1 1 1    2   30   13 o   65.284   5.0173 -19.51685 10.03452 
1 1 1    2   30   14 o   56.150   5.5794 -5.133293 11.15873 
1 1 1    2   30   15 o   96.854   4.4086 16.56323 8.817248 
1 1 1    2   30   16 o  117.215   2.8766 6.652290 5.753239 
1 1 1    2   30   17 o  101.478   3.3378 -0.3755875 6.675652 
1 1 1    2   30   18 f   49.231   7.1276 11.20459 14.25525 
1 1 1    2   30   19 o   96.518   3.4151 -17.99339 6.830138 
1 1 1    2   30   20 o   64.239   5.2421 16.85131 10.48419 
1 1 1    2   30   21 o   27.824   8.3616 -1.786427 16.72316 
1 1 1    2   30   22 o   57.696   6.5810 22.43781 13.16197 
1 1 1    2   30   23 o   32.571   8.4629 1.730989 16.92581 
1 1 1    2   30   24 o   53.603   7.2347 -7.209942 14.46932 
1 1 1    2   30   25 o   59.359   6.9993 -13.37508 13.99852 
1 1 1    2   31    0 o  179.140   2.9627 0.000000 0.000000 
1 1 1    2   31    1 o  132.311   2.6021 -0.7752380 5.204174 
1 1 1    2   31    2 o   58.227   5.5715 -7.610180 11.14293 
1 1 1    2   31    3 o   85.774   3.8877 3.063385 7.775438 
1 1 1    2   31    4 o   76.124   4.3057 -13.75781 8.611325 
1 1 1    2   31    5 o   37.102   7.9994 7.151672 15.99888 
1 1 1    2   31    6 o  102.633   3.2280 0.7825623 6.456059 
1 1 1    2   31    7 o  229.558   1.9713 0.2573700 3.942585 
1 1 1    2   31    8 o   25.267   7.4366 0.1639099 14.87314 
1 1 1    2   31    9 o  148.629   2.7239 -2.226685 5.447748 
1 1 1    2   31   10 o   18.652   6.4598 9.179334 12.91969 
1 1 1    2   31   11 o   51.311   6.4402 -6.526829 12.88049 
1 1 1    2   31   12 o  120.138   3.4148 1.554131 6.829653 
1 1 1    2   31   13 o   21.702   6.9450 -1.551550 13.89007 
1 1 1    2   31   14 o   20.859   6.9497 3.443480 13.89937 
1 1 1    2   31   15 o  146.172   2.7853 -1.556763 5.570514 
1 1 1    2   31   16 o   23.766   7.2194 -4.581285 14.43876 
1 1 1    2   31   17 o   28.714   7.7770 -2.749739 15.55400 
1 1 1    2   31   18 o  127.100   2.6752 -3.357964 5.350393 
1 1 1    2   31   19 o  100.716   3.3944 -1.979607 6.788710 
1 1 1    2   31   20 f   87.107   4.7474 -5.421471 9.494775 
1 1 1    2   31   21 o   29.428   7.9296 14.86149 15.85918 
1 1 1    2   31   22 o   26.736   7.9085 3.495768 15.81700 
1 1 1    2   31   23 o   26.500   7.7571 -11.86598 15.51417 
1 1 1    2   31   24 o   69.246   6.1392 -11.86293 12.27842 
1 1 1    2   32    0 o   15.187   7.5784 0.000000 0.000000 
1 1 1    2   32    1 o  100.903   3.1575 3.652206 6.314948 
1 1 1    2   32    2 o   81.321   3.8803 -4.790939 7.760509 
1 1 1    2   32    3 f   50.020   6.3660 4.740627 12.73202 
1 1 1    2   32    4 o  111.846   2.8811 -4.191338 5.762200 
1 1 1    2   32    5 o   37.723   8.0928 -13.78444 16.18554 
1 1 1    2   32    6 o   37.015   7.8825 -0.8997955 15.76505 
1 1 1    2   32    7 o   24.747   7.3644 -1.680851 14.72889 
1 1 1    2   32    8 o   26.458   7.6038 1.823101 15.20752 
1 1 1    2   32    9 o  121.752   4.4415      ?      ? 
1 1 1    2   32   10 o  107.763   2.9899 1.776863 5.979733 
1 1 1    2   32   11 o   84.452   3.9322 11.37658 7.864432 
1 1 1    2   32   12 o   52.639   6.5167 -17.61465 13.03332 
1 1 1    2   32   13 o   51.668   6.4521 9.683956 12.90423 
1 1 1    2   32   14 o   52.299   6.4970 19.14693 12.99400 
1 1 1    2   32   15 o  101.678   3.2572 0.5915222 6.514365 
1 1 1    2   32   16 o   33.968   8.5573 2.004005 17.11456 
1 1 1    2   32   17 o   43.988   7.4609 10.72326 14.92171 
1 1 1    2   32   18 o   23.715   7.2134 -8.368801 14.42678 
1 1 1    2   32   19 o   79.186   4.5328 -11.44080 9.065649 
1 1 1    2   32   20 o   77.490   4.6971 4.800751 9.394258 
1 1 1    2   32   21 f   88.296   4.3441 -19.75380 8.688197 
1 1 1    2   32   22 o   66.965   5.6131 -1.540314 11.22614 
1 1 1    2   33    0 o   14.826   7.4784 0.000000 0.000000 
1 1 1    2   33    1 o   48.356   6.8158 2.696629 13.63152 
1 1 1    2   33    2 o   84.090   4.1576 -5.310829 8.315126 
1 1 1    2   33    3 o  101.521   4.8193 -14.93198 9.638502 
1 1 1    2   33    4 o  137.318   2.7383 -7.670212 5.476616 
1 1 1    2   33    5 o   36.874   7.8761 -10.50350 15.75213 
1 1 1    2   33    6 o   72.189   5.1522 22.34164 10.30443 
1 1 1    2   33    7 o   26.760   7.7671 7.122658 15.53416 
1 1 1    2   33    8 o   32.737   7.6852 13.66399 15.37050 
1 1 1    2   33    9 o   51.285   6.3649 11.90048 12.72973 
1 1 1    2   33   10 o   84.709   3.8069 3.579163 7.613749 
1 1 1    2   33   11 o  101.783   3.3717 14.12191 6.743305 
1 1 1    2   33   12 o   20.746   6.7082 -4.683168 13.41633 
1 1 1    2   33   13 o   95.617   3.4750 -13.93357 6.949997 
1 1 1    2   33   14 o   18.163   6.1473 -5.003635 12.29468 
1 1 1    2   33   15 o   43.035   7.5900 -12.47402 15.17998 
1 1 1    2   33   16 o   35.278   8.2145 -4.550617 16.42895 
1 1 1    2   33   17 o   59.865   5.9090 2.124275 11.81804 
1 1 1    2   33   18 o   89.158   4.7773 -3.060768 9.554596 
1 1 1    2   33   19 f   64.341   5.6067 9.681824 11.21349 
1 1 1    2   33   20 o   20.381   6.8082 -2.835442 13.61635 
1 1 1    2   33   21 o   34.029   8.6629 10.88713 17.32585 
1 1 1    2   34    0 o   35.774   11.261 0.000000 0.000000 
1 1 1    2   34    1 o   24.066   7.0711 9.207388 14.14218 
1 1 1    2   34    2 o   23.921   7.1996 -6.307585 14.39919 
1 1 1    2   34    3 o   62.682   4.9704 -3.050194 9.940823 
1 1 1    2   34    4 o   99.227   3.2254 -3.631500 6.450793 
1 1 1    2   34    5 o   17.306   5.9169 7.260794 11.83375 
1 1 1    2   34    6 o   53.373   6.2295 5.889862 12.45896 
1 1 1    2   34    7 o  116.852   2.9070 -2.209267 5.814008 
1 1 1    2   34    8 o   40.034   7.3932 -11.28409 14.78639 
1 1 1    2   34    9 o   60.354   5.3376 -0.3747978 10.67525 
1 1 1    2   34   10 o   86.053   4.0963 3.520760 8.192533 
1 1 1    2   34   11 o   50.891   6.9184 -13.83036 13.83684 
1 1 1    2   34   12 o  118.195   2.9623 4.990456 5.924642 
1 1 1    2   34   13 o   25.088   7.4079 -7.908455 14.81579 
1 1 1    2   34   14 o   85.633   4.1261 -2.642395 8.252249 
1 1 1    2   34   15 o   40.319   8.2760 3.724388 16.55205 
1 1 1    2   34   16 o  122.251   3.5470 -0.5286255 7.094044 
1 1 1    2   34   17 o   57.765   7.4198 8.830891 14.83950 
1 1 1    2   34   18 o   54.924   6.7503 18.45382 13.50054 
1 1 1    2   34   19 o   32.601   8.6351 3.339613 17.27023 
1 1 1    2   35    0 o   15.727   7.8033 0.000000 0.000000 
1 1 1    2   35    1 o   85.870   3.9198 -6.009575 7.839535 
1 1 1    2   35    2 o   34.186   7.8708 8.662409 15.74155 
1 1 1    2   35    3 o  110.046   2.9928 -1.026527 5.985528 
1 1 1    2   35    4 f   19.001   6.4048 4.531878 12.80958 
1 1 1    2   35    5 o   76.616   4.3645 -3.300880 8.729002 
1 1 1    2   35    6 o   52.675   8.5890 17.57666 17.17794 
1 1 1    2   35    7 o   31.707   6.8405 -25.10922 13.68096 
1 1 1    2   35    8 o   19.529   6.4754 0.9592667 12.95081 
1 1 1    2   35    9 o  103.774   3.2390 -2.995766 6.478032 
1 1 1    2   35   10 o   33.400   8.1312 3.565681 16.26233 
1 1 1    2   35   11 o   34.502   7.0163 -29.16558 14.03264 
1 1 1    2   35   12 o   21.983   7.0786 -4.548620 14.15714 
1 1 1    2   35   13 o   34.129   8.4900 2.022930 16.97996 
1 1 1    2   35   14 o   18.269   6.2639 3.726192 12.52778 
1 1 1    2   35   15 o   23.005   7.3184 1.796303 14.63685 
1 1 1    2   35   16 o   30.833   8.1772 0.9297066 16.35432 
1 1 1    2   35   17 o   34.390   7.6791 20.88573 15.35822 
1 1 1    2   36    0 o  104.468   4.6297 0.000000 0.000000 
1 1 1    2   36    1 o   22.381   7.0059 5.255972 14.01175 
1 1 1    2   36    2 o   46.915   6.9681 15.59611 13.93617 
1 1 1    2   36    3 o   25.241   7.5136 2.857098 15.02719 
1 1 1    2   36    4 o   77.225   4.6454 -14.07410 9.290803 
1 1 1    2   36    5 o   79.429   4.4344 3.957672 8.868770 
1 1 1    2   36    6 o   38.431   8.2697 0.1885376 16.53949 
1 1 1    2   36    7 o   29.606   7.9784 -6.244616 15.95683 
1 1 1    2   36    8 o   72.934   4.6602 7.410072 9.320312 
1 1 1    2   36    9 o   30.981   7.9498 13.09462 15.89964 
1 1 1    2   36   10 o   29.611   8.0144 11.44343 16.02877 
1 1 1    2   36   11 o   34.724   8.3845 3.567764 16.76893 
1 1 1    2   36   12 o   97.572   3.7680 3.684303 7.535994 
1 1 1    2   36   13 o   54.596   6.5652 5.161312 13.13042 
1 1 1    2   36   14 o   25.682   7.7220 2.995714 15.44407 
1 1 1    2   36   15 o   40.872   8.1861 6.818966 16.37210 
1 1 1    2   37    0 o   46.452   11.236 0.000000 0.000000 
1 1 1    2   37    1 o   62.926   5.4077 2.676296 10.81541 
1 1 1    2   37    2 o   43.217   8.1353 -19.05666 16.27063 
1 1 1    2   37    3 o   29.863   8.1173 2.035219 16.23469 
1 1 1    2   37    4 o   46.980   7.5651 12.28545 15.13014 
1 1 1    2   37    5 o   25.660   7.7377 -1.183842 15.47538 
1 1 1    2   37    6 o   42.718   8.1234 -2.088104 16.24685 
1 1 1    2   37    7 o   81.387   4.5393 -6.323906 9.078581 
1 1 1    2   37    8 o   21.842   7.0477 6.312904 14.09538 
1 1 1    2   37    9 o   35.935   8.3172 7.517475 16.63433 
1 1 1    2   37   10 o   22.108   7.0682 0.2828026E-01 14.13631 
1 1 1    2   37   11 o   39.475   8.2644 1.901756 16.52878 
1 1 1    2   37   12 o   24.531   7.5817 -2.433678 15.16346 
1 1 1    2   38    0 o   28.233   10.402 0.000000 0.000000 
1 1 1    2   38    1 o   35.769   7.9305 -13.57464 15.86091 
1 1 1    2   38    2 f   27.624   7.9473 -0.7910614 15.89459 
1 1 1    2   38    3 o   57.318   5.9953 3.126682 11.99070 
1 1 1    2   38    4 o   37.122   8.3228 13.62606 16.64559 
1 1 1    2   38    5 o   29.083   8.1134 -3.207291 16.22684 
1 1 1    2   38    6 o   40.721   8.1822 -1.114910 16.36433 
1 1 1    2   38    7 o   28.892   8.0837 2.628277 16.16749 
1 1 1    2   38    8 o   42.921   6.7963 40.49311 13.59251 
1 1 1    2   38    9 x  ?   ?       ?      ? 
1 1 1    2   39    0 x  ?   ?       ?      ? 
1 1 1    3    0    1 o  237.971   1.7790 0.000000 0.000000 
1 1 1    3    0    2 o  327.029   2.4318 0.000000 0.000000 
1 1 1    3    0    3 o   95.581   1.0831 0.000000 0.000000 
1 1 1    3    0    4 o  106.937   1.1959 0.000000 0.000000 
1 1 1    3    0    5 o   95.030   1.6979 0.000000 0.000000 
1 1 1    3    0    6 o  496.673   4.2574 0.000000 0.000000 
1 1 1    3    0    7 o  352.863   2.6857 0.000000 0.000000 
1 1 1    3    0    8 o  358.874   2.7419 0.000000 0.000000 
1 1 1    3    0    9 o  361.414   2.7683 0.000000 0.000000 
1 1 1    3    0   10 o  371.223   2.8510 0.000000 0.000000 
1 1 1    3    0   11 o  433.892   3.2936 0.000000 0.000000 
1 1 1    3    0   12 o  131.923   2.2720 0.000000 0.000000 
1 1 1    3    0   13 o  255.123   2.2761 0.000000 0.000000 
1 1 1    3    0   14 f  393.709   3.0630 0.000000 0.000000 
1 1 1    3    0   15 o   92.116   3.6185 0.000000 0.000000 
1 1 1    3    0   16 o  118.984   3.0491 0.000000 0.000000 
1 1 1    3    0   17 o  266.702   3.0136 0.000000 0.000000 
1 1 1    3    0   18 o  271.336   2.6029 0.000000 0.000000 
1 1 1    3    0   19 o   93.328   5.0881 0.000000 0.000000 
1 1 1    3    0   20 o  193.520   3.1795 0.000000 0.000000 
1 1 1    3    0   21 f  179.530   3.4596 0.000000 0.000000 
1 1 1    3    0   22 o  301.933   3.1056 0.000000 0.000000 
1 1 1    3    0   23 x  ?   ?       ?      ? 
1 1 1    3    0   24 o   73.157   11.693 0.000000 0.000000 
1 1 1    3    0   25 o  107.382   9.4930 0.000000 0.000000 
1 1 1    3    0   26 o  156.733   5.7191 0.000000 0.000000 
1 1 1    3    0   27 o  261.798   3.9070 0.000000 0.000000 
1 1 1    3    0   28 o  120.935   7.3829 0.000000 0.000000 
1 1 1    3    0   29 o   56.987   14.900 0.000000 0.000000 
1 1 1    3    0   30 o  126.339   6.8793 0.000000 0.000000 
1 1 1    3    0   31 o  128.421   6.5536 0.000000 0.000000 
1 1 1    3    0   32 o  119.575   9.3413 0.000000 0.000000 
1 1 1    3    0   33 o  210.465   4.1925 0.000000 0.000000 
1 1 1    3    0   34 o   79.395   12.816 0.000000 0.000000 
1 1 1    3    0   35 o   69.089   12.896 0.000000 0.000000 
1 1 1    3    0   36 o   31.655   13.324 0.000000 0.000000 
1 1 1    3    0   37 o   82.440   10.867 0.000000 0.000000 
1 1 1    3    0   38 o   26.508   12.276 0.000000 0.000000 
1 1 1    3    0   39 o   20.793   10.224 0.000000 0.000000 
1 1 1    3    0   40 f   13.244   9.8036 0.000000 0.000000 
1 1 1    3    1    0 o  456.445   3.3761 0.000000 0.000000 
1 1 1    3    1    1 o  387.767   2.0310 -1.691559 4.061968 
1 1 1    3    1    2 o  535.279   2.7996 1.432007 5.599126 
1 1 1    3    1    3 o  738.883   3.8613 0.8581543 7.722517 
1 1 1    3    1    4 o  346.760   1.9809 4.870026 3.961823 
1 1 1    3    1    5 o  697.757   3.7668 -6.713135 7.533611 
1 1 1    3    1    6 o  724.484   3.9137 5.289490 7.827400 
1 1 1    3    1    7 o  762.137   4.3111 -5.022095 8.622217 
1 1 1    3    1    8 o  675.993   3.5451 3.666687 7.090191 
1 1 1    3    1    9 o  175.929   1.2941 7.008301 2.588162 
1 1 1    3    1   10 o  142.892   1.3986 -0.3830566 2.797170 
1 1 1    3    1   11 o  498.949   2.6520 -2.206726 5.304072 
1 1 1    3    1   12 o  365.382   2.0149 -0.6228333 4.029809 
1 1 1    3    1   13 o  475.916   2.5512 0.6936340 5.102398 
1 1 1    3    1   14 o  301.255   1.7747 -0.7118530 3.549444 
1 1 1    3    1   15 o  178.842   1.6407 6.542282 3.281410 
1 1 1    3    1   16 o   94.345   2.6550 2.350456 5.309942 
1 1 1    3    1   17 o  137.098   2.2545 3.084045 4.508960 
1 1 1    3    1   18 o  380.021   2.1818 -3.445068 4.363586 
1 1 1    3    1   19 o  471.077   2.6012 -6.210266 5.202445 
1 1 1    3    1   20 o  140.003   2.6844 0.7638550E-01 5.368816 
1 1 1    3    1   21 f  592.708   3.2063 -1.248230 6.412574 
1 1 1    3    1   22 o  634.536   3.4284 -3.324707 6.856805 
1 1 1    3    1   23 o   62.230   9.7785 2.889671 19.55708 
1 1 1    3    1   24 o  155.032   3.5169 1.368958 7.033797 
1 1 1    3    1   25 o  215.715   3.3778 2.054962 6.755661 
1 1 1    3    1   26 o   50.947   10.663 4.935589 21.32529 
1 1 1    3    1   27 o  152.400   4.0941 3.627197 8.188263 
1 1 1    3    1   28 o  135.043   4.7285 10.10800 9.457039 
1 1 1    3    1   29 o   92.069   6.6948 -5.769279 13.38964 
1 1 1    3    1   30 o   96.187   6.5250 -2.266518 13.05006 
1 1 1    3    1   31 o  206.360   3.0463 -4.878769 6.092698 
1 1 1    3    1   32 o  138.234   4.0797 -3.760986 8.159372 
1 1 1    3    1   33 o   39.118   9.3540 26.09079 18.70801 
1 1 1    3    1   34 o  238.273   3.2651 5.994156 6.530222 
1 1 1    3    1   35 o   43.972   10.235 11.84556 20.47003 
1 1 1    3    1   36 o   88.417   6.5440 5.998718 13.08810 
1 1 1    3    1   37 o   55.968   9.8931 -14.92242 19.78624 
1 1 1    3    1   38 o   27.772   9.1127 6.486347 18.22534 
1 1 1    3    1   39 o   29.779   9.1014 5.274313 18.20279 
1 1 1    3    1   40 x  ?   ?       ?      ? 
1 1 1    3    2    0 o   90.571   0.8733 0.000000 0.000000 
1 1 1    3    2    1 o  649.448   3.3950 -4.906982 6.789966 
1 1 1    3    2    2 o  395.744   2.0761 -2.856781 4.152284 
1 1 1    3    2    3 o  383.444   2.0165 -0.8624878 4.032907 
1 1 1    3    2    4 o  217.279   1.1949 -0.6275330 2.389742 
1 1 1    3    2    5 o  351.064   1.8656 0.1082458 3.731277 
1 1 1    3    2    6 o  536.570   2.8182 -4.742676 5.636410 
1 1 1    3    2    7 o  690.105   3.7339 0.4657593 7.467701 
1 1 1    3    2    8 o  540.896   2.8522 3.383728 5.704357 
1 1 1    3    2    9 o  345.861   1.8874 3.883789 3.774775 
1 1 1    3    2   10 o  593.007   3.1242 1.832153 6.248471 
1 1 1    3    2   11 o  664.710   3.4989 -5.839905 6.997714 
1 1 1    3    2   12 o  422.032   2.2797 -0.6894226 4.559362 
1 1 1    3    2   13 o   23.307   6.0541 -7.083385 12.10821 
1 1 1    3    2   14 o  545.316   2.9013 -3.816345 5.802508 
1 1 1    3    2   15 o  371.148   2.2398 -1.545746 4.479589 
1 1 1    3    2   16 o  136.811   2.0681 -0.6941833 4.136285 
1 1 1    3    2   17 o   88.059   3.0082 0.1832809 6.016334 
1 1 1    3    2   18 o  121.018   2.5396 3.208214 5.079263 
1 1 1    3    2   19 o  431.710   2.4347 2.311951 4.869340 
1 1 1    3    2   20 o  132.054   2.9341 0.7779999 5.868220 
1 1 1    3    2   21 o  332.877   2.1868 -2.910522 4.373620 
1 1 1    3    2   22 o  451.233   2.6014 -0.5145264 5.202707 
1 1 1    3    2   23 f  311.218   3.0920 1.702179 6.184024 
1 1 1    3    2   24 o  326.569   2.4623 -3.662659 4.924695 
1 1 1    3    2   25 o  175.200   3.5237 0.8058167 7.047395 
1 1 1    3    2   26 o  147.069   4.1974 -11.29239 8.394849 
1 1 1    3    2   27 o  335.010   2.6281 5.437958 5.256217 
1 1 1    3    2   28 o  388.889   2.6819 -5.102570 5.363893 
1 1 1    3    2   29 o  141.960   4.4609 2.257309 8.921900 
1 1 1    3    2   30 o  255.409   2.8865 -9.140961 5.772902 
1 1 1    3    2   31 o  287.625   2.5537 -3.954437 5.107489 
1 1 1    3    2   32 o   78.224   7.1633 11.36841 14.32670 
1 1 1    3    2   33 o   98.776   5.4275 5.336525 10.85496 
1 1 1    3    2   34 o  146.659   8.1511      ?      ? 
1 1 1    3    2   35 o   73.033   7.2727 13.90333 14.54544 
1 1 1    3    2   36 o  114.473   5.2155 10.22030 10.43103 
1 1 1    3    2   37 o   34.073   10.030 1.147556 20.05975 
1 1 1    3    2   38 o   33.772   9.8564 -5.743839 19.71280 
1 1 1    3    2   39 o   39.970   9.9995 -5.934444 19.99904 
1 1 1    3    3    0 o   81.377   1.2353 0.000000 0.000000 
1 1 1    3    3    1 o  109.511   0.7031 -1.532463 1.406262 
1 1 1    3    3    2 o  552.419   2.8973 0.5122070 5.794604 
1 1 1    3    3    3 o  617.980   3.2371 3.817871 6.474280 
1 1 1    3    3    4 o  480.917   2.6074 0.1262207 5.214804 
1 1 1    3    3    5 o  698.211   3.6548 0.3931274 7.309503 
1 1 1    3    3    6 o  795.930   4.1641 -0.9689941 8.328111 
1 1 1    3    3    7 o  269.392   1.6221 -0.1925964 3.244244 
1 1 1    3    3    8 o  144.828   1.2264 7.946289 2.452755 
1 1 1    3    3    9 o  347.420   1.8947 4.289795 3.789447 
1 1 1    3    3   10 o   98.607   1.7032 -1.692833 3.406446 
1 1 1    3    3   11 o   68.683   2.5912 4.152046 5.182412 
1 1 1    3    3   12 o  510.253   2.7150 1.005402 5.429968 
1 1 1    3    3   13 o  217.902   1.5179 2.787857 3.035755 
1 1 1    3    3   14 o  420.401   2.2940 1.574890 4.587932 
1 1 1    3    3   15 o   83.398   2.7734 -6.073944 5.546724 
1 1 1    3    3   16 o  202.185   1.8244 -5.649078 3.648821 
1 1 1    3    3   17 o  387.235   2.1857 2.931854 4.371311 
1 1 1    3    3   18 o  133.476   2.7044 2.948471 5.408875 
1 1 1    3    3   19 o  302.138   1.9987 2.442078 3.997471 
1 1 1    3    3   20 o  311.875   2.2741 2.548035 4.548154 
1 1 1    3    3   21 o  668.378   3.5776 5.790466 7.155287 
1 1 1    3    3   22 o  361.552   2.3045 -0.9753113 4.608985 
1 1 1    3    3   23 o  202.522   4.9810      ?      ? 
1 1 1    3    3   24 o   75.839   7.6012 -27.42610 15.20250 
1 1 1    3    3   25 o  347.271   2.5303 2.228363 5.060652 
1 1 1    3    3   26 o  174.665   3.8892 -10.07089 7.778323 
1 1 1    3    3   27 o  307.265   2.6666 0.9524536 5.333191 
1 1 1    3    3   28 o   92.103   6.4658 10.74540 12.93161 
1 1 1    3    3   29 o  133.546   4.6593 6.352875 9.318528 
1 1 1    3    3   30 o   68.045   9.0352 11.39484 18.07040 
1 1 1    3    3   31 o  146.931   3.9681 0.5562744 7.936101 
1 1 1    3    3   32 o  138.552   4.2145 2.124573 8.428904 
1 1 1    3    3   33 o  175.445   3.2547 4.072235 6.509475 
1 1 1    3    3   34 o   76.329   8.4866 26.63267 16.97321 
1 1 1    3    3   35 o  146.332   3.7855 -6.001923 7.571095 
1 1 1    3    3   36 o  116.562   4.6736 -14.40736 9.347277 
1 1 1    3    3   37 o   67.235   8.4359 -3.682076 16.87177 
1 1 1    3    3   38 o   78.846   6.9982 6.294006 13.99643 
1 1 1    3    3   39 o   45.149   9.7515 -17.34381 19.50304 
1 1 1    3    4    0 o  935.848   9.7973 0.000000 0.000000 
1 1 1    3    4    1 o  559.756   2.9371 -1.611206 5.874277 
1 1 1    3    4    2 o  1060.13   9.6211 -4.400635 19.24214 
1 1 1    3    4    3 o  788.711   4.2711 -5.863159 8.542146 
1 1 1    3    4    4 o  572.401   3.0042 -2.148315 6.008472 
1 1 1    3    4    5 o  624.341   3.2737 -1.627319 6.547444 
1 1 1    3    4    6 o  632.351   3.3167 -6.121826 6.633312 
1 1 1    3    4    7 o  859.308   4.4974 4.840149 8.994773 
1 1 1    3    4    8 o  748.288   4.0567 -10.69879 8.113471 
1 1 1    3    4    9 o  883.798   4.7834 -6.950684 9.566733 
1 1 1    3    4   10 o  286.329   1.6358 -2.706543 3.271592 
1 1 1    3    4   11 o  174.347   1.4269 1.610611 2.853794 
1 1 1    3    4   12 o  408.122   2.2164 0.3530273 4.432900 
1 1 1    3    4   13 o   91.757   2.2434 9.658653 4.486849 
1 1 1    3    4   14 o  174.809   1.5945 0.2255249 3.188950 
1 1 1    3    4   15 o  147.449   1.7661 -2.790329 3.532212 
1 1 1    3    4   16 o  380.400   2.6511 -0.4678345 5.302153 
1 1 1    3    4   17 o  437.910   2.4176 -4.083954 4.835123 
1 1 1    3    4   18 o  356.558   2.2836 -1.055756 4.567109 
1 1 1    3    4   19 o  212.032   1.9882 8.467499 3.976372 
1 1 1    3    4   20 o  253.260   2.0621 4.043091 4.124265 
1 1 1    3    4   21 o  324.055   2.1755 -2.746826 4.350918 
1 1 1    3    4   22 o  167.125   2.8171 -0.1611328 5.634155 
1 1 1    3    4   23 o  170.323   3.8769 -5.870972 7.753770 
1 1 1    3    4   24 f  340.694   2.4981 -4.820709 4.996190 
1 1 1    3    4   25 o  299.775   2.7742 7.004211 5.548331 
1 1 1    3    4   26 o  264.784   3.5606 -2.999298 7.121259 
1 1 1    3    4   27 o  305.932   2.6334 11.37924 5.266809 
1 1 1    3    4   28 o  115.106   5.3548 8.286453 10.70954 
1 1 1    3    4   29 o  119.500   5.1541 3.949081 10.30813 
1 1 1    3    4   30 o  111.796   5.6128 26.26440 11.22569 
1 1 1    3    4   31 o   36.475   10.128 10.48322 20.25553 
1 1 1    3    4   32 o  133.722   4.3407 5.398804 8.681427 
1 1 1    3    4   33 o   30.119   9.5477 0.2431870E-02 19.09544 
1 1 1    3    4   34 o   82.167   6.6766 8.889870 13.35322 
1 1 1    3    4   35 o   96.437   5.6352 -2.806679 11.27046 
1 1 1    3    4   36 o   35.571   10.320 10.75849 20.63920 
1 1 1    3    4   37 o   39.564   9.7864 -20.08627 19.57288 
1 1 1    3    4   38 o   40.040   9.8298 20.74078 19.65965 
1 1 1    3    4   39 o   42.628   10.133 -1.229870 20.26578 
1 1 1    3    5    0 o  314.000   3.3317 0.000000 0.000000 
1 1 1    3    5    1 o  466.527   2.4527 -1.215485 4.905473 
1 1 1    3    5    2 o  395.171   2.4036 -1.064880 4.807256 
1 1 1    3    5    3 o  723.317   4.3698 0.3101196 8.739571 
1 1 1    3    5    4 o  578.055   3.0421 -8.093933 6.084192 
1 1 1    3    5    5 f  1415.53   8.5691 5.792114 17.13825 
1 1 1    3    5    6 o  1349.98   7.0641 -6.421021 14.12827 
1 1 1    3    5    7 o  290.839   1.8368 -3.966370 3.673525 
1 1 1    3    5    8 o  924.722   5.0052 -9.093018 10.01045 
1 1 1    3    5    9 o   85.327   2.0649 3.623856 4.129722 
1 1 1    3    5   10 o  197.007   1.3760 0.3441162 2.752068 
1 1 1    3    5   11 o  236.327   1.4980 -4.702469 2.996067 
1 1 1    3    5   12 o  478.960   2.5631 -1.665955 5.126258 
1 1 1    3    5   13 o  259.215   1.6291 -0.7019043E-01 3.258293 
1 1 1    3    5   14 o  327.545   2.0380 4.073120 4.075994 
1 1 1    3    5   15 o  135.695   1.8504 0.8268127 3.700814 
1 1 1    3    5   16 o  245.241   1.7127 2.833176 3.425498 
1 1 1    3    5   17 o  162.342   1.9186 -1.353378 3.837226 
1 1 1    3    5   18 o  505.519   2.7543 6.071655 5.508597 
1 1 1    3    5   19 o  334.362   2.2570 -2.062378 4.514049 
1 1 1    3    5   20 o  270.428   2.0430 -1.338837 4.086084 
1 1 1    3    5   21 o  602.539   3.2635 -0.9558716 6.527068 
1 1 1    3    5   22 o  312.090   2.2674 -3.217102 4.534744 
1 1 1    3    5   23 o  339.565   2.6516 3.696594 5.303161 
1 1 1    3    5   24 o  480.660   3.0377 13.62091 6.075466 
1 1 1    3    5   25 o   42.153   10.151 18.17820 20.30248 
1 1 1    3    5   26 o  261.836   3.6857 -41.52440 7.371481 
1 1 1    3    5   27 o  108.754   5.5186 -9.802521 11.03729 
1 1 1    3    5   28 o  199.925   3.3016 -3.111008 6.603148 
1 1 1    3    5   29 o  141.093   4.6562 -12.65863 9.312340 
1 1 1    3    5   30 o   35.507   10.235 -0.1159286 20.47068 
1 1 1    3    5   31 o  111.314   5.6937 -9.942078 11.38737 
1 1 1    3    5   32 o  165.639   3.4822 4.099487 6.964488 
1 1 1    3    5   33 o  117.147   4.6012 -6.719849 9.202332 
1 1 1    3    5   34 o  103.239   5.2943 -13.08873 10.58858 
1 1 1    3    5   35 o   43.920   10.199 14.31586 20.39739 
1 1 1    3    5   36 f   82.561   7.1226 7.175789 14.24517 
1 1 1    3    5   37 f   28.724   8.8249 15.23899 17.64989 
1 1 1    3    5   38 o   84.688   6.6038 1.448769 13.20752 
1 1 1    3    5   39 o   62.447   7.7839 13.09709 15.56786 
1 1 1    3    6    0 o  842.825   6.2498 0.000000 0.000000 
1 1 1    3    6    1 o  213.758   1.1839 -0.8777924 2.367854 
1 1 1    3    6    2 o  528.252   3.1978 0.7523804 6.395499 
1 1 1    3    6    3 o  265.047   1.8547 -2.613403 3.709356 
1 1 1    3    6    4 o  328.595   2.0341 1.419861 4.068153 
1 1 1    3    6    5 o  914.607   4.7974 4.672485 9.594876 
1 1 1    3    6    6 f  549.575   2.8913 -0.8582153 5.782673 
1 1 1    3    6    7 o  312.561   1.8396 9.515259 3.679151 
1 1 1    3    6    8 o  373.844   2.3135 -4.756134 4.626949 
1 1 1    3    6    9 o  244.369   1.5715 4.795700 3.143061 
1 1 1    3    6   10 o  333.904   1.9028 -1.570404 3.805639 
1 1 1    3    6   11 o  379.999   2.1316 1.680389 4.263190 
1 1 1    3    6   12 o   96.181   2.0093 -2.617043 4.018537 
1 1 1    3    6   13 o  628.364   3.3221 2.953918 6.644105 
1 1 1    3    6   14 o  339.029   1.9378 -0.8369141 3.875533 
1 1 1    3    6   15 o  398.890   2.2119 -3.969513 4.423883 
1 1 1    3    6   16 f  177.479   1.7472 -0.8600769 3.494335 
1 1 1    3    6   17 o  280.429   1.8440 2.388031 3.687982 
1 1 1    3    6   18 o  125.890   2.6097 3.781433 5.219347 
1 1 1    3    6   19 o  207.318   2.0831 0.1026306 4.166300 
1 1 1    3    6   20 o   65.562   5.5565 -5.155918 11.11292 
1 1 1    3    6   21 o  542.217   3.2294 -2.927917 6.458761 
1 1 1    3    6   22 o  265.015   2.5321 12.30908 5.064290 
1 1 1    3    6   23 o  286.566   2.4161 5.180878 4.832228 
1 1 1    3    6   24 x  ?   ?       ?      ? 
1 1 1    3    6   25 o  328.762   2.5596 0.6154785 5.119149 
1 1 1    3    6   26 o  283.296   2.7023 2.504333 5.404630 
1 1 1    3    6   27 o  115.904   5.4797 14.19183 10.95931 
1 1 1    3    6   28 o  195.435   3.3154 -8.406281 6.630811 
1 1 1    3    6   29 o   95.515   7.1815 0.7477570E-01 14.36305 
1 1 1    3    6   30 o  133.476   4.4869 1.205032 8.973746 
1 1 1    3    6   31 o  136.861   4.1725 -3.400223 8.345081 
1 1 1    3    6   32 o   62.084   8.9259 -17.34452 17.85177 
1 1 1    3    6   33 o  163.449   3.5548 11.10980 7.109535 
1 1 1    3    6   34 o  134.335   4.2417 7.068665 8.483428 
1 1 1    3    6   35 o  162.923   3.7502 18.47694 7.500433 
1 1 1    3    6   36 o   63.014   8.5915 -15.21290 17.18307 
1 1 1    3    6   37 o   93.287   6.0537 -16.57002 12.10739 
1 1 1    3    6   38 o   36.954   9.3497 -25.78114 18.69950 
1 1 1    3    6   39 o   31.155   9.2978 -8.078423 18.59551 
1 1 1    3    7    0 o  415.747   3.1026 0.000000 0.000000 
1 1 1    3    7    1 o  383.898   2.0940 2.461975 4.188012 
1 1 1    3    7    2 o  887.450   5.0209 -3.025574 10.04189 
1 1 1    3    7    3 o  394.996   2.4149 0.1740723 4.829761 
1 1 1    3    7    4 o  651.791   3.9434 -1.002747 7.886885 
1 1 1    3    7    5 o  460.518   2.4358 5.272034 4.871572 
1 1 1    3    7    6 o  406.603   2.1600 1.726959 4.319987 
1 1 1    3    7    7 o  275.949   1.6543 -9.739288 3.308629 
1 1 1    3    7    8 o  348.335   1.8854 1.463196 3.770746 
1 1 1    3    7    9 o  126.870   1.3539 0.7777939 2.707881 
1 1 1    3    7   10 o  400.093   2.2331 -4.046204 4.466106 
1 1 1    3    7   11 o  388.467   2.1776 -1.153931 4.355151 
1 1 1    3    7   12 o  426.609   2.3759 -2.799469 4.751837 
1 1 1    3    7   13 o  280.846   1.8066 7.516266 3.613161 
1 1 1    3    7   14 o  308.495   1.8231 -0.5205078 3.646117 
1 1 1    3    7   15 o  237.188   1.8534 1.731003 3.706708 
1 1 1    3    7   16 o  332.899   1.9780 -3.390564 3.955943 
1 1 1    3    7   17 o  582.206   3.1196 -9.257080 6.239226 
1 1 1    3    7   18 o   67.366   4.6994 2.173927 9.398746 
1 1 1    3    7   19 o  286.059   2.1792 -6.258667 4.358375 
1 1 1    3    7   20 o  393.406   2.3372 4.563354 4.674441 
1 1 1    3    7   21 o  123.997   3.4081 5.128471 6.816203 
1 1 1    3    7   22 o  317.311   3.9112      ?      ? 
1 1 1    3    7   23 o  488.461   2.8458 1.688019 5.691615 
1 1 1    3    7   24 o  315.231   2.5050 6.033997 5.010076 
1 1 1    3    7   25 o  251.766   2.9735 0.3771057 5.946980 
1 1 1    3    7   26 o  242.504   2.8403 1.529663 5.680529 
1 1 1    3    7   27 o  228.074   3.3463 3.102264 6.692550 
1 1 1    3    7   28 o   35.585   10.342 4.502678 20.68417 
1 1 1    3    7   29 o   82.244   7.0999 4.586868 14.19986 
1 1 1    3    7   30 o   32.097   9.3630 16.43615 18.72598 
1 1 1    3    7   31 o  115.936   4.7412 -2.238846 9.482444 
1 1 1    3    7   32 o   70.458   8.1159 17.44652 16.23173 
1 1 1    3    7   33 o  149.986   4.2161 15.56380 8.432226 
1 1 1    3    7   34 o   53.855   9.7114 -13.32724 19.42283 
1 1 1    3    7   35 o   40.372   10.235 -5.068966 20.47041 
1 1 1    3    7   36 o   60.443   9.2959 -8.552368 18.59189 
1 1 1    3    7   37 o   72.626   7.9226 15.05260 15.84523 
1 1 1    3    7   38 o   78.098   7.1618 19.37260 14.32366 
1 1 1    3    7   39 o   42.796   9.3764 0.5264206 18.75278 
1 1 1    3    8    0 o  319.910   2.7780 0.000000 0.000000 
1 1 1    3    8    1 f  548.304   2.9689 7.743225 5.937845 
1 1 1    3    8    2 o  352.017   1.8749 -0.6582031 3.749852 
1 1 1    3    8    3 o  600.927   3.1649 -1.485474 6.329895 
1 1 1    3    8    4 o  1288.19   6.7737 -7.059570 13.54740 
1 1 1    3    8    5 o   84.131   1.1012 -2.042763 2.202379 
1 1 1    3    8    6 o  220.112   1.2880 -2.108688 2.576039 
1 1 1    3    8    7 o  390.470   2.0880 -2.243073 4.175973 
1 1 1    3    8    8 o  200.324   1.6354 5.697174 3.270766 
1 1 1    3    8    9 o  269.166   1.6612 4.763397 3.322320 
1 1 1    3    8   10 o   67.012   2.2550 3.522934 4.509938 
1 1 1    3    8   11 o  386.444   2.1676 0.9264526 4.335289 
1 1 1    3    8   12 o  259.347   1.6316 4.459320 3.263159 
1 1 1    3    8   13 f  172.632   1.6127 1.378113 3.225387 
1 1 1    3    8   14 o  299.168   1.7967 -1.669464 3.593305 
1 1 1    3    8   15 o  200.285   1.6419 -1.638199 3.283773 
1 1 1    3    8   16 o  559.681   2.9994 -0.5474854 5.998743 
1 1 1    3    8   17 o  486.618   2.8913 3.708832 5.782592 
1 1 1    3    8   18 o  295.990   1.9759 -1.601685 3.951801 
1 1 1    3    8   19 o  348.539   2.1832 -0.8797913 4.366439 
1 1 1    3    8   20 o  502.781   3.0252 -2.271454 6.050352 
1 1 1    3    8   21 o  383.301   2.3887 3.320221 4.777480 
1 1 1    3    8   22 o  351.213   2.3836 -6.809204 4.767168 
1 1 1    3    8   23 o  172.491   3.6417 -5.107391 7.283340 
1 1 1    3    8   24 o  212.052   2.8202 -3.589920 5.640488 
1 1 1    3    8   25 o  358.631   3.7475 -48.98993 7.495029 
1 1 1    3    8   26 o  119.420   4.9285 2.046608 9.856980 
1 1 1    3    8   27 o   67.500   8.9868 9.020313 17.97359 
1 1 1    3    8   28 o  123.588   4.8657 -2.498131 9.731458 
1 1 1    3    8   29 o  104.939   5.5251 2.147362 11.05018 
1 1 1    3    8   30 o  183.818   3.2833 3.716812 6.566552 
1 1 1    3    8   31 o   86.621   6.9406 -1.227150 13.88128 
1 1 1    3    8   32 o   78.944   7.3502 26.14447 14.70048 
1 1 1    3    8   33 o   77.403   8.7031 -34.94376 17.40629 
1 1 1    3    8   34 o  162.785   3.4602 -4.250473 6.920335 
1 1 1    3    8   35 o   21.597   7.4351 -2.107025 14.87012 
1 1 1    3    8   36 o   31.013   9.4023 -4.144762 18.80463 
1 1 1    3    8   37 o  118.054   4.6349 12.55730 9.269734 
1 1 1    3    8   38 o   29.452   9.1712 7.508327 18.34250 
1 1 1    3    8   39 o   60.685   8.2172 39.01480 16.43444 
1 1 1    3    9    0 o  273.405   2.4184 0.000000 0.000000 
1 1 1    3    9    1 o  264.859   1.6640 -2.123627 3.327925 
1 1 1    3    9    2 o  789.248   4.1398 -6.885132 8.279670 
1 1 1    3    9    3 o  531.886   2.8033 2.914185 5.606532 
1 1 1    3    9    4 o  327.479   1.7705 -2.801636 3.541070 
1 1 1    3    9    5 o  151.465   1.0679 2.042313 2.135730 
1 1 1    3    9    6 o  476.584   2.5222 1.251251 5.044327 
1 1 1    3    9    7 o  358.951   1.9381 2.728455 3.876244 
1 1 1    3    9    8 o  263.506   1.6263 8.824066 3.252566 
1 1 1    3    9    9 o  374.594   2.0256 3.962250 4.051158 
1 1 1    3    9   10 o  328.988   1.8895 3.058228 3.778950 
1 1 1    3    9   11 o  291.603   1.7403 2.067810 3.480658 
1 1 1    3    9   12 o  392.973   2.2164 -2.347046 4.432733 
1 1 1    3    9   13 o  301.698   1.9073 -2.872223 3.814638 
1 1 1    3    9   14 o   47.367   4.2582 -1.938499 8.516380 
1 1 1    3    9   15 o  112.051   2.6367 -6.265846 5.273416 
1 1 1    3    9   16 o  566.018   3.0355 10.21539 6.070956 
1 1 1    3    9   17 o  717.767   3.8034 8.858887 7.606746 
1 1 1    3    9   18 f  166.258   2.2361 6.902939 4.472139 
1 1 1    3    9   19 f  593.896   3.2061 -0.8020630 6.412229 
1 1 1    3    9   20 o  339.892   2.2031 -1.069214 4.406191 
1 1 1    3    9   21 o  333.470   2.5551 -4.182037 5.110149 
1 1 1    3    9   22 o  383.557   2.7173 5.449829 5.434607 
1 1 1    3    9   23 o  286.856   3.6268 25.50052 7.253531 
1 1 1    3    9   24 f   95.785   5.7616 10.49817 11.52328 
1 1 1    3    9   25 o  304.343   2.6362 -3.985352 5.272309 
1 1 1    3    9   26 o  201.700   3.1666 2.429291 6.333208 
1 1 1    3    9   27 o   99.159   6.0571 -18.79831 12.11421 
1 1 1    3    9   28 o  182.888   3.3963 -1.137146 6.792668 
1 1 1    3    9   29 o   58.122   10.059 5.330978 20.11784 
1 1 1    3    9   30 o  222.432   2.8402 -0.9933472 5.680406 
1 1 1    3    9   31 o  102.121   5.3250 -5.165413 10.64992 
1 1 1    3    9   32 o   71.051   7.5537 -1.868790 15.10741 
1 1 1    3    9   33 o   44.067   10.118 -23.43504 20.23607 
1 1 1    3    9   34 o   57.621   9.5226 -0.2658157 19.04516 
1 1 1    3    9   35 o   97.253   6.1881 -0.7651443 12.37617 
1 1 1    3    9   36 o  119.180   4.7269 -0.7990646 9.453715 
1 1 1    3    9   37 o   32.498   9.7224 -7.660004 19.44484 
1 1 1    3    9   38 o   37.872   9.9580 6.977642 19.91599 
1 1 1    3   10    0 o   80.721   2.0875 0.000000 0.000000 
1 1 1    3   10    1 o  225.250   1.3717 0.8346710 2.743460 
1 1 1    3   10    2 o  212.518   1.3296 -2.434738 2.659178 
1 1 1    3   10    3 o  137.078   1.0642 -2.079834 2.128362 
1 1 1    3   10    4 o  403.828   2.1519 1.552277 4.303901 
1 1 1    3   10    5 o  161.275   1.1139 -6.652008 2.227836 
1 1 1    3   10    6 o  355.229   2.0638 1.287079 4.127687 
1 1 1    3   10    7 o  125.207   1.1484 0.3204956 2.296771 
1 1 1    3   10    8 o  229.315   1.5776 5.495789 3.155151 
1 1 1    3   10    9 o  211.977   1.3593 4.483734 2.718626 
1 1 1    3   10   10 o  466.999   2.5756 0.3867493 5.151184 
1 1 1    3   10   11 o  608.271   3.4739 4.947449 6.947864 
1 1 1    3   10   12 o  243.743   1.5933 5.985962 3.186599 
1 1 1    3   10   13 o  196.805   1.8432 7.731918 3.686348 
1 1 1    3   10   14 o  166.820   1.6118 7.573074 3.223699 
1 1 1    3   10   15 o  247.899   1.7170 2.756943 3.433919 
1 1 1    3   10   16 o  191.528   1.7996 2.751083 3.599103 
1 1 1    3   10   17 o  395.312   2.2874 -3.053680 4.574745 
1 1 1    3   10   18 o  229.190   2.0092 -2.288162 4.018498 
1 1 1    3   10   19 o  213.688   2.1298 3.877701 4.259527 
1 1 1    3   10   20 o  121.258   3.4920 3.325180 6.984086 
1 1 1    3   10   21 o  404.205   3.1801 22.32364 6.360141 
1 1 1    3   10   22 o  255.245   2.5983 -1.494202 5.196518 
1 1 1    3   10   23 o  204.679   2.8470 -3.628693 5.693979 
1 1 1    3   10   24 o  369.375   2.5847 0.3150330 5.169478 
1 1 1    3   10   25 o  248.471   2.7172 8.273575 5.434479 
1 1 1    3   10   26 o   76.737   8.4340 5.088654 16.86810 
1 1 1    3   10   27 f   40.645   10.616 6.948059 21.23228 
1 1 1    3   10   28 o  123.407   4.8533 -3.479828 9.706617 
1 1 1    3   10   29 o   26.692   8.7094 7.209038 17.41874 
1 1 1    3   10   30 o   83.613   6.3920 -8.428246 12.78391 
1 1 1    3   10   31 o  123.709   4.4073 -7.678543 8.814575 
1 1 1    3   10   32 o   49.140   10.430 -1.227058 20.86081 
1 1 1    3   10   33 o  164.360   3.5861 -6.041992 7.172152 
1 1 1    3   10   34 o   98.182   5.4516 2.925224 10.90318 
1 1 1    3   10   35 o   40.755   11.285 -7.703907 22.57058 
1 1 1    3   10   36 o   24.931   8.2363 9.630671 16.47260 
1 1 1    3   10   37 f   40.313   10.123 -13.29362 20.24636 
1 1 1    3   10   38 o   35.011   9.4205 -3.324833 18.84092 
1 1 1    3   11    0 o   31.707   6.1172 0.000000 0.000000 
1 1 1    3   11    1 o  175.790   1.1667 1.329926 2.333319 
1 1 1    3   11    2 o  349.788   1.9359 1.115540 3.871708 
1 1 1    3   11    3 o  525.007   2.7701 1.528931 5.540192 
1 1 1    3   11    4 o  228.815   1.3413 -1.736450 2.682539 
1 1 1    3   11    5 o  378.573   2.1929 -6.589539 4.385732 
1 1 1    3   11    6 o  378.370   2.0393 -2.845734 4.078530 
1 1 1    3   11    7 o  363.744   1.9685 1.230347 3.937040 
1 1 1    3   11    8 o  221.386   1.3689 2.940247 2.737779 
1 1 1    3   11    9 o  297.979   1.6857 -1.496002 3.371364 
1 1 1    3   11   10 o  355.890   2.1099 2.473694 4.219811 
1 1 1    3   11   11 o  159.087   1.9643 4.565414 3.928503 
1 1 1    3   11   12 o  149.396   1.4965 6.455093 2.992940 
1 1 1    3   11   13 o  484.687   2.6823 5.599274 5.364505 
1 1 1    3   11   14 o  271.828   1.7724 -0.3244019 3.544865 
1 1 1    3   11   15 o  495.538   2.7577 10.12247 5.515472 
1 1 1    3   11   16 o  434.032   2.4961 -5.971375 4.992280 
1 1 1    3   11   17 f  425.228   2.4713 5.971069 4.942551 
1 1 1    3   11   18 o  240.071   1.9912 -5.285782 3.982421 
1 1 1    3   11   19 o  301.901   2.1047 5.693726 4.209413 
1 1 1    3   11   20 o   19.202   6.7232 3.781107 13.44644 
1 1 1    3   11   21 o  405.938   2.5026 2.853851 5.005173 
1 1 1    3   11   22 o  262.847   3.9908 -29.18008 7.981670 
1 1 1    3   11   23 o  129.292   4.0150 9.101471 8.029930 
1 1 1    3   11   24 o  194.115   4.5267 1.943497 9.053365 
1 1 1    3   11   25 o  265.722   2.5979 -5.252991 5.195705 
1 1 1    3   11   26 o  128.327   4.4659 8.654251 8.931774 
1 1 1    3   11   27 o  117.089   4.8366 -8.698822 9.673198 
1 1 1    3   11   28 o   50.512   10.577 -6.003937 21.15397 
1 1 1    3   11   29 o   43.007   10.402 -5.132946 20.80429 
1 1 1    3   11   30 o  140.724   3.9580 -13.28807 7.916075 
1 1 1    3   11   31 o   66.878   7.8165 -0.1934891 15.63299 
1 1 1    3   11   32 o  160.257   3.5100 -0.1879883 7.019996 
1 1 1    3   11   33 o   95.615   5.6757 7.189362 11.35136 
1 1 1    3   11   34 o   29.671   9.1783 -7.599085 18.35653 
1 1 1    3   11   35 o   58.532   9.0703 23.59895 18.14059 
1 1 1    3   11   36 o   58.913   9.3257 2.176891 18.65134 
1 1 1    3   11   37 o   63.910   8.5649 0.6297188 17.12975 
1 1 1    3   11   38 o   29.536   8.6892 5.867403 17.37845 
1 1 1    3   12    0 o   79.414   2.0186 0.000000 0.000000 
1 1 1    3   12    1 o  246.487   1.5010 -1.308762 3.002081 
1 1 1    3   12    2 o  276.241   1.5796 -1.495148 3.159283 
1 1 1    3   12    3 o  183.107   1.2401 -3.363281 2.480185 
1 1 1    3   12    4 o  181.478   1.2079 0.8195496 2.415757 
1 1 1    3   12    5 o   86.128   1.2846 -3.164146 2.569210 
1 1 1    3   12    6 o  373.042   2.0160 1.088898 4.032091 
1 1 1    3   12    7 o  481.626   2.5602 -3.519287 5.120402 
1 1 1    3   12    8 o  291.425   2.0456 4.193695 4.091292 
1 1 1    3   12    9 o  243.338   1.6411 -0.2523499 3.282284 
1 1 1    3   12   10 o  435.735   2.3433 3.331177 4.686592 
1 1 1    3   12   11 o  243.050   1.6543 4.682373 3.308635 
1 1 1    3   12   12 o  352.997   2.0446 1.895203 4.089118 
1 1 1    3   12   13 o  458.815   2.5700 -3.612274 5.139995 
1 1 1    3   12   14 o  298.866   1.8835 -2.915466 3.766926 
1 1 1    3   12   15 o  290.292   1.9108 2.262024 3.821565 
1 1 1    3   12   16 o  403.028   2.3623 1.428650 4.724514 
1 1 1    3   12   17 o  260.779   1.9496 1.648132 3.899207 
1 1 1    3   12   18 o  536.816   3.1516 8.323364 6.303202 
1 1 1    3   12   19 o   22.962   7.3186 -9.549349 14.63729 
1 1 1    3   12   20 o  135.084   3.4765 -9.769699 6.952902 
1 1 1    3   12   21 o  179.918   3.3154 -4.220810 6.630702 
1 1 1    3   12   22 o  498.483   2.8875 3.885406 5.774912 
1 1 1    3   12   23 o  343.387   2.7449 6.934387 5.489716 
1 1 1    3   12   24 o  463.599   2.8225 6.415344 5.645028 
1 1 1    3   12   25 o  165.373   3.6030 -5.899994 7.205903 
1 1 1    3   12   26 o   34.221   9.8771 6.605381 19.75419 
1 1 1    3   12   27 o  151.683   3.8458 -12.22200 7.691525 
1 1 1    3   12   28 o  229.875   2.8078 7.904968 5.615631 
1 1 1    3   12   29 o  128.114   4.2531 -9.658264 8.506180 
1 1 1    3   12   30 o  191.706   3.0546 6.880432 6.109224 
1 1 1    3   12   31 f   99.337   5.3867 8.145027 10.77332 
1 1 1    3   12   32 o   45.243   10.308 -0.3102455 20.61656 
1 1 1    3   12   33 o   34.487   9.8193 1.130581 19.63870 
1 1 1    3   12   34 o   42.165   9.4902 23.77805 18.98038 
1 1 1    3   12   35 o  144.807   3.8447 -2.967834 7.689451 
1 1 1    3   12   36 o   65.844   8.7875 -15.72216 17.57505 
1 1 1    3   12   37 o   42.347   9.9271 4.153282 19.85414 
1 1 1    3   12   38 o   26.543   8.3560 17.43131 16.71210 
1 1 1    3   13    0 o  469.793   3.5133 0.000000 0.000000 
1 1 1    3   13    1 o   80.082   1.6097 0.5733566 3.219463 
1 1 1    3   13    2 o  210.317   1.3262 0.6531372 2.652411 
1 1 1    3   13    3 o  450.772   2.4692 0.3489075 4.938374 
1 1 1    3   13    4 o  501.086   2.7330 -2.628387 5.466095 
1 1 1    3   13    5 o  303.185   1.6916 0.5645752 3.383247 
1 1 1    3   13    6 o  324.678   1.7945 -2.515564 3.589069 
1 1 1    3   13    7 f  272.934   1.9181 -5.006042 3.836121 
1 1 1    3   13    8 o  402.790   2.1737 -0.5389099 4.347414 
1 1 1    3   13    9 o  287.158   1.8750 10.82788 3.750049 
1 1 1    3   13   10 o   95.689   1.5727 2.514626 3.145481 
1 1 1    3   13   11 o  232.017   1.5561 6.372589 3.112126 
1 1 1    3   13   12 o  515.326   2.8493 0.4124756 5.698621 
1 1 1    3   13   13 o  288.929   1.8408 -3.021759 3.681692 
1 1 1    3   13   14 o  404.316   2.3343 4.947876 4.668509 
1 1 1    3   13   15 o  231.683   1.7989 2.425552 3.597901 
1 1 1    3   13   16 o   92.390   3.6727 0.3348923 7.345428 
1 1 1    3   13   17 o  385.034   2.3187 3.364655 4.637446 
1 1 1    3   13   18 o  282.317   2.0521 0.8448792 4.104174 
1 1 1    3   13   19 o  274.514   3.8051      ?      ? 
1 1 1    3   13   20 o   70.026   5.9749 3.153282 11.94986 
1 1 1    3   13   21 o  262.008   2.7723 2.041809 5.544672 
1 1 1    3   13   22 o  148.098   3.5116 -3.016388 7.023136 
1 1 1    3   13   23 o  274.863   3.1745 -8.789886 6.348975 
1 1 1    3   13   24 o  100.941   5.2598 -3.242332 10.51965 
1 1 1    3   13   25 o  192.949   3.1492 3.122910 6.298372 
1 1 1    3   13   26 o  273.348   2.6145 -3.540894 5.228946 
1 1 1    3   13   27 f  126.129   4.5788 -13.45549 9.157701 
1 1 1    3   13   28 o  155.850   3.5654 -7.209778 7.130720 
1 1 1    3   13   29 o  117.721   4.5103 -0.7349548 9.020597 
1 1 1    3   13   30 o  133.425   3.9487 5.807907 7.897346 
1 1 1    3   13   31 x  ?   ?       ?      ? 
1 1 1    3   13   32 o   45.381   9.6685 21.57870 19.33692 
1 1 1    3   13   33 o  108.487   4.9572 -6.766762 9.914308 
1 1 1    3   13   34 o   61.790   9.1298 3.392414 18.25953 
1 1 1    3   13   35 o   70.087   8.0575 12.92227 16.11507 
1 1 1    3   13   36 o  100.115   5.4711 12.27308 10.94226 
1 1 1    3   13   37 o   40.970   9.6740 4.347588 19.34809 
1 1 1    3   14    0 o   59.937   3.0602 0.000000 0.000000 
1 1 1    3   14    1 o  393.468   2.1746 1.602539 4.349174 
1 1 1    3   14    2 o  686.250   3.7215 -3.766968 7.442950 
1 1 1    3   14    3 o  294.458   1.6827 -2.100647 3.365486 
1 1 1    3   14    4 o  313.232   1.7762 -1.001007 3.552307 
1 1 1    3   14    5 o  302.817   1.8199 -0.9644775 3.639850 
1 1 1    3   14    6 o  235.631   1.5111 -3.952560 3.022141 
1 1 1    3   14    7 o  458.476   2.4507 -5.956573 4.901319 
1 1 1    3   14    8 o  168.145   1.3009 -2.469284 2.601774 
1 1 1    3   14    9 o  126.317   1.3549 0.8074951 2.709881 
1 1 1    3   14   10 o  320.166   2.2850 -1.469147 4.570043 
1 1 1    3   14   11 o  165.371   1.5055 2.656113 3.011049 
1 1 1    3   14   12 o  363.835   2.1310 0.5371399 4.261945 
1 1 1    3   14   13 o  512.747   2.8530 11.41486 5.705937 
1 1 1    3   14   14 o  570.298   3.1646 2.761719 6.329196 
1 1 1    3   14   15 o  582.078   3.2239 0.8866577 6.447770 
1 1 1    3   14   16 o  250.424   1.9172 -4.324661 3.834316 
1 1 1    3   14   17 o  332.498   2.1522 8.836670 4.304351 
1 1 1    3   14   18 o  308.384   3.1778 -8.355591 6.355557 
1 1 1    3   14   19 o  240.188   2.4047 -6.464523 4.809331 
1 1 1    3   14   20 o  453.128   3.3988 54.19348 6.797519 
1 1 1    3   14   21 o  439.266   2.6805 -0.2865906 5.360945 
1 1 1    3   14   22 o  553.814   4.4249 6.646912 8.849795 
1 1 1    3   14   23 o  293.495   2.6484 -3.045685 5.296890 
1 1 1    3   14   24 o  231.760   2.9719 6.967865 5.943793 
1 1 1    3   14   25 o   49.092   10.213 2.523018 20.42676 
1 1 1    3   14   26 f  228.834   2.7436 8.095673 5.487258 
1 1 1    3   14   27 o   98.283   5.4434 -4.001793 10.88679 
1 1 1    3   14   28 o   80.140   6.8496 -22.94045 13.69928 
1 1 1    3   14   29 o  195.493   3.0859 1.905243 6.171809 
1 1 1    3   14   30 o   56.696   9.1443 1.456657 18.28858 
1 1 1    3   14   31 o   65.446   8.7242 -2.855034 17.44844 
1 1 1    3   14   32 o   98.369   5.3622 -0.7966003 10.72449 
1 1 1    3   14   33 o   68.401   8.0000 -14.42548 15.99999 
1 1 1    3   14   34 o   29.193   9.0761 -7.131117 18.15213 
1 1 1    3   14   35 o   40.732   9.8484 19.11452 19.69683 
1 1 1    3   14   36 o   40.534   10.010 -13.58939 20.01998 
1 1 1    3   14   37 o   37.375   9.4514 -8.290394 18.90283 
1 1 1    3   15    0 o  309.259   2.4105 0.000000 0.000000 
1 1 1    3   15    1 o  108.669   1.4031 -1.055145 2.806235 
1 1 1    3   15    2 o   51.446   2.8276 -11.69703 5.655230 
1 1 1    3   15    3 o   98.032   1.5002 8.972084 3.000320 
1 1 1    3   15    4 o   93.711   1.5058 -1.305717 3.011682 
1 1 1    3   15    5 o  143.316   1.2418 -1.138901 2.483611 
1 1 1    3   15    6 o   75.419   1.7083 0.6005859 3.416593 
1 1 1    3   15    7 o  262.386   1.5686 -3.593109 3.137136 
1 1 1    3   15    8 o  421.891   2.2889 1.201569 4.577834 
1 1 1    3   15    9 o  168.100   1.9290 14.54015 3.857915 
1 1 1    3   15   10 o  179.090   1.4363 3.450775 2.872611 
1 1 1    3   15   11 o  543.237   3.1179 6.970337 6.235785 
1 1 1    3   15   12 o  401.522   2.3316 5.947113 4.663299 
1 1 1    3   15   13 o  250.284   1.7831 2.153320 3.566143 
1 1 1    3   15   14 o  395.598   2.3315 2.916016 4.663025 
1 1 1    3   15   15 o  458.894   2.6250 0.2212524 5.250004 
1 1 1    3   15   16 o   31.065   7.2387 -15.72199 14.47748 
1 1 1    3   15   17 o  146.316   2.8344 -4.354187 5.668822 
1 1 1    3   15   18 o  320.493   2.7521 -0.3288269 5.504126 
1 1 1    3   15   19 o  344.144   2.3596 2.282745 4.719165 
1 1 1    3   15   20 o  124.063   3.5101 1.034355 7.020170 
1 1 1    3   15   21 o   33.273   8.7768 -20.60385 17.55365 
1 1 1    3   15   22 o  198.686   2.6923 -13.23149 5.384639 
1 1 1    3   15   23 o  253.956   2.4901 2.045944 4.980217 
1 1 1    3   15   24 o  245.864   2.5432 7.500214 5.086376 
1 1 1    3   15   25 o  135.846   4.1538 5.118286 8.307606 
1 1 1    3   15   26 o   40.005   10.288 1.074642 20.57541 
1 1 1    3   15   27 o   44.751   9.9647 -3.521080 19.92939 
1 1 1    3   15   28 o   66.611   7.8084 -5.126335 15.61679 
1 1 1    3   15   29 o  147.058   3.4519 -8.224701 6.903875 
1 1 1    3   15   30 o  112.228   4.6153 5.096756 9.230554 
1 1 1    3   15   31 o  148.237   3.7230 13.42500 7.445979 
1 1 1    3   15   32 o  104.485   5.0318 -5.022919 10.06369 
1 1 1    3   15   33 o   47.193   9.7167 18.51004 19.43342 
1 1 1    3   15   34 o   46.334   9.0288 -33.34249 18.05757 
1 1 1    3   15   35 o   58.177   9.5177 -13.45775 19.03536 
1 1 1    3   15   36 o   31.625   9.2525 2.336582 18.50490 
1 1 1    3   16    0 o   62.508   4.0849 0.000000 0.000000 
1 1 1    3   16    1 o  371.482   2.0039 -4.732056 4.007816 
1 1 1    3   16    2 o  232.511   1.5068 -2.644592 3.013632 
1 1 1    3   16    3 f  224.778   1.4348 -5.410736 2.869691 
1 1 1    3   16    4 o  131.298   1.3557 -0.3342438 2.711344 
1 1 1    3   16    5 o  312.689   1.7954 -5.547333 3.590768 
1 1 1    3   16    6 o  449.289   2.5875 -0.1100464 5.174985 
1 1 1    3   16    7 o  321.836   2.1490 6.301117 4.298083 
1 1 1    3   16    8 o  348.555   1.9919 -8.604218 3.983889 
1 1 1    3   16    9 o  104.326   1.7718 5.879768 3.543608 
1 1 1    3   16   10 o  174.386   1.5296 1.728546 3.059181 
1 1 1    3   16   11 o  207.372   1.6074 -4.070786 3.214847 
1 1 1    3   16   12 o  397.809   2.3283 -1.605438 4.656590 
1 1 1    3   16   13 o  160.292   1.8373 0.5658417 3.674639 
1 1 1    3   16   14 o  392.711   2.3359 3.612335 4.671793 
1 1 1    3   16   15 o  216.235   2.1999 -0.9426422 4.399866 
1 1 1    3   16   16 o  194.240   2.3591 -8.882614 4.718236 
1 1 1    3   16   17 o  164.638   2.5687 -6.416275 5.137321 
1 1 1    3   16   18 f  126.397   3.9886 -7.421211 7.977105 
1 1 1    3   16   19 o  416.187   2.5875 -0.5581970 5.174975 
1 1 1    3   16   20 o  167.997   2.9161 -2.692383 5.832197 
1 1 1    3   16   21 o   22.888   7.6342 1.661617 15.26844 
1 1 1    3   16   22 o  466.122   2.8267 4.641083 5.653496 
1 1 1    3   16   23 o   44.911   9.7701 -11.11629 19.54012 
1 1 1    3   16   24 o   57.300   8.6851 -15.18221 17.37030 
1 1 1    3   16   25 o  258.128   2.4730 -2.951355 4.945952 
1 1 1    3   16   26 o   59.469   8.5157 0.6372375 17.03149 
1 1 1    3   16   27 o  105.065   5.0112 4.213646 10.02244 
1 1 1    3   16   28 o  149.211   3.4987 2.123779 6.997311 
1 1 1    3   16   29 o   26.423   8.4506 -6.063175 16.90123 
1 1 1    3   16   30 o   53.484   9.9529 6.174194 19.90588 
1 1 1    3   16   31 o  143.563   3.6803 5.893875 7.360518 
1 1 1    3   16   32 o  126.212   4.1223 5.868309 8.244635 
1 1 1    3   16   33 o  104.585   5.0045 -4.374611 10.00892 
1 1 1    3   16   34 o   26.079   8.3766 13.51130 16.75326 
1 1 1    3   16   35 o   37.948   9.0143 -26.72526 18.02859 
1 1 1    3   16   36 o   25.607   8.1142 -7.328056 16.22843 
1 1 1    3   17    0 o  240.978   2.0676 0.000000 0.000000 
1 1 1    3   17    1 o  128.689   1.4085 2.762543 2.816909 
1 1 1    3   17    2 o  474.245   2.6100 0.7560730 5.220029 
1 1 1    3   17    3 o  482.183   2.6504 -0.6372375 5.300781 
1 1 1    3   17    4 o  294.056   1.8085 -3.021088 3.617022 
1 1 1    3   17    5 o  332.167   2.2009 -10.44742 4.401727 
1 1 1    3   17    6 o  280.853   1.7058 -1.236359 3.411656 
1 1 1    3   17    7 o   22.518   5.8862 12.26973 11.77245 
1 1 1    3   17    8 o   60.972   2.9139 2.752815 5.827714 
1 1 1    3   17    9 f  536.140   2.9472 -7.062134 5.894397 
1 1 1    3   17   10 o  472.503   2.7513 1.989563 5.502633 
1 1 1    3   17   11 o  357.831   2.0721 -0.9541626 4.144175 
1 1 1    3   17   12 o  220.484   1.7447 4.678192 3.489488 
1 1 1    3   17   13 o  467.584   2.6711 1.710999 5.342213 
1 1 1    3   17   14 o  342.479   2.1778 -0.7994080 4.355535 
1 1 1    3   17   15 o  384.970   2.3953 -14.23163 4.790660 
1 1 1    3   17   16 x  ?   ?       ?      ? 
1 1 1    3   17   17 o  256.839   2.2926 -7.267059 4.585177 
1 1 1    3   17   18 o  160.266   2.8109 -8.614563 5.621830 
1 1 1    3   17   19 o  181.754   2.6196 -0.8103333 5.239224 
1 1 1    3   17   20 o   81.458   6.7055 -54.10820 13.41107 
1 1 1    3   17   21 o  239.179   2.4104 -0.5049438 4.820744 
1 1 1    3   17   22 o  120.045   5.5069 26.51878 11.01376 
1 1 1    3   17   23 o   81.737   5.7772 -13.59109 11.55437 
1 1 1    3   17   24 o  265.015   2.4889 2.638336 4.977834 
1 1 1    3   17   25 o   85.481   6.0642 17.00103 12.12845 
1 1 1    3   17   26 o   86.061   5.4387 -13.81577 10.87733 
1 1 1    3   17   27 o  113.114   4.0919 -8.478836 8.183764 
1 1 1    3   17   28 o   74.517   6.3600 5.444901 12.72004 
1 1 1    3   17   29 o  141.697   4.0043 -4.179764 8.008536 
1 1 1    3   17   30 o  216.700   2.7756 -2.281586 5.551232 
1 1 1    3   17   31 o   52.349   8.5695 -34.69355 17.13909 
1 1 1    3   17   32 o   50.358   9.9280 -2.991798 19.85599 
1 1 1    3   17   33 o   88.734   5.8228 0.5843353E-01 11.64550 
1 1 1    3   17   34 o   40.406   10.221 -9.779377 20.44147 
1 1 1    3   17   35 o   25.569   8.3306 -2.934088 16.66120 
1 1 1    3   17   36 x  ?   ?       ?      ? 
1 1 1    3   18    0 o  375.857   2.9079 0.000000 0.000000 
1 1 1    3   18    1 o  539.264   2.8578 -13.51471 5.715670 
1 1 1    3   18    2 o   97.073   2.0464 0.7955017 4.092878 
1 1 1    3   18    3 o  101.730   3.0483 1.444092 6.096692 
1 1 1    3   18    4 o  188.958   1.7093 -12.72670 3.418613 
1 1 1    3   18    5 o  198.640   2.4534      ?      ? 
1 1 1    3   18    6 o  328.389   2.0143 -7.985504 4.028644 
1 1 1    3   18    7 o  396.571   2.2546 -0.7723999 4.509212 
1 1 1    3   18    8 o  410.016   2.3274 4.580292 4.654733 
1 1 1    3   18    9 o  788.353   4.2913 4.351440 8.582566 
1 1 1    3   18   10 f  655.666   3.5892 3.723511 7.178374 
1 1 1    3   18   11 o  105.029   2.2947 -3.374077 4.589474 
1 1 1    3   18   12 f  229.638   1.8405 -4.760651 3.680993 
1 1 1    3   18   13 o  589.276   3.2902 -2.176147 6.580476 
1 1 1    3   18   14 x  ?   ?       ?      ? 
1 1 1    3   18   15 o  107.226   3.2238 -9.865341 6.447680 
1 1 1    3   18   16 o  212.576   2.2847 -4.025040 4.569390 
1 1 1    3   18   17 o   22.856   7.3619 -4.515221 14.72375 
1 1 1    3   18   18 o  132.529   3.1481 1.154633 6.296226 
1 1 1    3   18   19 o  147.184   4.1374 15.25565 8.274779 
1 1 1    3   18   20 o  155.985   3.0227 -4.689972 6.045311 
1 1 1    3   18   21 o  195.192   2.8589 8.217911 5.717761 
1 1 1    3   18   22 o  174.047   2.9344 -6.092941 5.868834 
1 1 1    3   18   23 o   74.622   6.2856 8.369850 12.57129 
1 1 1    3   18   24 o  246.066   2.4832 -2.233994 4.966459 
1 1 1    3   18   25 o  160.881   3.0435 0.6678314 6.086935 
1 1 1    3   18   26 o   35.741   9.4339 1.377605 18.86789 
1 1 1    3   18   27 o   97.899   4.6458 -2.127815 9.291565 
1 1 1    3   18   28 o   31.172   9.1710 -8.779325 18.34206 
1 1 1    3   18   29 o  196.910   2.7147 -1.326172 5.429435 
1 1 1    3   18   30 o   38.944   9.5691 -12.22024 19.13829 
1 1 1    3   18   31 o   84.792   5.8030 1.318459 11.60592 
1 1 1    3   18   32 o   47.781   9.2556 -20.85947 18.51122 
1 1 1    3   18   33 o   57.461   9.0313 24.95679 18.06259 
1 1 1    3   18   34 o  100.528   5.5579 -9.445908 11.11582 
1 1 1    3   18   35 o   35.034   9.3571 2.325634 18.71417 
1 1 1    3   19    0 o  313.192   2.5724 0.000000 0.000000 
1 1 1    3   19    1 o  329.799   1.8841 -0.2600098E-01 3.768149 
1 1 1    3   19    2 f  445.802   2.4086 10.76889 4.817148 
1 1 1    3   19    3 o  159.245   1.9483 -0.2518158 3.896541 
1 1 1    3   19    4 o  241.635   1.7185 0.4570007E-01 3.437050 
1 1 1    3   19    5 o  469.553   2.7419 -1.412170 5.483723 
1 1 1    3   19    6 o  515.190   2.8527 3.557861 5.705410 
1 1 1    3   19    7 o  366.977   2.1368 -0.5709839E-01 4.273695 
1 1 1    3   19    8 o  271.615   1.7819 4.673889 3.563787 
1 1 1    3   19    9 o  213.677   1.6792 -0.4347229 3.358498 
1 1 1    3   19   10 o   82.818   2.8770 6.379982 5.753903 
1 1 1    3   19   11 o  190.410   1.7882 -3.162659 3.576367 
1 1 1    3   19   12 o  460.183   3.2978 25.42838 6.595656 
1 1 1    3   19   13 o  338.806   2.5074 -25.17416 5.014789 
1 1 1    3   19   14 o  191.962   2.1730 0.4457855 4.345922 
1 1 1    3   19   15 o  274.226   3.0747 93.94250 6.149498 
1 1 1    3   19   16 o  118.425   3.1504 0.1113129 6.300768 
1 1 1    3   19   17 o   45.673   7.8525 -28.97269 15.70493 
1 1 1    3   19   18 o  128.957   3.8886 -10.84485 7.777181 
1 1 1    3   19   19 o  102.516   4.0351 -6.293587 8.070150 
1 1 1    3   19   20 o  135.494   3.5706 5.215027 7.141128 
1 1 1    3   19   21 o  183.576   2.7295 -1.075607 5.459000 
1 1 1    3   19   22 o  126.597   3.6404 1.886971 7.280779 
1 1 1    3   19   23 o  107.958   4.3240 9.615677 8.647961 
1 1 1    3   19   24 o   71.295   6.4546 3.021324 12.90912 
1 1 1    3   19   25 o  239.605   2.3889 0.8729553 4.777787 
1 1 1    3   19   26 o   69.179   6.6924 -1.617775 13.38475 
1 1 1    3   19   27 o  195.761   2.6057 -0.7662506 5.211381 
1 1 1    3   19   28 o  195.394   3.6632 -7.956497 7.326382 
1 1 1    3   19   29 f   38.200   9.2974 11.83632 18.59472 
1 1 1    3   19   30 o   80.268   6.0184 -4.286278 12.03672 
1 1 1    3   19   31 o   52.754   8.5857 -27.29404 17.17138 
1 1 1    3   19   32 o   62.120   7.9750 -16.44405 15.94994 
1 1 1    3   19   33 o  112.658   4.5592 10.28991 9.118375 
1 1 1    3   19   34 o   35.329   9.2952 -26.90428 18.59039 
1 1 1    3   20    0 o  289.776   3.0818 0.000000 0.000000 
1 1 1    3   20    1 o  228.452   1.7754 0.3582764E-01 3.550771 
1 1 1    3   20    2 o  309.862   2.1308 -1.605164 4.261518 
1 1 1    3   20    3 o  672.142   3.6731 1.796143 7.346266 
1 1 1    3   20    4 o  211.852   1.7918 5.049377 3.583535 
1 1 1    3   20    5 o  247.360   1.7388 1.607727 3.477597 
1 1 1    3   20    6 o  135.879   2.0171 -3.755310 4.034152 
1 1 1    3   20    7 o  277.320   1.8283 0.8553162 3.656610 
1 1 1    3   20    8 o  235.999   1.7910 1.237198 3.581966 
1 1 1    3   20    9 o  175.156   2.0094 6.588821 4.018796 
1 1 1    3   20   10 o  555.265   3.0977 8.567322 6.195323 
1 1 1    3   20   11 o  352.672   2.8129 -22.50375 5.625827 
1 1 1    3   20   12 o  124.411   2.5448 1.924751 5.089634 
1 1 1    3   20   13 o  209.702   2.2691 -17.87225 4.538275 
1 1 1    3   20   14 o  238.674   2.1743 3.032669 4.348612 
1 1 1    3   20   15 o   88.176   3.9543 -5.604836 7.908649 
1 1 1    3   20   16 o   83.931   4.5595 -0.6706924 9.118964 
1 1 1    3   20   17 o  171.574   2.6523 -10.26283 5.304535 
1 1 1    3   20   18 o  148.688   2.7859 8.340530 5.571784 
1 1 1    3   20   19 o   75.893   5.5931 -14.22328 11.18628 
1 1 1    3   20   20 f  241.255   2.3255 2.590973 4.650934 
1 1 1    3   20   21 o  205.274   2.5071 -4.561722 5.014192 
1 1 1    3   20   22 o  101.720   4.4605 15.17310 8.920948 
1 1 1    3   20   23 o  122.436   3.6855 7.245308 7.371052 
1 1 1    3   20   24 o  197.459   2.5203 2.629990 5.040690 
1 1 1    3   20   25 o   64.683   6.7147 -9.011299 13.42948 
1 1 1    3   20   26 o  122.041   3.5216 0.2272263 7.043138 
1 1 1    3   20   27 o   73.046   6.7660 -20.30694 13.53202 
1 1 1    3   20   28 f   27.910   8.4438 -11.76179 16.88762 
1 1 1    3   20   29 o   59.663   7.8438 21.08958 15.68755 
1 1 1    3   20   30 o   88.587   5.4159 10.88788 10.83171 
1 1 1    3   20   31 f   74.519   7.0160 19.37472 14.03198 
1 1 1    3   20   32 o   32.929   9.4557 -8.294409 18.91144 
1 1 1    3   20   33 o   83.416   5.9557 -5.604233 11.91132 
1 1 1    3   20   34 o  100.555   4.9207 -12.00507 9.841390 
1 1 1    3   21    0 o  175.682   2.5552 0.000000 0.000000 
1 1 1    3   21    1 o  319.154   1.9103 -3.431274 3.820579 
1 1 1    3   21    2 o  398.653   2.4167 -8.723755 4.833423 
1 1 1    3   21    3 o  242.010   1.8244 -1.114594 3.648845 
1 1 1    3   21    4 o  140.555   2.2675 3.106003 4.535043 
1 1 1    3   21    5 o  168.516   2.0795 -5.803268 4.158932 
1 1 1    3   21    6 o  267.573   1.8738 -1.632233 3.747603 
1 1 1    3   21    7 o  596.141   3.2899 -8.464844 6.579716 
1 1 1    3   21    8 f  541.178   3.3636 8.407654 6.727200 
1 1 1    3   21    9 o  370.615   2.3775 -9.837067 4.754931 
1 1 1    3   21   10 o  414.303   2.4410 7.199097 4.882022 
1 1 1    3   21   11 o  293.438   2.5052 18.65628 5.010406 
1 1 1    3   21   12 o  145.527   2.6254 -0.9948578 5.250828 
1 1 1    3   21   13 f  207.172   2.1169 -0.6238251 4.233711 
1 1 1    3   21   14 o  387.984   2.3729 -1.959656 4.745719 
1 1 1    3   21   15 o   84.447   6.4705      ?      ? 
1 1 1    3   21   16 o  212.385   2.6088 -5.404266 5.217643 
1 1 1    3   21   17 f   90.628   4.2016 1.932190 8.403238 
1 1 1    3   21   18 o  153.020   2.8615 -3.048447 5.723074 
1 1 1    3   21   19 o   85.741   4.7809 17.92126 9.561755 
1 1 1    3   21   20 f  143.424   3.0812 2.229935 6.162325 
1 1 1    3   21   21 o  169.907   2.7368 -2.349518 5.473610 
1 1 1    3   21   22 o   72.873   5.6400 0.4322815 11.28007 
1 1 1    3   21   23 o  181.669   2.5860 2.945572 5.172058 
1 1 1    3   21   24 o   56.050   9.4786 3.731003 18.95721 
1 1 1    3   21   25 o  101.293   4.2204 5.931435 8.440839 
1 1 1    3   21   26 f   70.053   5.9220 -1.777481 11.84391 
1 1 1    3   21   27 o   59.929   7.2905 -10.94804 14.58099 
1 1 1    3   21   28 f   43.094   8.9717 9.878548 17.94349 
1 1 1    3   21   29 o   77.962   5.7516 -3.231529 11.50319 
1 1 1    3   21   30 o   32.718   9.2562 -8.493361 18.51247 
1 1 1    3   21   31 o   62.016   7.8172 -12.40471 15.63437 
1 1 1    3   21   32 o   86.352   5.8292 1.801170 11.65844 
1 1 1    3   21   33 o  100.747   4.9475 -24.48732 9.895076 
1 1 1    3   22    0 o  561.150   4.2614 0.000000 0.000000 
1 1 1    3   22    1 o  225.554   2.2448 -0.3630524 4.489589 
1 1 1    3   22    2 o  365.484   2.3209 -1.379852 4.641887 
1 1 1    3   22    3 o  350.298   2.3012 4.502258 4.602314 
1 1 1    3   22    4 o  677.065   3.8948 -9.583008 7.789649 
1 1 1    3   22    5 o  217.080   2.8754 -5.568253 5.750773 
1 1 1    3   22    6 o  113.094   4.6576 22.58966 9.315128 
1 1 1    3   22    7 o  184.393   2.7943 10.16576 5.588652 
1 1 1    3   22    8 o  337.596   2.2844 3.551361 4.568790 
1 1 1    3   22    9 o  246.255   2.5754 9.998093 5.150881 
1 1 1    3   22   10 o  234.052   3.3907      ?      ? 
1 1 1    3   22   11 f  293.210   2.1353 8.080536 4.270620 
1 1 1    3   22   12 o  201.370   2.0158 -0.1856079 4.031553 
1 1 1    3   22   13 o  288.554   2.1905 0.5721741 4.380956 
1 1 1    3   22   14 o  201.140   2.3404 4.888107 4.680884 
1 1 1    3   22   15 o  222.139   2.7739 17.27599 5.547715 
1 1 1    3   22   16 o  215.844   2.2104 7.253616 4.420811 
1 1 1    3   22   17 o  109.241   3.5764 -7.557365 7.152821 
1 1 1    3   22   18 o  154.467   2.7912 2.597595 5.582337 
1 1 1    3   22   19 o  107.971   3.8311 -0.9780197 7.662219 
1 1 1    3   22   20 o  207.460   2.4046 -10.57375 4.809157 
1 1 1    3   22   21 o   41.975   8.6868 7.561916 17.37364 
1 1 1    3   22   22 o   58.555   6.8079 -1.407139 13.61575 
1 1 1    3   22   23 o  185.475   2.4845 -1.116058 4.968968 
1 1 1    3   22   24 o  113.422   4.7828 0.8521729 9.565660 
1 1 1    3   22   25 o  106.873   3.9628 -7.406380 7.925568 
1 1 1    3   22   26 o   18.532   6.4485 -0.3741741 12.89692 
1 1 1    3   22   27 f   29.816   8.7394 -3.724010 17.47870 
1 1 1    3   22   28 o   26.538   8.2661 -6.482964 16.53221 
1 1 1    3   22   29 o   27.741   8.5199 -6.672993 17.03975 
1 1 1    3   22   30 o  155.194   3.1874 -1.709412 6.374881 
1 1 1    3   22   31 o   89.454   5.3434 -5.940216 10.68674 
1 1 1    3   22   32 o   31.440   9.2473 0.5889416 18.49460 
1 1 1    3   22   33 x  ?   ?       ?      ? 
1 1 1    3   23    0 o  429.135   3.4345 0.000000 0.000000 
1 1 1    3   23    1 o  280.585   2.1374 8.601288 4.274826 
1 1 1    3   23    2 o  140.960   2.7206 3.018845 5.441247 
1 1 1    3   23    3 o  261.976   2.0269 4.032776 4.053732 
1 1 1    3   23    4 o   50.649   7.1919 -1.110481 14.38384 
1 1 1    3   23    5 o   20.931   6.8987 4.554594 13.79730 
1 1 1    3   23    6 o  243.257   2.4060 16.81573 4.811911 
1 1 1    3   23    7 o  426.128   3.5737 -69.45053 7.147475 
1 1 1    3   23    8 o   22.144   7.2256 -3.377970 14.45121 
1 1 1    3   23    9 o  160.814   2.3723 -4.408844 4.744608 
1 1 1    3   23   10 o  274.710   2.0914 -1.308105 4.182817 
1 1 1    3   23   11 o   26.511   7.9782 1.791637 15.95648 
1 1 1    3   23   12 o  508.062   3.3319 -1.726501 6.663872 
1 1 1    3   23   13 o  124.440   2.8870 -5.407143 5.773954 
1 1 1    3   23   14 o   39.854   8.8100 -1.931374 17.62000 
1 1 1    3   23   15 o  424.545   2.5349 3.620667 5.069837 
1 1 1    3   23   16 o   37.073   8.5176 2.860210 17.03511 
1 1 1    3   23   17 o  133.103   2.9032 -1.421982 5.806396 
1 1 1    3   23   18 o  238.815   2.1585 1.110840 4.317070 
1 1 1    3   23   19 o   69.813   5.3624 -7.498383 10.72472 
1 1 1    3   23   20 o  160.440   2.6222 -2.704315 5.244473 
1 1 1    3   23   21 o   29.652   8.4287 1.334991 16.85745 
1 1 1    3   23   22 o  162.160   2.5941 -0.4361877 5.188146 
1 1 1    3   23   23 o   61.229   6.3609 -5.196198 12.72186 
1 1 1    3   23   24 o  122.043   5.5812 -30.31871 11.16232 
1 1 1    3   23   25 o   75.433   5.3603 -7.725082 10.72061 
1 1 1    3   23   26 o   32.936   8.8206 4.828398 17.64116 
1 1 1    3   23   27 o   58.957   7.3728 -29.03171 14.74562 
1 1 1    3   23   28 o   72.599   6.1650 20.09280 12.33001 
1 1 1    3   23   29 o   85.099   5.4740 9.318138 10.94807 
1 1 1    3   23   30 o   69.043   6.8140 -11.67956 13.62790 
1 1 1    3   23   31 o   29.290   8.9699 -1.832912 17.93980 
1 1 1    3   23   32 o   46.182   10.589 -29.60952 21.17875 
1 1 1    3   24    0 o  371.603   4.4399 0.000000 0.000000 
1 1 1    3   24    1 o  228.755   2.3432 -13.75984 4.686343 
1 1 1    3   24    2 o  324.953   2.4199 15.59201 4.839749 
1 1 1    3   24    3 o  304.613   2.8162 6.639435 5.632309 
1 1 1    3   24    4 o  151.447   2.7651 8.279495 5.530208 
1 1 1    3   24    5 o  478.929   2.8609 1.674927 5.721725 
1 1 1    3   24    6 o  224.518   2.0557 -1.895874 4.111331 
1 1 1    3   24    7 f  389.644   2.3589 -6.750153 4.717753 
1 1 1    3   24    8 o  326.592   2.1656 -1.649841 4.331168 
1 1 1    3   24    9 o  362.444   2.9108 -43.04193 5.821562 
1 1 1    3   24   10 o   32.404   8.2316 6.099993 16.46326 
1 1 1    3   24   11 o  117.097   2.9644 -4.202843 5.928805 
1 1 1    3   24   12 o   85.619   4.0046 -5.059303 8.009250 
1 1 1    3   24   13 o  235.658   3.2149 -4.027695 6.429787 
1 1 1    3   24   14 o  107.194   3.3153 -1.642090 6.630546 
1 1 1    3   24   15 o  114.526   3.1234 -1.437981 6.246836 
1 1 1    3   24   16 o  235.700   2.1268 1.548264 4.253629 
1 1 1    3   24   17 o  265.668   2.1339 -3.636841 4.267855 
1 1 1    3   24   18 o   37.471   7.4753 25.51150 14.95067 
1 1 1    3   24   19 o  124.629   2.9985 0.5216904 5.996965 
1 1 1    3   24   20 o  148.895   2.5469 3.041306 5.093871 
1 1 1    3   24   21 o   56.396   6.1654 2.052715 12.33082 
1 1 1    3   24   22 o   78.027   4.9186 10.78613 9.837275 
1 1 1    3   24   23 o   19.480   6.6351 1.521648 13.27021 
1 1 1    3   24   24 o  136.279   4.0941 -2.189758 8.188230 
1 1 1    3   24   25 o   87.991   4.7022 7.302696 9.404412 
1 1 1    3   24   26 o   20.748   6.9318 4.192968 13.86357 
1 1 1    3   24   27 o   97.840   4.2695 -0.7195129 8.539072 
1 1 1    3   24   28 o   74.611   5.9336 -4.178520 11.86714 
1 1 1    3   24   29 o  106.813   4.3496 6.051521 8.699250 
1 1 1    3   24   30 o   51.564   8.9929 5.375591 17.98590 
1 1 1    3   24   31 o   34.897   9.2794 3.653175 18.55885 
1 1 1    3   25    0 o  329.451   2.9478 0.000000 0.000000 
1 1 1    3   25    1 o  186.347   2.2117 -0.5422821 4.423353 
1 1 1    3   25    2 o  133.359   2.8030 10.43185 5.605917 
1 1 1    3   25    3 o  104.456   4.3558 4.571342 8.711671 
1 1 1    3   25    4 o  237.951   2.3716 2.336182 4.743121 
1 1 1    3   25    5 o  186.808   2.4511 10.92078 4.902142 
1 1 1    3   25    6 o  356.380   4.3845      ?      ? 
1 1 1    3   25    7 x  ?   ?       ?      ? 
1 1 1    3   25    8 o  240.880   2.3425 3.672546 4.684918 
1 1 1    3   25    9 o  103.455   3.7165 10.22350 7.432960 
1 1 1    3   25   10 o  160.330   2.7282 -3.705734 5.456400 
1 1 1    3   25   11 o   85.601   4.1517 -13.39406 8.303308 
1 1 1    3   25   12 o  318.007   2.1463 3.047577 4.292664 
1 1 1    3   25   13 o  203.306   2.1412 2.757050 4.282332 
1 1 1    3   25   14 o  116.439   3.1518 -4.167084 6.303545 
1 1 1    3   25   15 o  180.525   2.2863 -4.814636 4.572598 
1 1 1    3   25   16 o  139.391   2.6710 -9.537979 5.342070 
1 1 1    3   25   17 o   64.068   5.2280 4.696156 10.45590 
1 1 1    3   25   18 o   76.851   4.3692 2.100533 8.738488 
1 1 1    3   25   19 o  148.260   2.5102 -1.249557 5.020305 
1 1 1    3   25   20 o  151.803   2.4544 5.706390 4.908733 
1 1 1    3   25   21 o   65.658   5.2726 9.328117 10.54529 
1 1 1    3   25   22 o   33.904   8.2548 13.09884 16.50962 
1 1 1    3   25   23 o   23.214   7.4287 1.336063 14.85746 
1 1 1    3   25   24 o  102.618   4.0829 6.553391 8.165831 
1 1 1    3   25   25 o   83.865   4.7761 5.026161 9.552183 
1 1 1    3   25   26 o   28.034   8.2809 -5.106762 16.56181 
1 1 1    3   25   27 o   73.657   5.8582 6.698227 11.71638 
1 1 1    3   25   28 o   88.230   4.9868 7.893280 9.973602 
1 1 1    3   25   29 o   57.125   7.9883 -19.67803 15.97665 
1 1 1    3   25   30 o   53.206   8.2765 14.78435 16.55301 
1 1 1    3   26    0 o  259.048   2.8837 0.000000 0.000000 
1 1 1    3   26    1 x  ?   ?       ?      ? 
1 1 1    3   26    2 o  178.023   2.5334 -8.204865 5.066788 
1 1 1    3   26    3 o  118.932   3.3754 1.057838 6.750746 
1 1 1    3   26    4 o   27.475   7.9574 -7.067917 15.91485 
1 1 1    3   26    5 o   55.445   6.8193 -3.750622 13.63864 
1 1 1    3   26    6 o  186.397   2.4314 -3.964828 4.862829 
1 1 1    3   26    7 f  112.661   3.2121 7.462189 6.424125 
1 1 1    3   26    8 o   93.613   3.7556 -1.621414 7.511127 
1 1 1    3   26    9 o  146.761   2.5219 4.435684 5.043814 
1 1 1    3   26   10 o  129.326   2.7375 -2.850349 5.474907 
1 1 1    3   26   11 o  106.247   3.2070 7.642105 6.414090 
1 1 1    3   26   12 o   19.393   6.4190 -5.150705 12.83804 
1 1 1    3   26   13 o  125.162   2.8512 5.374062 5.702372 
1 1 1    3   26   14 f   49.937   6.9819 3.475208 13.96373 
1 1 1    3   26   15 o   21.116   6.8338 -4.259602 13.66757 
1 1 1    3   26   16 o  106.605   3.1759 -4.489723 6.351806 
1 1 1    3   26   17 o  125.052   2.7065 -1.730820 5.412957 
1 1 1    3   26   18 o   27.159   7.4998 10.50570 14.99968 
1 1 1    3   26   19 o  105.515   3.1894 -7.356171 6.378851 
1 1 1    3   26   20 o  122.330   2.9236 -10.88908 5.847229 
1 1 1    3   26   21 o   96.018   5.7731 53.08652 11.54619 
1 1 1    3   26   22 f   97.322   3.7502 -0.7227859 7.500419 
1 1 1    3   26   23 o   86.279   4.2477 -6.679924 8.495373 
1 1 1    3   26   24 o   93.663   3.9827 -9.331108 7.965312 
1 1 1    3   26   25 o   39.789   8.6266 -4.118668 17.25321 
1 1 1    3   26   26 o  100.617   3.9367 3.025337 7.873402 
1 1 1    3   26   27 o   41.904   9.0548 3.979790 18.10960 
1 1 1    3   26   28 o   47.314   8.7749 12.85368 17.54989 
1 1 1    3   26   29 o   33.187   8.3938 -29.61221 16.78763 
1 1 1    3   27    0 o   85.771   6.4008 0.000000 0.000000 
1 1 1    3   27    1 o  300.921   2.0595 -0.3066711 4.118957 
1 1 1    3   27    2 o  236.788   2.0370 4.865860 4.074097 
1 1 1    3   27    3 o  181.048   2.4353 -1.881073 4.870571 
1 1 1    3   27    4 o  300.380   2.4905 -3.304169 4.980905 
1 1 1    3   27    5 o  117.855   3.6179 7.759964 7.235826 
1 1 1    3   27    6 o   75.797   4.9863 -15.58475 9.972528 
1 1 1    3   27    7 o   75.502   4.7643 11.95473 9.528571 
1 1 1    3   27    8 o  170.016   2.3048 5.481750 4.609559 
1 1 1    3   27    9 o   82.013   4.1701 9.514687 8.340246 
1 1 1    3   27   10 o   47.680   7.1809 9.651188 14.36189 
1 1 1    3   27   11 o  138.779   2.6005 5.376404 5.201022 
1 1 1    3   27   12 f   40.661   7.5540 16.11073 15.10799 
1 1 1    3   27   13 o  134.291   2.6124 0.5379181 5.224850 
1 1 1    3   27   14 o   35.172   7.6518 14.92540 15.30362 
1 1 1    3   27   15 f  144.144   2.3765 0.1268463 4.753027 
1 1 1    3   27   16 o   67.659   4.6073 -3.516548 9.214584 
1 1 1    3   27   17 o   44.692   6.9043 15.07600 13.80868 
1 1 1    3   27   18 o  189.840   2.0858 -9.215851 4.171588 
1 1 1    3   27   19 f   45.176   7.4739 -11.90538 14.94781 
1 1 1    3   27   20 o   91.800   4.8750 15.98319 9.749920 
1 1 1    3   27   21 o   83.532   4.6118 6.825912 9.223593 
1 1 1    3   27   22 o  117.441   3.0796 -8.599945 6.159160 
1 1 1    3   27   23 o   39.966   7.5022 -23.06954 15.00431 
1 1 1    3   27   24 o  136.456   2.8735 10.00230 5.747057 
1 1 1    3   27   25 f   44.239   8.4885 -6.897327 16.97700 
1 1 1    3   27   26 o   60.529   6.9666 17.94035 13.93323 
1 1 1    3   27   27 o   56.707   7.3658 -7.098137 14.73153 
1 1 1    3   27   28 o   28.106   8.3245 7.234911 16.64910 
1 1 1    3   28    0 o   41.384   12.375 0.000000 0.000000 
1 1 1    3   28    1 o  149.606   2.6447 -2.723724 5.289404 
1 1 1    3   28    2 o  203.824   2.1516 -0.2455902 4.303190 
1 1 1    3   28    3 f  124.434   3.1639 -2.888390 6.327853 
1 1 1    3   28    4 o   25.406   7.6915 10.98610 15.38292 
1 1 1    3   28    5 o   19.441   6.5700 5.907230 13.14009 
1 1 1    3   28    6 o  187.064   2.2688 3.953690 4.537613 
1 1 1    3   28    7 o  192.711   2.2080 0.2330780 4.415936 
1 1 1    3   28    8 o   55.644   6.4016 14.32141 12.80324 
1 1 1    3   28    9 o  108.838   3.2363 3.783051 6.472549 
1 1 1    3   28   10 o  145.741   2.5000 -1.437790 4.999973 
1 1 1    3   28   11 o   92.803   3.6533 7.023682 7.306678 
1 1 1    3   28   12 o   40.164   7.1916 -15.45889 14.38329 
1 1 1    3   28   13 o   20.081   6.5379 1.260784 13.07584 
1 1 1    3   28   14 o  113.210   2.7987 0.4283142 5.597493 
1 1 1    3   28   15 o  100.719   3.0508 7.096680 6.101582 
1 1 1    3   28   16 o  156.906   2.2593 -8.684326 4.518678 
1 1 1    3   28   17 o   87.338   3.7198 -4.572365 7.439553 
1 1 1    3   28   18 o   66.409   5.0389 24.15750 10.07771 
1 1 1    3   28   19 o  107.535   3.1682 2.020409 6.336484 
1 1 1    3   28   20 o   41.133   7.6712 -11.64091 15.34245 
1 1 1    3   28   21 o   24.535   7.4801 2.717381 14.96013 
1 1 1    3   28   22 o   94.623   3.7581 12.69569 7.516182 
1 1 1    3   28   23 o   74.960   4.7386 -4.668533 9.477221 
1 1 1    3   28   24 o   73.272   5.1487 -0.7052002 10.29748 
1 1 1    3   28   25 o   34.386   8.4890 14.84966 16.97809 
1 1 1    3   28   26 o   96.080   4.2462 -0.4694977 8.492394 
1 1 1    3   28   27 f   22.480   7.1930 11.59240 14.38601 
1 1 1    3   29    0 o  111.802   4.7441 0.000000 0.000000 
1 1 1    3   29    1 o  240.914   2.0201 0.6682587 4.040261 
1 1 1    3   29    2 o   78.046   4.6891 2.575508 9.378178 
1 1 1    3   29    3 o  225.621   2.2100 -3.520248 4.420043 
1 1 1    3   29    4 o  132.626   2.9293 3.509979 5.858680 
1 1 1    3   29    5 o  163.308   2.4267 0.6402588E-01 4.853394 
1 1 1    3   29    6 o   30.723   7.9106 14.49309 15.82116 
1 1 1    3   29    7 o   25.641   7.6077 -5.186981 15.21535 
1 1 1    3   29    8 o   22.554   7.1279 2.963610 14.25577 
1 1 1    3   29    9 o  105.442   3.1257 2.278625 6.251497 
1 1 1    3   29   10 o   65.945   4.7717 -0.7207489E-01 9.543447 
1 1 1    3   29   11 o  121.343   2.6718 -7.858665 5.343532 
1 1 1    3   29   12 o   47.610   6.5537 1.259613 13.10740 
1 1 1    3   29   13 o  115.460   2.7598 16.60773 5.519532 
1 1 1    3   29   14 o   32.178   7.7994 3.377758 15.59878 
1 1 1    3   29   15 o  151.154   2.2880 -2.068878 4.575953 
1 1 1    3   29   16 o   51.043   6.5248 11.49131 13.04966 
1 1 1    3   29   17 o   52.807   6.5941 3.821312 13.18824 
1 1 1    3   29   18 o   81.876   3.9789 7.980499 7.957725 
1 1 1    3   29   19 o   44.831   7.2471 5.346714 14.49413 
1 1 1    3   29   20 o   18.224   6.2162 -2.255610 12.43247 
1 1 1    3   29   21 o   32.138   7.6657 18.38688 15.33142 
1 1 1    3   29   22 o   33.469   8.3366 5.560034 16.67319 
1 1 1    3   29   23 o   69.546   6.3286 -0.5112610 12.65719 
1 1 1    3   29   24 o   26.250   7.9711 1.352951 15.94221 
1 1 1    3   29   25 o   98.325   3.9668 3.448524 7.933650 
1 1 1    3   29   26 o   24.073   7.3668 -12.42764 14.73357 
1 1 1    3   30    0 o   15.728   7.8964 0.000000 0.000000 
1 1 1    3   30    1 o  152.735   2.4655 -2.829453 4.930996 
1 1 1    3   30    2 o  176.278   2.2097 -0.7423401E-01 4.419353 
1 1 1    3   30    3 o  129.389   2.8867 7.870338 5.773354 
1 1 1    3   30    4 o   90.129   4.7995 -4.388222 9.599025 
1 1 1    3   30    5 o   98.633   3.5156 13.26952 7.031279 
1 1 1    3   30    6 o   42.172   7.4892 -16.53943 14.97833 
1 1 1    3   30    7 o  174.186   2.1659 0.8151398 4.331883 
1 1 1    3   30    8 o   83.273   3.9149 -0.6813431 7.829879 
1 1 1    3   30    9 o   63.639   4.8953 6.430325 9.790586 
1 1 1    3   30   10 o  116.227   2.7636 -7.211174 5.527270 
1 1 1    3   30   11 o   38.730   6.9903 23.37302 13.98063 
1 1 1    3   30   12 o   63.973   4.7312 -3.064751 9.462407 
1 1 1    3   30   13 f  146.913   2.3586 -2.463348 4.717132 
1 1 1    3   30   14 o   30.906   7.7326 -11.32465 15.46516 
1 1 1    3   30   15 o   92.673   3.6114 7.193291 7.222803 
1 1 1    3   30   16 o   77.038   4.2554 2.832207 8.510752 
1 1 1    3   30   17 o  101.241   3.2306 8.256943 6.461273 
1 1 1    3   30   18 o   26.921   7.5729 9.226355 15.14575 
1 1 1    3   30   19 o   92.416   4.0170 -8.415932 8.034098 
1 1 1    3   30   20 o   60.367   5.5788 2.227924 11.15764 
1 1 1    3   30   21 o   20.520   6.7362 -1.184963 13.47232 
1 1 1    3   30   22 o   27.044   7.9298 -1.036673 15.85951 
1 1 1    3   30   23 o   72.839   6.0675 3.322250 12.13507 
1 1 1    3   30   24 o   20.143   6.7877 0.7114029E-01 13.57541 
1 1 1    3   30   25 o   56.532   7.3188 2.013992 14.63762 
1 1 1    3   31    0 o   17.819   8.5713 0.000000 0.000000 
1 1 1    3   31    1 o  129.522   2.5959 -6.817574 5.191764 
1 1 1    3   31    2 o  165.995   2.3394 -0.8419800E-01 4.678898 
1 1 1    3   31    3 o  107.123   3.2684 -5.346100 6.536833 
1 1 1    3   31    4 o  105.016   3.2951 10.19498 6.590129 
1 1 1    3   31    5 o  179.807   2.1619 -3.771027 4.323805 
1 1 1    3   31    6 o  116.723   2.9771 -8.464355 5.954187 
1 1 1    3   31    7 o  119.693   2.7927 -0.4237823 5.585401 
1 1 1    3   31    8 o   16.939   5.8241 3.021134 11.64815 
1 1 1    3   31    9 o  125.865   2.5894 -0.7826614 5.178831 
1 1 1    3   31   10 o  106.109   3.0448 -3.977043 6.089612 
1 1 1    3   31   11 o   68.229   4.7406 20.44825 9.481247 
1 1 1    3   31   12 o  186.044   2.1033 1.340454 4.206580 
1 1 1    3   31   13 x  ?   ?       ?      ? 
1 1 1    3   31   14 o   49.221   6.5534 9.034573 13.10673 
1 1 1    3   31   15 o   36.819   6.4329 -30.22006 12.86589 
1 1 1    3   31   16 o   47.545   6.7653 17.90275 13.53068 
1 1 1    3   31   17 o   25.044   7.3817 -3.714886 14.76331 
1 1 1    3   31   18 o   64.198   5.1104 10.45367 10.22079 
1 1 1    3   31   19 o   74.272   5.7717 2.860115 11.54335 
1 1 1    3   31   20 o   21.464   6.9644 1.279179 13.92879 
1 1 1    3   31   21 o   94.071   3.7778 -3.894249 7.555548 
1 1 1    3   31   22 o   92.672   4.1683 -25.96033 8.336671 
1 1 1    3   31   23 o   88.433   4.2014 -6.285324 8.402781 
1 1 1    3   31   24 o   61.568   6.6509 -8.407875 13.30177 
1 1 1    3   32    0 o  133.717   3.5513 0.000000 0.000000 
1 1 1    3   32    1 o   83.790   3.7369 2.766342 7.473721 
1 1 1    3   32    2 o   39.346   7.5739 -3.713596 15.14780 
1 1 1    3   32    3 o   85.133   4.1109 -3.525963 8.221897 
1 1 1    3   32    4 o  154.224   2.3529 3.009933 4.705765 
1 1 1    3   32    5 o   88.388   3.7369 -1.066177 7.473829 
1 1 1    3   32    6 o   60.087   5.4126 16.23155 10.82527 
1 1 1    3   32    7 o   63.091   5.3230 -5.007492 10.64600 
1 1 1    3   32    8 o   95.243   3.4640 1.929909 6.927987 
1 1 1    3   32    9 o   89.913   4.0815 -7.620277 8.163047 
1 1 1    3   32   10 o   31.638   7.9755 0.6292248 15.95099 
1 1 1    3   32   11 o   28.324   7.7935 3.514238 15.58702 
1 1 1    3   32   12 o   77.082   4.0784 -5.175011 8.156866 
1 1 1    3   32   13 o   48.664   6.7342 -16.82676 13.46842 
1 1 1    3   32   14 o  156.847   2.3193 -1.822479 4.638652 
1 1 1    3   32   15 o   63.305   5.0720 1.355225 10.14401 
1 1 1    3   32   16 o   18.678   6.2377 -4.334715 12.47535 
1 1 1    3   32   17 o   19.340   6.4164 -2.574398 12.83270 
1 1 1    3   32   18 o  104.951   3.7023 6.578995 7.404619 
1 1 1    3   32   19 o   28.428   7.8092 -8.077177 15.61848 
1 1 1    3   32   20 o   58.199   6.3540 -6.902359 12.70809 
1 1 1    3   32   21 o   72.228   5.1835 -3.814117 10.36707 
1 1 1    3   32   22 o   74.307   5.8974 -6.780899 11.79479 
1 1 1    3   33    0 o  111.399   5.3276 0.000000 0.000000 
1 1 1    3   33    1 o   75.619   4.1186 -7.502586 8.237296 
1 1 1    3   33    2 o  124.165   3.5219 0.2584610 7.043857 
1 1 1    3   33    3 o  126.442   3.7912 11.97623 7.582386 
1 1 1    3   33    4 o   59.990   7.2830 41.12665 14.56609 
1 1 1    3   33    5 o   19.083   6.3937 -2.477034 12.78733 
1 1 1    3   33    6 f   16.596   5.7586 1.232653 11.51721 
1 1 1    3   33    7 o   22.435   7.1040 2.507982 14.20807 
1 1 1    3   33    8 o   98.754   3.3589 -1.334717 6.717773 
1 1 1    3   33    9 o   27.406   7.6615 -4.124670 15.32293 
1 1 1    3   33   10 o   78.887   5.0785 -2.096672 10.15705 
1 1 1    3   33   11 o   24.946   6.8198 -17.23969 13.63960 
1 1 1    3   33   12 o   52.566   6.5783 -17.65546 13.15669 
1 1 1    3   33   13 o   50.642   6.8827 32.80354 13.76540 
1 1 1    3   33   14 o   45.686   6.5248 -37.97662 13.04970 
1 1 1    3   33   15 o   62.202   5.3794 -0.2115326 10.75878 
1 1 1    3   33   16 f   86.897   4.5847 -0.1626816 9.169340 
1 1 1    3   33   17 o   32.746   8.6830 7.058218 17.36591 
1 1 1    3   33   18 o   27.122   7.8565 -0.5378704 15.71292 
1 1 1    3   33   19 o   73.705   5.0036 -21.30022 10.00720 
1 1 1    3   33   20 o   83.640   4.5161 -14.80499 9.032171 
1 1 1    3   33   21 o   18.962   6.4756 -4.177279 12.95129 
1 1 1    3   34    0 o   25.040   9.9543 0.000000 0.000000 
1 1 1    3   34    1 o   39.637   7.5970 2.828304 15.19390 
1 1 1    3   34    2 o   64.682   4.8292 -9.553699 9.658426 
1 1 1    3   34    3 o   66.056   4.9730 -1.262993 9.945917 
1 1 1    3   34    4 o   75.916   4.3482 10.39144 8.696308 
1 1 1    3   34    5 o   35.733   7.8623 14.17454 15.72454 
1 1 1    3   34    6 o   53.704   6.9469 -2.102043 13.89390 
1 1 1    3   34    7 o   66.712   4.9622 -8.770039 9.924419 
1 1 1    3   34    8 o   53.578   6.2169 -13.73186 12.43377 
1 1 1    3   34    9 o   16.140   5.5970 -2.559119 11.19400 
1 1 1    3   34   10 o   40.692   7.4803 -23.23650 14.96065 
1 1 1    3   34   11 o   32.046   7.4849 -15.80904 14.96978 
1 1 1    3   34   12 o   94.608   3.5713 4.209496 7.142642 
1 1 1    3   34   13 o   31.999   7.8766 14.57648 15.75328 
1 1 1    3   34   14 o   21.233   6.9004 2.879787 13.80078 
1 1 1    3   34   15 o   26.710   7.4754 15.61203 14.95089 
1 1 1    3   34   16 o   70.641   4.8777 10.78192 9.755314 
1 1 1    3   34   17 o   25.719   7.6958 -2.192822 15.39153 
1 1 1    3   34   18 o   31.869   8.3756 3.296177 16.75114 
1 1 1    3   34   19 o   42.654   7.4455 -27.83586 14.89094 
1 1 1    3   35    0 f   98.735   4.6216 0.000000 0.000000 
1 1 1    3   35    1 f   25.683   7.4670 -3.957554 14.93408 
1 1 1    3   35    2 o  119.437   2.7756 1.391304 5.551293 
1 1 1    3   35    3 o   24.754   7.4987 -0.2623806 14.99739 
1 1 1    3   35    4 x  ?   ?       ?      ? 
1 1 1    3   35    5 o   72.045   7.2600 50.15179 14.52007 
1 1 1    3   35    6 o   28.807   7.8437 6.347624 15.68746 
1 1 1    3   35    7 f   24.271   7.1261 -11.45815 14.25225 
1 1 1    3   35    8 o   40.471   8.1639 8.987019 16.32778 
1 1 1    3   35    9 o   86.440   3.9742 -10.12544 7.948375 
1 1 1    3   35   10 o   50.531   6.9071 2.880333 13.81417 
1 1 1    3   35   11 o   84.896   4.0566 -2.613365 8.113287 
1 1 1    3   35   12 o   26.707   7.5868 14.27401 15.17368 
1 1 1    3   35   13 o   56.413   6.1301 -0.8539696 12.26020 
1 1 1    3   35   14 o   77.715   4.6498 20.64243 9.299552 
1 1 1    3   35   15 o   87.431   4.0564 1.433479 8.112876 
1 1 1    3   35   16 o   34.779   8.2884 7.843704 16.57681 
1 1 1    3   35   17 f   83.469   4.4769 12.40602 8.953828 
1 1 1    3   36    0 o   35.745   11.318 0.000000 0.000000 
1 1 1    3   36    1 f   23.914   7.2973 4.295137 14.59457 
1 1 1    3   36    2 o   64.207   5.4584 8.926640 10.91676 
1 1 1    3   36    3 o   64.140   5.4634 -13.05844 10.92675 
1 1 1    3   36    4 o   35.132   7.5371 -21.35108 15.07417 
1 1 1    3   36    5 o   68.764   5.0037 2.741119 10.00747 
1 1 1    3   36    6 o   42.069   7.9106 6.862240 15.82121 
1 1 1    3   36    7 o   35.466   7.4286 25.97755 14.85720 
1 1 1    3   36    8 o   45.742   7.5666 -9.440540 15.13327 
1 1 1    3   36    9 o   38.287   8.0028 12.87215 16.00566 
1 1 1    3   36   10 o   67.988   5.5812 0.1176147 11.16239 
1 1 1    3   36   11 o  109.232   3.4798 -7.927155 6.959575 
1 1 1    3   36   12 o   60.292   6.1852 15.32482 12.37030 
1 1 1    3   36   13 o   78.661   4.6176 -11.32215 9.235122 
1 1 1    3   36   14 o   20.011   6.6657 -2.015284 13.33146 
1 1 1    3   36   15 x  ?   ?       ?      ? 
1 1 1    3   37    0 o   16.638   8.2610 0.000000 0.000000 
1 1 1    3   37    1 o  102.200   3.4697 -2.064438 6.939461 
1 1 1    3   37    2 o   74.306   4.8526 10.52197 9.705166 
1 1 1    3   37    3 o   33.639   8.3639 1.685349 16.72777 
1 1 1    3   37    4 o   27.177   7.6326 13.99654 15.26524 
1 1 1    3   37    5 o   23.974   7.4223 5.482363 14.84458 
1 1 1    3   37    6 o   79.700   4.6280 -1.558723 9.256002 
1 1 1    3   37    7 o   55.802   6.6754 16.71659 13.35089 
1 1 1    3   37    8 o   26.833   7.8757 5.199533 15.75133 
1 1 1    3   37    9 o   71.046   4.9903 -4.185104 9.980548 
1 1 1    3   37   10 o   17.880   6.1284 -0.5967407 12.25679 
1 1 1    3   37   11 o   85.606   4.0603 5.641731 8.120506 
1 1 1    3   37   12 o   24.334   7.3189 -17.48698 14.63780 
1 1 1    3   38    0 o   20.238   9.4014 0.000000 0.000000 
1 1 1    3   38    1 o   43.306   7.8417 -0.1379128 15.68343 
1 1 1    3   38    2 o   28.512   7.9313 -6.610989 15.86258 
1 1 1    3   38    3 o   23.573   7.3424 -3.427998 14.68475 
1 1 1    3   38    4 o   52.261   7.0253 0.1263390 14.05066 
1 1 1    3   38    5 o   27.149   7.9264 0.6943569 15.85285 
1 1 1    3   38    6 o   22.504   7.5309 11.36322 15.06184 
1 1 1    3   38    7 o   32.165   7.2100 -22.86769 14.42005 
1 1 1    3   38    8 o   53.223   7.0579 9.804180 14.11585 
1 1 1    4    0    0 f  272.040   2.8726 0.000000 0.000000 
1 1 1    4    0    1 o   50.827   1.2116 0.000000 0.000000 
1 1 1    4    0    2 o  540.349   3.9977 0.000000 0.000000 
1 1 1    4    0    3 o  129.500   1.4603 0.000000 0.000000 
1 1 1    4    0    4 o  304.961   2.2960 0.000000 0.000000 
1 1 1    4    0    5 o  429.141   3.2004 0.000000 0.000000 
1 1 1    4    0    6 o   25.168   5.5853 0.000000 0.000000 
1 1 1    4    0    7 o  127.145   1.9872 0.000000 0.000000 
1 1 1    4    0    8 o  267.084   2.6100 0.000000 0.000000 
1 1 1    4    0    9 o  690.356   5.1261 0.000000 0.000000 
1 1 1    4    0   10 o  530.458   3.9731 0.000000 0.000000 
1 1 1    4    0   11 o  336.288   2.6520 0.000000 0.000000 
1 1 1    4    0   12 o  488.014   3.6871 0.000000 0.000000 
1 1 1    4    0   13 o   73.768   3.9473 0.000000 0.000000 
1 1 1    4    0   14 o   21.978   8.4901 0.000000 0.000000 
1 1 1    4    0   15 o  204.738   2.9147 0.000000 0.000000 
1 1 1    4    0   16 o   17.794   8.0350 0.000000 0.000000 
1 1 1    4    0   17 o  328.006   3.3804 0.000000 0.000000 
1 1 1    4    0   18 o  165.389   2.9371 0.000000 0.000000 
1 1 1    4    0   19 o  467.581   3.6831 0.000000 0.000000 
1 1 1    4    0   20 o  354.841   3.0966 0.000000 0.000000 
1 1 1    4    0   21 o   22.239   10.126 0.000000 0.000000 
1 1 1    4    0   22 o   99.149   6.5393 0.000000 0.000000 
1 1 1    4    0   23 o  365.252   4.1366 0.000000 0.000000 
1 1 1    4    0   24 o  192.361   4.3598 0.000000 0.000000 
1 1 1    4    0   25 o   90.082   9.6090 0.000000 0.000000 
1 1 1    4    0   26 o  174.154   5.1582 0.000000 0.000000 
1 1 1    4    0   27 o  324.721   3.6358 0.000000 0.000000 
1 1 1    4    0   28 o  149.055   6.0296 0.000000 0.000000 
1 1 1    4    0   29 o  353.022   3.6987 0.000000 0.000000 
1 1 1    4    0   30 o   21.418   10.669 0.000000 0.000000 
1 1 1    4    0   31 o   80.284   14.321 0.000000 0.000000 
1 1 1    4    0   32 f   49.489   14.307 0.000000 0.000000 
1 1 1    4    0   33 o  212.274   4.0675 0.000000 0.000000 
1 1 1    4    0   34 o   64.639   17.698 0.000000 0.000000 
1 1 1    4    0   35 o   49.218   13.471 0.000000 0.000000 
1 1 1    4    0   36 o   22.684   11.016 0.000000 0.000000 
1 1 1    4    0   37 o   68.286   12.887 0.000000 0.000000 
1 1 1    4    0   38 o   37.997   14.393 0.000000 0.000000 
1 1 1    4    0   39 o   21.383   10.375 0.000000 0.000000 
1 1 1    4    1    0 o  490.587   3.6295 0.000000 0.000000 
1 1 1    4    1    1 o  450.071   2.3555 -0.6011658 4.710972 
1 1 1    4    1    2 o  440.991   2.3098 0.4893188 4.619663 
1 1 1    4    1    3 o  497.462   2.6073 -0.6868286 5.214508 
1 1 1    4    1    4 o  461.174   2.4215 0.4055786E-01 4.843054 
1 1 1    4    1    5 o  699.067   3.6569 0.2319336 7.313872 
1 1 1    4    1    6 o  154.039   1.2033 7.140778 2.406607 
1 1 1    4    1    7 o  316.770   1.8547 -1.196259 3.709328 
1 1 1    4    1    8 o  600.131   3.4042 5.110046 6.808471 
1 1 1    4    1    9 o  392.310   2.1739 2.814819 4.347716 
1 1 1    4    1   10 o  668.242   3.5127 -5.548523 7.025301 
1 1 1    4    1   11 o  397.059   2.1568 -2.693146 4.313549 
1 1 1    4    1   12 o  310.062   1.7854 0.8097229 3.570755 
1 1 1    4    1   13 o  454.355   2.4504 -0.3574219 4.900758 
1 1 1    4    1   14 o   90.592   2.4359 1.912643 4.871777 
1 1 1    4    1   15 o   72.535   3.5391 0.3942871E-01 7.078217 
1 1 1    4    1   16 o  379.798   2.1348 -2.602753 4.269551 
1 1 1    4    1   17 o  335.280   2.1551 -4.619202 4.310215 
1 1 1    4    1   18 o  526.580   2.8494 -1.535400 5.698734 
1 1 1    4    1   19 o  176.936   2.1739 2.406525 4.347765 
1 1 1    4    1   20 o   22.381   7.2441 -3.819029 14.48813 
1 1 1    4    1   21 o  158.607   2.6390 -2.419266 5.277916 
1 1 1    4    1   22 o  466.280   2.6751 -0.2357483 5.350174 
1 1 1    4    1   23 o  520.710   4.1494 40.86218 8.298797 
1 1 1    4    1   24 o   48.692   10.140 13.98104 20.27920 
1 1 1    4    1   25 o  315.157   2.5424 1.305878 5.084716 
1 1 1    4    1   26 o  197.227   3.8609 0.3789063 7.721802 
1 1 1    4    1   27 o  245.082   2.8359 -5.008621 5.671873 
1 1 1    4    1   28 o  216.331   3.1306 -0.2394257 6.261148 
1 1 1    4    1   29 o  167.349   4.0329 -2.823334 8.065862 
1 1 1    4    1   30 o  232.601   2.9613 0.3139343 5.922691 
1 1 1    4    1   31 o  141.126   4.1467 -8.320267 8.293441 
1 1 1    4    1   32 f   54.218   9.8215 8.125385 19.64302 
1 1 1    4    1   33 o   51.417   10.240 5.800716 20.48034 
1 1 1    4    1   34 o   77.527   8.4377 2.075226 16.87532 
1 1 1    4    1   35 o  111.320   4.9102 3.191246 9.820374 
1 1 1    4    1   36 o   28.938   9.0859 5.740953 18.17174 
1 1 1    4    1   37 o   33.452   9.7180 -7.616192 19.43607 
1 1 1    4    1   38 o  101.035   5.8227 -2.140785 11.64536 
1 1 1    4    1   39 o   30.891   9.1698 5.807016 18.33966 
1 1 1    4    2    0 x  ?   ?       ?      ? 
1 1 1    4    2    1 o  346.235   1.8189 4.206238 3.637788 
1 1 1    4    2    2 o  566.492   2.9643 3.019592 5.928603 
1 1 1    4    2    3 o  1231.13   12.913 -20.97583 25.82528 
1 1 1    4    2    4 o  670.859   3.5091 -0.9987793 7.018223 
1 1 1    4    2    5 f  707.529   3.7014 -7.215271 7.402859 
1 1 1    4    2    6 f  1181.56   6.3797 3.084351 12.75939 
1 1 1    4    2    7 o  534.226   2.9006 -2.254028 5.801193 
1 1 1    4    2    8 o   94.636   1.5866 6.924942 3.173248 
1 1 1    4    2    9 o  738.511   4.0066 -10.40186 8.013134 
1 1 1    4    2   10 o  488.335   2.6734 3.527954 5.346732 
1 1 1    4    2   11 o  428.924   2.3099 -1.466248 4.619766 
1 1 1    4    2   12 o  343.833   1.9260 -2.790527 3.852017 
1 1 1    4    2   13 o  445.091   2.4040 -5.507477 4.807904 
1 1 1    4    2   14 o  223.411   1.5964 -1.951981 3.192877 
1 1 1    4    2   15 o  339.774   1.9513 4.432983 3.902617 
1 1 1    4    2   16 o  387.395   2.3302 7.077911 4.660423 
1 1 1    4    2   17 o  367.326   2.1081 7.319489 4.216228 
1 1 1    4    2   18 o  235.941   1.9552 0.1375427 3.910485 
1 1 1    4    2   19 o  371.234   2.2116 3.563385 4.423120 
1 1 1    4    2   20 o  519.434   2.8599 -1.448364 5.719761 
1 1 1    4    2   21 o  854.734   4.5218 -2.818542 9.043696 
1 1 1    4    2   22 o  244.509   2.3138 -4.190552 4.627697 
1 1 1    4    2   23 o  583.609   3.2269 -2.958191 6.453737 
1 1 1    4    2   24 o   34.172   9.6791 17.83471 19.35812 
1 1 1    4    2   25 o  196.663   3.0672 -9.276657 6.134439 
1 1 1    4    2   26 o  466.878   3.0717 6.378510 6.143397 
1 1 1    4    2   27 o  114.137   5.9508 6.310722 11.90157 
1 1 1    4    2   28 o  235.668   2.9501 4.658844 5.900100 
1 1 1    4    2   29 o   79.928   7.9073 22.81303 15.81462 
1 1 1    4    2   30 o  107.496   5.8037 -5.185471 11.60748 
1 1 1    4    2   31 o  159.205   3.7542 9.811935 7.508463 
1 1 1    4    2   32 o  198.340   3.0774 0.6173401 6.154745 
1 1 1    4    2   33 o   79.197   7.9214 -24.56036 15.84285 
1 1 1    4    2   34 o  130.432   4.2971 -3.039749 8.594253 
1 1 1    4    2   35 o   31.763   9.4991 -3.947630 18.99824 
1 1 1    4    2   36 o   97.908   6.3870 -15.62273 12.77403 
1 1 1    4    2   37 o   70.438   7.9028 10.57830 15.80563 
1 1 1    4    2   38 o   59.507   9.8601 4.681179 19.72018 
1 1 1    4    2   39 o   26.244   8.4457 -1.814449 16.89140 
1 1 1    4    3    0 o   58.314   1.2130 0.000000 0.000000 
1 1 1    4    3    1 f  1079.76   15.994      ?      ? 
1 1 1    4    3    2 o  599.494   3.1374 4.742004 6.274740 
1 1 1    4    3    3 o  301.152   1.6017 -1.961548 3.203450 
1 1 1    4    3    4 o  821.665   4.2966 -1.677734 8.593211 
1 1 1    4    3    5 o  696.669   3.6464 5.141602 7.292707 
1 1 1    4    3    6 o   37.009   2.7545 3.067402 5.508901 
1 1 1    4    3    7 o  443.140   2.3450 2.111420 4.690071 
1 1 1    4    3    8 o  329.226   1.9361 0.5141296 3.872184 
1 1 1    4    3    9 o  371.351   2.0675 7.206512 4.135024 
1 1 1    4    3   10 o  659.630   3.5817 -1.726624 7.163373 
1 1 1    4    3   11 o  299.946   1.7633 1.512604 3.526689 
1 1 1    4    3   12 o  292.833   1.7153 5.693146 3.430514 
1 1 1    4    3   13 o  334.872   1.9015 -0.1408691 3.803054 
1 1 1    4    3   14 o  451.481   2.4443 4.230957 4.888513 
1 1 1    4    3   15 o  223.484   1.6282 -2.856186 3.256360 
1 1 1    4    3   16 o  235.088   1.8271 0.2394104E-01 3.654268 
1 1 1    4    3   17 o  246.862   1.7663 -6.481812 3.532521 
1 1 1    4    3   18 o  211.448   1.8680 -2.352448 3.736048 
1 1 1    4    3   19 o  419.385   2.3945 2.087311 4.788989 
1 1 1    4    3   20 o  509.016   2.8118 -3.436554 5.623541 
1 1 1    4    3   21 o  299.897   2.1338 -0.5070190 4.267649 
1 1 1    4    3   22 o  465.178   2.6792 -1.782806 5.358404 
1 1 1    4    3   23 o  305.994   2.3983 -3.314423 4.796514 
1 1 1    4    3   24 f  466.523   2.7908 -4.369629 5.581570 
1 1 1    4    3   25 o  200.319   3.1363 0.6349030 6.272636 
1 1 1    4    3   26 f  152.459   5.2035 18.63626 10.40696 
1 1 1    4    3   27 f  120.426   5.0623 -0.6940918 10.12469 
1 1 1    4    3   28 o   31.778   9.8045 1.259911 19.60904 
1 1 1    4    3   29 o  221.565   3.0227 -3.379456 6.045385 
1 1 1    4    3   30 f  199.286   3.2458 -4.017029 6.491681 
1 1 1    4    3   31 o   30.970   9.6957 -1.272116 19.39134 
1 1 1    4    3   32 f  127.785   4.3724 14.09656 8.744729 
1 1 1    4    3   33 o  148.859   3.7941 7.838486 7.588199 
1 1 1    4    3   34 o   60.619   9.3427 0.1013870 18.68535 
1 1 1    4    3   35 o   61.324   8.8199 -21.21298 17.63972 
1 1 1    4    3   36 o   79.790   10.764 -18.86726 21.52764 
1 1 1    4    3   37 o   40.695   9.5745 24.28218 19.14891 
1 1 1    4    3   38 o   49.725   10.314 16.46571 20.62824 
1 1 1    4    3   39 o   45.136   9.9937 3.013920 19.98747 
1 1 1    4    4    0 o  283.088   3.0092 0.000000 0.000000 
1 1 1    4    4    1 o  156.672   1.2552 8.464600 2.510333 
1 1 1    4    4    2 o  1204.22   12.629 5.435791 25.25825 
1 1 1    4    4    3 o  938.796   5.6649 -0.3300171 11.32973 
1 1 1    4    4    4 o  153.180   0.9703 -2.338623 1.940605 
1 1 1    4    4    5 f  140.502   1.1005 3.472733 2.200910 
1 1 1    4    4    6 o  525.232   2.7635 -2.087524 5.527083 
1 1 1    4    4    7 o  613.605   3.2202 -0.9282837 6.440399 
1 1 1    4    4    8 o  794.473   4.1621 -2.157532 8.324112 
1 1 1    4    4    9 o  661.967   3.5933 -3.237549 7.186588 
1 1 1    4    4   10 o  544.706   2.9735 -0.6944580 5.947082 
1 1 1    4    4   11 o  129.804   1.5489 2.164032 3.097772 
1 1 1    4    4   12 o  325.042   1.8862 2.628540 3.772485 
1 1 1    4    4   13 o  509.468   2.7204 -1.345886 5.440870 
1 1 1    4    4   14 o  239.870   1.7414 -2.706421 3.482847 
1 1 1    4    4   15 o  177.072   1.6590 -4.591721 3.318098 
1 1 1    4    4   16 o  382.348   2.1588 -5.122681 4.317513 
1 1 1    4    4   17 o  115.065   2.4376 -4.279778 4.875152 
1 1 1    4    4   18 o  339.849   2.0678 1.117523 4.135549 
1 1 1    4    4   19 o  245.352   1.9920 -2.298416 3.983919 
1 1 1    4    4   20 o  530.473   2.9059 -2.203857 5.811838 
1 1 1    4    4   21 o  296.996   2.1294 -0.2613220 4.258722 
1 1 1    4    4   22 o  602.431   3.2931 -2.333252 6.586278 
1 1 1    4    4   23 o  174.710   3.1490 2.051941 6.297947 
1 1 1    4    4   24 o  271.168   3.9200 42.80385 7.840030 
1 1 1    4    4   25 o  101.749   5.4881 3.322601 10.97611 
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1 1 1    4    5   38 o   23.265   7.9779 2.410749 15.95588 
1 1 1    4    5   39 o   49.920   7.1249 -50.55109 14.24988 
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1 1 1    4    6    5 o  1086.52   5.7052 6.185425 11.41043 
1 1 1    4    6    6 o  450.681   2.3839 -3.279572 4.767733 
1 1 1    4    6    7 o  292.135   1.6105 0.9488220 3.220963 
1 1 1    4    6    8 o  468.388   2.4823 1.641479 4.964607 
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1 1 1    4    6   21 o  276.451   2.1447 -0.4421692 4.289356 
1 1 1    4    6   22 x  ?   ?       ?      ? 
1 1 1    4    6   23 o  422.153   2.6095 -7.965332 5.218917 
1 1 1    4    6   24 o  134.874   4.3936 -7.623795 8.787182 
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1 1 1    4    6   26 o  244.024   2.8475 4.401352 5.694971 
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1 1 1    4    6   31 o   70.840   7.8865 18.03593 15.77294 
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1 1 1    4    7    4 o  830.876   5.0179 -3.758179 10.03588 
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1 1 1    4    7    9 o  709.067   3.7252 6.570129 7.450425 
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1 1 1    4    7   12 f   83.434   2.2237 3.270119 4.447484 
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1 1 1    4    7   39 o   41.933   10.121 3.658813 20.24252 
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1 1 1    4    8    5 o   92.211   1.5089 1.648247 3.017750 
1 1 1    4    8    6 o  665.321   3.5042 2.692993 7.008428 
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1 1 1    4    8   19 o  960.120   5.0558 9.460022 10.11166 
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1 1 1    4    8   30 o   77.945   7.0517 5.526985 14.10337 
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1 1 1    4    8   32 o   46.581   8.9932 33.11231 17.98643 
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1 1 1    4    8   39 o   37.187   8.5188 -32.63505 17.03755 
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1 1 1    4    9    7 f  327.064   1.7877 6.917297 3.575377 
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1 1 1    4    9   22 o  380.869   2.5006 -2.419556 5.001233 
1 1 1    4    9   23 x  ?   ?       ?      ? 
1 1 1    4    9   24 o  108.177   5.2119 -3.422058 10.42373 
1 1 1    4    9   25 o  406.740   2.9681 -4.514465 5.936201 
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1 1 1    4   10   38 o   36.554   9.3469 -12.97221 18.69380 
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1 1 1    4   11    2 o  297.677   1.6990 -1.160187 3.397940 
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1 1 1    4   11    9 o  251.260   1.5030 2.711823 3.005999 
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1 1 1    4   11   14 o  388.446   2.2384 -4.425079 4.476820 
1 1 1    4   11   15 o  175.857   1.7812 6.157288 3.562428 
1 1 1    4   11   16 o   47.117   6.3316 3.015800 12.66313 
1 1 1    4   11   17 o  303.159   2.0289 -3.550262 4.057723 
1 1 1    4   11   18 o  198.139   2.0400 -6.328857 4.079976 
1 1 1    4   11   19 o  476.674   2.7588 -6.907806 5.517565 
1 1 1    4   11   20 o  383.502   3.0995 9.835449 6.199005 
1 1 1    4   11   21 o  132.149   5.8275 -18.77413 11.65493 
1 1 1    4   11   22 o   86.875   6.5906 -2.121033 13.18111 
1 1 1    4   11   23 o  518.473   3.2471 -1.376343 6.494221 
1 1 1    4   11   24 o  469.362   2.8522 1.260132 5.704451 
1 1 1    4   11   25 o  149.045   3.7540 -7.057495 7.508011 
1 1 1    4   11   26 o  213.762   2.9306 8.257645 5.861100 
1 1 1    4   11   27 o  219.101   3.1878 0.7655487 6.375658 
1 1 1    4   11   28 o  226.366   2.9010 2.104645 5.801998 
1 1 1    4   11   29 o  215.461   2.8531 7.269104 5.706183 
1 1 1    4   11   30 o   29.977   9.2365 13.80819 18.47306 
1 1 1    4   11   31 o  111.427   4.8675 16.88561 9.735087 
1 1 1    4   11   32 o  248.002   3.0154 -2.667786 6.030756 
1 1 1    4   11   33 o   97.107   5.5069 -11.83657 11.01387 
1 1 1    4   11   34 o  141.601   3.9325 -4.382156 7.864933 
1 1 1    4   11   35 o   46.065   10.027 -19.41951 20.05330 
1 1 1    4   11   36 o   57.491   9.7159 -12.95743 19.43186 
1 1 1    4   11   37 o   61.580   8.6399 11.67906 17.27976 
1 1 1    4   11   38 o   25.585   8.1570 -8.912781 16.31392 
1 1 1    4   12    0 o   9.8928   4.9593 0.000000 0.000000 
1 1 1    4   12    1 o   29.856   4.2122 -0.5436363 8.424471 
1 1 1    4   12    2 o  480.060   2.7401 -5.156464 5.480178 
1 1 1    4   12    3 o   58.793   1.8306 -5.865608 3.661263 
1 1 1    4   12    4 o  192.024   1.3499 -0.4369202 2.699876 
1 1 1    4   12    5 o   98.636   1.2156 0.5908966 2.431266 
1 1 1    4   12    6 o  229.847   1.6730 -1.789841 3.345993 
1 1 1    4   12    7 o  356.918   1.9464 -3.306213 3.892836 
1 1 1    4   12    8 o  246.788   1.4725 1.323654 2.944994 
1 1 1    4   12    9 o  292.733   1.6765 -0.5508118 3.353002 
1 1 1    4   12   10 o  480.760   2.5677 2.072296 5.135308 
1 1 1    4   12   11 o  365.032   2.3073 -2.884552 4.614542 
1 1 1    4   12   12 f  208.371   1.5117 11.36293 3.023446 
1 1 1    4   12   13 o  116.396   1.9365 0.5996857 3.873064 
1 1 1    4   12   14 o  358.480   2.2307 3.585999 4.461355 
1 1 1    4   12   15 o  225.405   2.0456 -2.837601 4.091298 
1 1 1    4   12   16 o  170.013   1.9848 2.630783 3.969685 
1 1 1    4   12   17 o  380.930   2.2925 0.3499146 4.584909 
1 1 1    4   12   18 o  268.230   2.0204 -1.889923 4.040820 
1 1 1    4   12   19 o  446.129   2.8019 -7.783813 5.603879 
1 1 1    4   12   20 o  145.939   3.0611 -0.9367371E-01 6.122221 
1 1 1    4   12   21 o  482.361   2.8486 6.037933 5.697187 
1 1 1    4   12   22 o  227.237   2.4615 -0.8064117 4.922909 
1 1 1    4   12   23 o  377.622   3.2815 -29.23999 6.562978 
1 1 1    4   12   24 o  147.364   3.7560 0.3288116 7.512055 
1 1 1    4   12   25 o  227.077   3.1183 3.808823 6.236634 
1 1 1    4   12   26 o   83.555   6.5241 3.233482 13.04813 
1 1 1    4   12   27 o   50.485   10.164 16.71118 20.32759 
1 1 1    4   12   28 o  132.543   4.2814 3.698822 8.562866 
1 1 1    4   12   29 o  130.276   4.1423 5.189278 8.284511 
1 1 1    4   12   30 o   36.422   9.5389 -17.78761 19.07771 
1 1 1    4   12   31 o   30.813   9.2923 -6.007044 18.58451 
1 1 1    4   12   32 o   22.391   7.6632 2.307798 15.32630 
1 1 1    4   12   33 o   66.579   8.1260 -8.286148 16.25196 
1 1 1    4   12   34 o  108.854   5.1097 12.95534 10.21948 
1 1 1    4   12   35 o   93.369   5.7467 -1.313492 11.49340 
1 1 1    4   12   36 o   85.654   6.6649 8.655533 13.32980 
1 1 1    4   12   37 o   38.557   9.9153 -2.099117 19.83059 
1 1 1    4   13    0 o  696.216   5.9902 0.000000 0.000000 
1 1 1    4   13    1 o  253.133   1.4666 0.7015381 2.933264 
1 1 1    4   13    2 o  171.730   1.2147 -0.2699280 2.429377 
1 1 1    4   13    3 o  400.290   2.3051 -3.396729 4.610124 
1 1 1    4   13    4 o  223.319   1.4442 -2.926559 2.888433 
1 1 1    4   13    5 o   61.909   2.2959 5.547775 4.591728 
1 1 1    4   13    6 o  219.851   1.6867 -11.35944 3.373315 
1 1 1    4   13    7 o  155.174   1.2142 -2.446579 2.428473 
1 1 1    4   13    8 o  309.277   1.7413 -1.144867 3.482586 
1 1 1    4   13    9 o  232.663   1.4613 3.269730 2.922576 
1 1 1    4   13   10 o  196.540   1.3884 6.587173 2.776789 
1 1 1    4   13   11 o  336.049   1.9030 0.3302917 3.805968 
1 1 1    4   13   12 o  549.767   3.1685 -4.533997 6.336918 
1 1 1    4   13   13 o  226.696   1.6755 3.636108 3.350954 
1 1 1    4   13   14 o  465.736   2.6255 2.386841 5.251048 
1 1 1    4   13   15 o  144.709   2.1103 -3.857040 4.220592 
1 1 1    4   13   16 f  364.633   2.2146 0.2942200 4.429150 
1 1 1    4   13   17 o  298.461   2.1562 2.432922 4.312307 
1 1 1    4   13   18 o  388.653   2.3949 -4.484680 4.789779 
1 1 1    4   13   19 o  420.069   2.5659 -9.196045 5.131813 
1 1 1    4   13   20 o  524.315   3.0275 -4.913208 6.055084 
1 1 1    4   13   21 o  181.480   3.0003 -8.991074 6.000502 
1 1 1    4   13   22 o  117.998   4.1684 6.016434 8.336763 
1 1 1    4   13   23 o  204.423   3.2416 4.942596 6.483178 
1 1 1    4   13   24 o  152.969   3.4386 2.900955 6.877142 
1 1 1    4   13   25 o  180.004   3.3193 -9.679749 6.638545 
1 1 1    4   13   26 o  152.543   3.7683 -5.789978 7.536679 
1 1 1    4   13   27 o  155.215   3.7383 3.890976 7.476627 
1 1 1    4   13   28 o   20.833   7.2452 2.226866 14.49038 
1 1 1    4   13   29 o  129.877   4.1290 1.653152 8.258020 
1 1 1    4   13   30 o   30.805   9.1755 10.54141 18.35102 
1 1 1    4   13   31 o   56.178   9.2413 1.563057 18.48252 
1 1 1    4   13   32 o   86.968   6.0953 10.79681 12.19058 
1 1 1    4   13   33 o   83.517   6.2682 5.003296 12.53646 
1 1 1    4   13   34 o   26.943   8.6651 5.066652 17.33016 
1 1 1    4   13   35 o   36.468  10.0000 12.04865 20.00032 
1 1 1    4   13   36 f   44.429   10.233 13.75350 20.46641 
1 1 1    4   13   37 o   53.488   8.7722 2.041893 17.54441 
1 1 1    4   14    0 o   28.173   6.7184 0.000000 0.000000 
1 1 1    4   14    1 o  223.092   1.3717 -2.101837 2.743320 
1 1 1    4   14    2 o  260.490   1.5979 0.2624512E-02 3.195791 
1 1 1    4   14    3 o  146.775   1.3257 1.059875 2.651416 
1 1 1    4   14    4 o  311.116   1.8531 0.2658691 3.706106 
1 1 1    4   14    5 o  236.044   1.4286 -2.963364 2.857160 
1 1 1    4   14    6 o  284.310   1.6264 -4.297485 3.252871 
1 1 1    4   14    7 o  362.160   1.9855 1.926239 3.970917 
1 1 1    4   14    8 o  203.243   1.3677 0.1094513 2.735351 
1 1 1    4   14    9 o  344.685   1.9254 -0.7901001E-01 3.850722 
1 1 1    4   14   10 o  200.447   1.7620 3.325592 3.523926 
1 1 1    4   14   11 o  482.648   2.5936 5.553833 5.187233 
1 1 1    4   14   12 o  333.360   1.9269 -3.385406 3.853844 
1 1 1    4   14   13 o  457.746   2.5847 5.488647 5.169477 
1 1 1    4   14   14 o  185.570   1.7919 1.661484 3.583807 
1 1 1    4   14   15 o  142.924   2.3690 -0.7856293 4.737988 
1 1 1    4   14   16 o  260.011   1.9286 2.210266 3.857268 
1 1 1    4   14   17 o  251.742   2.2016 2.765701 4.403269 
1 1 1    4   14   18 o  408.677   2.8636 49.09457 5.727259 
1 1 1    4   14   19 o  463.871   2.7471 0.2646790 5.494233 
1 1 1    4   14   20 o  428.975   2.7560 0.2219543 5.512030 
1 1 1    4   14   21 o  200.888   3.0067 -1.948517 6.013401 
1 1 1    4   14   22 o  108.248   5.1437 16.60242 10.28738 
1 1 1    4   14   23 o   65.310   8.6356 -24.00958 17.27123 
1 1 1    4   14   24 o  106.023   5.6631 -17.76458 11.32611 
1 1 1    4   14   25 f  197.113   2.9853 7.843323 5.970619 
1 1 1    4   14   26 o   81.048   6.6820 19.85944 13.36391 
1 1 1    4   14   27 o  116.955   4.8994 0.3895950 9.798709 
1 1 1    4   14   28 o  340.948   2.4836 -1.837219 4.967299 
1 1 1    4   14   29 o  121.288   4.2367 -1.039764 8.473455 
1 1 1    4   14   30 o   30.237   9.2396 0.4047432 18.47912 
1 1 1    4   14   31 o   55.760   9.5486 -2.837036 19.09727 
1 1 1    4   14   32 o  123.200   4.2857 -6.236961 8.571321 
1 1 1    4   14   33 o   33.644   9.7032 -6.938381 19.40633 
1 1 1    4   14   34 o   60.267   8.9585 -5.623196 17.91706 
1 1 1    4   14   35 o   45.004   10.067 9.945190 20.13470 
1 1 1    4   14   36 o   46.218   9.7843 15.15239 19.56861 
1 1 1    4   14   37 o   57.523   8.1199 5.857349 16.23980 
1 1 1    4   15    0 f  315.026   2.8469 0.000000 0.000000 
1 1 1    4   15    1 o  347.082   2.0399 -1.926758 4.079824 
1 1 1    4   15    2 o  158.686   1.2869 1.600998 2.573845 
1 1 1    4   15    3 o  119.162   1.3210 -3.334633 2.641918 
1 1 1    4   15    4 o  165.622   1.2552 -5.357880 2.510357 
1 1 1    4   15    5 o  297.708   1.7152 -4.098511 3.430429 
1 1 1    4   15    6 f  257.518   1.5357 -0.2996826E-01 3.071318 
1 1 1    4   15    7 o  545.767   2.9011 -1.226624 5.802290 
1 1 1    4   15    8 o  332.155   2.0486 5.642273 4.097254 
1 1 1    4   15    9 o  225.575   1.5115 -4.153549 3.022994 
1 1 1    4   15   10 o  156.670   1.4769 -4.439194 2.953712 
1 1 1    4   15   11 o  475.461   2.7709 -2.524414 5.541817 
1 1 1    4   15   12 o  698.755   3.6957 10.12299 7.391409 
1 1 1    4   15   13 o  190.280   1.9474 -0.1301880 3.894722 
1 1 1    4   15   14 o  756.727   4.7464 -1.667542 9.492711 
1 1 1    4   15   15 o   62.361   4.5561 12.59845 9.112118 
1 1 1    4   15   16 o  102.221   3.0620 -9.513786 6.124053 
1 1 1    4   15   17 o  389.296   3.5284 -28.52286 7.056834 
1 1 1    4   15   18 o  560.067   3.1710 0.9628906 6.341930 
1 1 1    4   15   19 o  389.074   5.1477      ?      ? 
1 1 1    4   15   20 o  117.462   4.0260 6.041359 8.051958 
1 1 1    4   15   21 o  186.898   2.9166 5.196655 5.833242 
1 1 1    4   15   22 o  269.120   2.5594 -5.440765 5.118889 
1 1 1    4   15   23 o  189.482   3.2064 6.500793 6.412738 
1 1 1    4   15   24 o  130.731   5.0089 3.874771 10.01770 
1 1 1    4   15   25 o   35.499   9.7408 4.834618 19.48166 
1 1 1    4   15   26 o  284.746   2.5141 -1.392365 5.028223 
1 1 1    4   15   27 o  148.383   3.4221 -0.2615814 6.844261 
1 1 1    4   15   28 o  172.275   3.0648 7.035156 6.129521 
1 1 1    4   15   29 o  110.737   4.4473 1.366417 8.894692 
1 1 1    4   15   30 f   26.883   8.6772 3.243086 17.35434 
1 1 1    4   15   31 o   55.059   9.3279 8.742363 18.65581 
1 1 1    4   15   32 o  105.747   4.8729 12.75813 9.745770 
1 1 1    4   15   33 o   23.759   7.9506 -6.095415 15.90114 
1 1 1    4   15   34 o   35.974   9.8779 4.069466 19.75582 
1 1 1    4   15   35 o   32.756   9.7119 -2.108788 19.42375 
1 1 1    4   15   36 o   72.579   6.5622 7.913383 13.12430 
1 1 1    4   16    0 o  546.424   4.7057 0.000000 0.000000 
1 1 1    4   16    1 o  274.551   1.6864 -3.432159 3.372719 
1 1 1    4   16    2 o  324.293   1.8462 -3.474060 3.692378 
1 1 1    4   16    3 o  186.639   1.3401 -0.8311768 2.680252 
1 1 1    4   16    4 o  387.008   2.1629 0.2753601 4.325830 
1 1 1    4   16    5 o  258.136   1.5791 9.310547 3.158296 
1 1 1    4   16    6 o  159.431   1.3289 -1.898560 2.657775 
1 1 1    4   16    7 o   72.530   2.1469 -2.626198 4.293858 
1 1 1    4   16    8 o  661.960   3.5013 -3.322144 7.002662 
1 1 1    4   16    9 o  464.319   2.6935 -4.564667 5.387071 
1 1 1    4   16   10 o  130.002   1.6619 1.866302 3.323849 
1 1 1    4   16   11 o  361.541   2.5141 17.02197 5.028231 
1 1 1    4   16   12 o  603.709   3.2230 4.557007 6.446004 
1 1 1    4   16   13 o  300.911   1.9619 -6.980927 3.923755 
1 1 1    4   16   14 o  376.336   2.2688 -1.114746 4.537663 
1 1 1    4   16   15 o  422.688   2.4879 3.658783 4.975743 
1 1 1    4   16   16 o  280.743   5.4136      ?      ? 
1 1 1    4   16   17 o  426.564   2.9511 -0.4606018 5.902208 
1 1 1    4   16   18 f  177.777   3.4717 47.95477 6.943443 
1 1 1    4   16   19 o  307.001   2.2995 4.378113 4.598959 
1 1 1    4   16   20 o  140.432   3.2453 -3.056458 6.490502 
1 1 1    4   16   21 o  189.007   2.8847 2.636581 5.769458 
1 1 1    4   16   22 o   89.173   5.3233 -2.017860 10.64660 
1 1 1    4   16   23 o   53.731   9.1135 -0.8822861 18.22698 
1 1 1    4   16   24 o  113.155   5.7092 1.231789 11.41848 
1 1 1    4   16   25 o  185.001   2.9200 2.538284 5.839978 
1 1 1    4   16   26 o   44.668   8.6361 -35.15168 17.27224 
1 1 1    4   16   27 o  142.341   3.4838 6.001389 6.967572 
1 1 1    4   16   28 o   62.895   7.6191 -1.574272 15.23810 
1 1 1    4   16   29 o  130.873   3.7198 -6.281136 7.439566 
1 1 1    4   16   30 o   28.440   8.8085 -3.129921 17.61701 
1 1 1    4   16   31 o  105.295   4.6235 -11.95057 9.246994 
1 1 1    4   16   32 o   39.063   9.6804 7.668354 19.36071 
1 1 1    4   16   33 o   59.004   9.3377 1.168030 18.67532 
1 1 1    4   16   34 o   30.023   9.2447 8.709150 18.48937 
1 1 1    4   16   35 o   32.140   9.4540 -6.857941 18.90795 
1 1 1    4   16   36 o   44.463   9.1295 -0.4717178 18.25895 
1 1 1    4   17    0 o  477.414   4.1414 0.000000 0.000000 
1 1 1    4   17    1 o  490.315   2.6929 -0.9445190 5.385800 
1 1 1    4   17    2 o  278.529   1.6754 0.4434814 3.350868 
1 1 1    4   17    3 o  264.395   1.9911 -1.906982 3.982173 
1 1 1    4   17    4 o  283.883   1.7018 -6.596619 3.403603 
1 1 1    4   17    5 o  195.729   1.4435 -6.053055 2.886971 
1 1 1    4   17    6 o  561.904   3.4333 -7.873596 6.866626 
1 1 1    4   17    7 o  696.956   3.7913 -5.722107 7.582655 
1 1 1    4   17    8 o  342.262   2.1604 8.841583 4.320859 
1 1 1    4   17    9 o  296.785   1.8058 3.916931 3.611577 
1 1 1    4   17   10 o  140.043   1.7735 -2.994537 3.547064 
1 1 1    4   17   11 o  425.884   2.3662 0.9072571 4.732369 
1 1 1    4   17   12 o  290.370   1.8611 0.5295105 3.722274 
1 1 1    4   17   13 o  676.589   4.4191 -5.181091 8.838146 
1 1 1    4   17   14 o  337.704   2.2595 2.452118 4.518999 
1 1 1    4   17   15 o  385.706   4.3608      ?      ? 
1 1 1    4   17   16 o   76.822   5.3667 -2.357399 10.73331 
1 1 1    4   17   17 o  466.514   2.9134 24.08371 5.826712 
1 1 1    4   17   18 o  362.885   2.4000 3.220886 4.800014 
1 1 1    4   17   19 o  239.545   2.8568 -2.642029 5.713513 
1 1 1    4   17   20 o  139.925   3.3396 -3.825424 6.679135 
1 1 1    4   17   21 o  132.309   3.4915 -1.014633 6.983092 
1 1 1    4   17   22 o  209.829   2.6581 -6.758881 5.316116 
1 1 1    4   17   23 o  247.647   2.4542 2.529388 4.908484 
1 1 1    4   17   24 o  124.649   4.0408 2.864449 8.081532 
1 1 1    4   17   25 o  110.920   4.4942 4.336670 8.988343 
1 1 1    4   17   26 o   68.245   6.6968 -8.209290 13.39362 
1 1 1    4   17   27 o  132.219   3.6497 3.736130 7.299307 
1 1 1    4   17   28 o   85.022   5.5432 10.65565 11.08633 
1 1 1    4   17   29 o  145.523   3.4189 -0.4271240 6.837821 
1 1 1    4   17   30 o  125.172   3.9725 -1.015442 7.944935 
1 1 1    4   17   31 o  196.072   2.8059 0.6286011 5.611887 
1 1 1    4   17   32 o   75.180   6.5729 -23.47123 13.14587 
1 1 1    4   17   33 o   62.660   8.3402 6.075424 16.68049 
1 1 1    4   17   34 o   80.723   6.4084 0.1239014E-01 12.81673 
1 1 1    4   17   35 o   88.683   5.7160 -5.357056 11.43208 
1 1 1    4   18    0 o  364.808   3.4866 0.000000 0.000000 
1 1 1    4   18    1 o  649.028   5.3370 8.263977 10.67405 
1 1 1    4   18    2 o  176.471   1.5521 -0.4780579 3.104167 
1 1 1    4   18    3 o  324.551   1.9034 -1.032684 3.806897 
1 1 1    4   18    4 o  295.766   1.8464 -3.500671 3.692871 
1 1 1    4   18    5 o  624.881   3.5613 -17.28510 7.122510 
1 1 1    4   18    6 f  362.386   2.0853 -4.835236 4.170535 
1 1 1    4   18    7 o  262.608   1.7146 7.351624 3.429142 
1 1 1    4   18    8 o  273.435   1.7532 -1.495575 3.506400 
1 1 1    4   18    9 o  561.537   3.0069 5.461853 6.013829 
1 1 1    4   18   10 o  446.627   2.4707 1.876862 4.941448 
1 1 1    4   18   11 o  270.648   1.8033 5.361023 3.606680 
1 1 1    4   18   12 o  210.251   1.9433 6.803833 3.886676 
1 1 1    4   18   13 o  227.633   3.0545 -28.49577 6.109034 
1 1 1    4   18   14 f  506.291   3.0271 -3.471222 6.054238 
1 1 1    4   18   15 o  127.337   2.7481 -5.194176 5.496187 
1 1 1    4   18   16 o  318.961   2.7909 3.686768 5.581894 
1 1 1    4   18   17 o  482.684   2.8543 -2.540955 5.708570 
1 1 1    4   18   18 o   77.066   5.1122 -2.610458 10.22440 
1 1 1    4   18   19 o  180.950   2.7032 -4.694809 5.406325 
1 1 1    4   18   20 o   92.048   4.8437 -5.834366 9.687484 
1 1 1    4   18   21 o  178.411   2.7990 3.629440 5.597991 
1 1 1    4   18   22 o  192.066   2.7389 -0.2813873 5.477841 
1 1 1    4   18   23 o   40.671   9.6692 -11.68208 19.33845 
1 1 1    4   18   24 o  260.082   2.3911 8.640137 4.782255 
1 1 1    4   18   25 o  105.574   4.4344 -6.909309 8.868797 
1 1 1    4   18   26 f   77.646   5.7807 -15.23568 11.56141 
1 1 1    4   18   27 o   35.738   9.3772 3.336887 18.75447 
1 1 1    4   18   28 o  119.009   3.9122 11.13677 7.824389 
1 1 1    4   18   29 o  135.713   3.6123 4.440735 7.224618 
1 1 1    4   18   30 o   71.076   6.6683 -9.858940 13.33669 
1 1 1    4   18   31 o   54.497   8.7415 -7.409157 17.48302 
1 1 1    4   18   32 o   45.324   9.6899 -0.9438782 19.37981 
1 1 1    4   18   33 f   36.848   9.8311 -12.21370 19.66222 
1 1 1    4   18   34 o   89.797   5.7408 2.077736 11.48169 
1 1 1    4   18   35 o   41.770   9.8233 7.956974 19.64653 
1 1 1    4   19    0 o  332.887   2.7008 0.000000 0.000000 
1 1 1    4   19    1 o  273.285   2.0491 -0.6715698 4.098202 
1 1 1    4   19    2 f   93.517   2.6341 1.642677 5.268208 
1 1 1    4   19    3 o  280.451   1.8506 2.980286 3.701205 
1 1 1    4   19    4 o  165.573   1.8209 0.3970184 3.641731 
1 1 1    4   19    5 o  536.118   2.9675 9.962769 5.935003 
1 1 1    4   19    6 o  315.770   1.9264 8.681152 3.852739 
1 1 1    4   19    7 o  492.145   2.8616 -1.008820 5.723100 
1 1 1    4   19    8 o   87.249   2.5488 -6.467255 5.097666 
1 1 1    4   19    9 o   19.138   5.8761 5.213795 11.75213 
1 1 1    4   19   10 o  477.708   2.8082 -3.926422 5.616371 
1 1 1    4   19   11 o  295.747   2.1264 5.297638 4.252849 
1 1 1    4   19   12 o  453.396   3.4768 13.54901 6.953649 
1 1 1    4   19   13 o   41.739   6.4045 39.31836 12.80900 
1 1 1    4   19   14 o   19.490   6.5298 0.9819622 13.05952 
1 1 1    4   19   15 f  327.316   2.6770 40.13370 5.353923 
1 1 1    4   19   16 o  210.714   2.1900 2.770035 4.380052 
1 1 1    4   19   17 o  136.997   2.9893 -6.823593 5.978583 
1 1 1    4   19   18 o  263.676   2.3740 -6.992554 4.747913 
1 1 1    4   19   19 o  246.852   2.2758 -3.438400 4.551636 
1 1 1    4   19   20 o  153.082   3.0821 -0.2434845 6.164252 
1 1 1    4   19   21 o  145.352   3.2359 1.353027 6.471812 
1 1 1    4   19   22 o   42.177   9.4564 -12.42974 18.91288 
1 1 1    4   19   23 o  250.936   2.4254 2.602600 4.850880 
1 1 1    4   19   24 o   42.525   9.0350 8.878044 18.07002 
1 1 1    4   19   25 o  186.439   2.8310 10.43080 5.661933 
1 1 1    4   19   26 o  128.047   3.5898 -3.878822 7.179519 
1 1 1    4   19   27 o   96.216   4.7183 -5.470047 9.436604 
1 1 1    4   19   28 o   24.924   8.0188 -4.624716 16.03763 
1 1 1    4   19   29 o   22.686   7.5912 -4.294016 15.18242 
1 1 1    4   19   30 o  102.754   4.5250 -10.54792 9.049980 
1 1 1    4   19   31 f   32.437   9.1048 -16.46641 18.20963 
1 1 1    4   19   32 o   88.222   5.5529 5.449806 11.10577 
1 1 1    4   19   33 o   31.242   9.3882 -3.234217 18.77640 
1 1 1    4   19   34 o  145.797   3.4442 -24.73552 6.888327 
1 1 1    4   20    0 o  120.504   3.5720 0.000000 0.000000 
1 1 1    4   20    1 o  437.354   2.4785 -0.8795776 4.956949 
1 1 1    4   20    2 o  293.687   2.2276 6.235962 4.455181 
1 1 1    4   20    3 o  199.730   1.9799 12.16911 3.959778 
1 1 1    4   20    4 o  233.341   2.0250 -6.436600 4.049934 
1 1 1    4   20    5 o  285.972   1.9612 -4.604095 3.922427 
1 1 1    4   20    6 o  123.657   2.0953 -5.795563 4.190502 
1 1 1    4   20    7 o  229.690   1.7188 -6.124130 3.437620 
1 1 1    4   20    8 o  136.976   2.1580 -13.02576 4.316041 
1 1 1    4   20    9 o  365.733   2.3130 2.924408 4.626089 
1 1 1    4   20   10 o  413.830   2.5575 -6.523773 5.114956 
1 1 1    4   20   11 o  168.686   2.3245 13.30017 4.648911 
1 1 1    4   20   12 o  116.663   2.6775 -1.339905 5.354997 
1 1 1    4   20   13 o  229.040   2.2488 -10.27560 4.497599 
1 1 1    4   20   14 o  323.958   2.4547 -5.191132 4.909315 
1 1 1    4   20   15 f  304.741   2.2253 1.526459 4.450522 
1 1 1    4   20   16 o  250.611   2.9396 23.26639 5.879198 
1 1 1    4   20   17 o  246.485   2.2899 -4.716309 4.579835 
1 1 1    4   20   18 o  102.451   3.9200 -13.42241 7.839915 
1 1 1    4   20   19 o   97.235   4.2689 -2.620453 8.537850 
1 1 1    4   20   20 o  154.547   2.9614 0.8842621 5.922839 
1 1 1    4   20   21 o  142.837   3.1688 6.706238 6.337695 
1 1 1    4   20   22 o  245.799   2.4008 3.490433 4.801520 
1 1 1    4   20   23 o   18.783   6.5375 -1.159204 13.07493 
1 1 1    4   20   24 o   81.457   5.0508 -6.244423 10.10153 
1 1 1    4   20   25 o   96.526   4.4406 8.095665 8.881158 
1 1 1    4   20   26 o  102.287   4.2418 -1.539589 8.483607 
1 1 1    4   20   27 o  106.077   5.4481 53.99072 10.89623 
1 1 1    4   20   28 o   45.626   8.9027 11.38113 17.80550 
1 1 1    4   20   29 o  124.404   3.8224 4.074020 7.644785 
1 1 1    4   20   30 o   50.438   8.9380 16.23930 17.87598 
1 1 1    4   20   31 o   98.964   4.8766 0.5849686 9.753239 
1 1 1    4   20   32 o   52.980   9.0357 -18.63103 18.07146 
1 1 1    4   20   33 o   81.241   6.1285 -15.58806 12.25695 
1 1 1    4   20   34 o   32.027   9.1856 -16.23056 18.37122 
1 1 1    4   21    0 o  488.651   4.5830 0.000000 0.000000 
1 1 1    4   21    1 x  ?   ?       ?      ? 
1 1 1    4   21    2 o  332.291   2.0480 -2.544189 4.095918 
1 1 1    4   21    3 o  583.906   3.2206 1.615723 6.441292 
1 1 1    4   21    4 o  536.506   2.9780 -4.471008 5.955934 
1 1 1    4   21    5 o   35.657   7.4445 0.5768280 14.88902 
1 1 1    4   21    6 o  130.863   2.4068 -4.136276 4.813552 
1 1 1    4   21    7 o  264.292   2.3818 -5.993042 4.763506 
1 1 1    4   21    8 x  ?   ?       ?      ? 
1 1 1    4   21    9 o  143.676   2.9107 -11.41240 5.821340 
1 1 1    4   21   10 o  136.543   2.3451 -1.339508 4.690112 
1 1 1    4   21   11 o   71.552   4.7925 20.03451 9.585019 
1 1 1    4   21   12 o   80.752   5.3699 3.234711 10.73987 
1 1 1    4   21   13 o  392.112   2.4982 5.514313 4.996388 
1 1 1    4   21   14 o  606.024   3.5655 1.663879 7.131037 
1 1 1    4   21   15 o   85.766   4.7708 -16.44194 9.541624 
1 1 1    4   21   16 o  268.628   2.2312 -5.749847 4.462492 
1 1 1    4   21   17 o  210.078   2.3187 1.621582 4.637423 
1 1 1    4   21   18 o  106.746   3.6749 -4.703186 7.349767 
1 1 1    4   21   19 o   97.993   4.2318 3.226257 8.463669 
1 1 1    4   21   20 o  162.692   2.7857 1.183716 5.571382 
1 1 1    4   21   21 o   50.134   8.2257 -9.678505 16.45134 
1 1 1    4   21   22 o   61.924   6.6852 8.378239 13.37038 
1 1 1    4   21   23 o  115.690   3.6315 -0.7038040 7.263032 
1 1 1    4   21   24 o   48.765   8.1032 -17.17210 16.20631 
1 1 1    4   21   25 o   48.165   6.9002 48.34921 13.80035 
1 1 1    4   21   26 o  104.497   4.6854 18.18886 9.370739 
1 1 1    4   21   27 o   31.902   8.9251 -4.508183 17.85020 
1 1 1    4   21   28 o   36.257   8.6399 18.51646 17.27971 
1 1 1    4   21   29 o   36.339   10.096 -2.498894 20.19162 
1 1 1    4   21   30 o   60.632   7.7624 4.330387 15.52487 
1 1 1    4   21   31 o   89.969   5.3466 -15.72608 10.69313 
1 1 1    4   21   32 o   66.934   7.3618 -3.133896 14.72368 
1 1 1    4   21   33 o   26.083   8.4094 -10.44738 16.81875 
1 1 1    4   22    0 o  160.609   3.9084 0.000000 0.000000 
1 1 1    4   22    1 o  314.979   2.3159 3.708191 4.631846 
1 1 1    4   22    2 o  366.198   2.4780 2.343933 4.956084 
1 1 1    4   22    3 o  528.789   2.9783 2.978149 5.956594 
1 1 1    4   22    4 o  193.784   2.9074 -8.191391 5.814815 
1 1 1    4   22    5 o  161.141   3.1651 -8.496231 6.330219 
1 1 1    4   22    6 o  320.264   2.5432 -5.217865 5.086474 
1 1 1    4   22    7 o  169.878   2.1758 -0.1871185 4.351510 
1 1 1    4   22    8 o  232.703   2.0461 2.029449 4.092233 
1 1 1    4   22    9 o  276.272   2.0188 1.718140 4.037580 
1 1 1    4   22   10 o  176.823   2.5142 -6.859131 5.028305 
1 1 1    4   22   11 o   31.496   7.6507 -7.261473 15.30142 
1 1 1    4   22   12 o  156.799   2.7443 -4.501038 5.488550 
1 1 1    4   22   13 o  217.397   3.1599      ?      ? 
1 1 1    4   22   14 o   52.286   6.7003 10.75419 13.40064 
1 1 1    4   22   15 o   63.605   5.6889 5.722603 11.37784 
1 1 1    4   22   16 o  174.850   2.4306 1.480988 4.861251 
1 1 1    4   22   17 o   30.986   8.1601 12.22758 16.32013 
1 1 1    4   22   18 o   88.927   4.6318 16.52653 9.263664 
1 1 1    4   22   19 o  128.771   3.2510 3.886032 6.501904 
1 1 1    4   22   20 o   26.601   7.9194 10.97565 15.83871 
1 1 1    4   22   21 o   77.354   4.9813 3.890999 9.962650 
1 1 1    4   22   22 o   47.596   8.0467 -3.100086 16.09344 
1 1 1    4   22   23 o   35.003   9.6205 -6.682095 19.24109 
1 1 1    4   22   24 o   45.252   8.4326 -4.682220 16.86517 
1 1 1    4   22   25 o   26.856   8.6562 -3.013260 17.31233 
1 1 1    4   22   26 o  181.689   2.7062 -2.624969 5.412343 
1 1 1    4   22   27 o   71.380   6.5300 27.71167 13.05991 
1 1 1    4   22   28 o   61.313   6.8453 -3.815315 13.69054 
1 1 1    4   22   29 o   75.569   5.8161 2.818268 11.63215 
1 1 1    4   22   30 o   31.712   9.0952 2.895836 18.19042 
1 1 1    4   22   31 o   65.298   7.5490 -16.15771 15.09808 
1 1 1    4   22   32 f   26.228   8.3509 -17.16597 16.70183 
1 1 1    4   23    0 o   16.738   8.2037 0.000000 0.000000 
1 1 1    4   23    1 o  225.539   2.0710 2.202484 4.142025 
1 1 1    4   23    2 o  163.754   2.5827 -0.5848694E-01 5.165482 
1 1 1    4   23    3 o   92.741   3.9412 -10.43867 7.882455 
1 1 1    4   23    4 o   42.210   8.5108 -10.38619 17.02166 
1 1 1    4   23    5 o  412.520   2.8971 1.772583 5.794227 
1 1 1    4   23    6 o  466.833   2.8110 6.107544 5.621970 
1 1 1    4   23    7 o  373.727   3.9381      ?      ? 
1 1 1    4   23    8 o  304.589   2.2465 14.83099 4.493070 
1 1 1    4   23    9 o   45.828   7.6484 -6.858009 15.29690 
1 1 1    4   23   10 o  391.115   2.7974 -0.2710876 5.594806 
1 1 1    4   23   11 o  223.856   2.2589 0.9091187E-01 4.517869 
1 1 1    4   23   12 o  247.992   2.0704 10.83876 4.140839 
1 1 1    4   23   13 o  228.283   2.0634 -5.270203 4.126768 
1 1 1    4   23   14 o  283.705   2.1347 -1.558289 4.269358 
1 1 1    4   23   15 o  148.781   3.1533 6.076599 6.306537 
1 1 1    4   23   16 o  274.705   2.1489 -2.561646 4.297832 
1 1 1    4   23   17 o   80.573   4.6610 -13.15337 9.322047 
1 1 1    4   23   18 o  140.342   2.8705 -2.561584 5.740918 
1 1 1    4   23   19 o   73.546   5.1156 -3.063087 10.23118 
1 1 1    4   23   20 o   73.970   5.1227 -4.272278 10.24540 
1 1 1    4   23   21 o  112.424   3.4101 -4.807907 6.820148 
1 1 1    4   23   22 o   32.797   8.6517 -9.192560 17.30331 
1 1 1    4   23   23 o  152.956   2.7113 -7.405579 5.422580 
1 1 1    4   23   24 o   22.472   7.2282 9.022774 14.45640 
1 1 1    4   23   25 o   38.469   9.7953 -25.79425 19.59060 
1 1 1    4   23   26 o   62.098   7.2165 8.892822 14.43300 
1 1 1    4   23   27 o  105.530   3.9860 11.13479 7.971982 
1 1 1    4   23   28 o   41.567   8.8301 15.29137 17.66011 
1 1 1    4   23   29 o   76.071   5.9106 -0.1327667 11.82129 
1 1 1    4   23   30 f   45.450   9.6121 -5.125496 19.22419 
1 1 1    4   23   31 f   56.408   8.6736 -6.708984 17.34715 
1 1 1    4   23   32 o   27.989   8.7549 -16.18907 17.50988 
1 1 1    4   24    0 o  239.139   3.4344 0.000000 0.000000 
1 1 1    4   24    1 f  136.414   3.7071 30.68935 7.414290 
1 1 1    4   24    2 f  321.121   2.1741 -13.98187 4.348196 
1 1 1    4   24    3 o   45.204   6.6688 46.29870 13.33752 
1 1 1    4   24    4 o  158.969   2.6314 7.493652 5.262883 
1 1 1    4   24    5 o  293.713   2.0836 -2.546936 4.167237 
1 1 1    4   24    6 o   48.492   7.1795 6.973824 14.35897 
1 1 1    4   24    7 o  191.158   2.3543 -2.977722 4.708516 
1 1 1    4   24    8 o  521.002   2.9573 -4.292664 5.914625 
1 1 1    4   24    9 o  309.159   2.8051 12.80234 5.610244 
1 1 1    4   24   10 o  150.749   2.5539 12.49115 5.107793 
1 1 1    4   24   11 o  426.112   2.5307 3.707642 5.061302 
1 1 1    4   24   12 o   74.535   4.4593 3.898064 8.918633 
1 1 1    4   24   13 o  163.249   2.8797 -5.551636 5.759426 
1 1 1    4   24   14 o  131.852   2.8001 -5.162140 5.600166 
1 1 1    4   24   15 o  106.508   3.3208 -2.009766 6.641647 
1 1 1    4   24   16 o   82.496   4.2844 2.888420 8.568839 
1 1 1    4   24   17 f   62.087   5.7296 -5.848862 11.45921 
1 1 1    4   24   18 o  148.299   3.2168 6.131638 6.433588 
1 1 1    4   24   19 o   66.985   5.4077 4.272392 10.81542 
1 1 1    4   24   20 o   53.313   6.8600 -11.62179 13.72005 
1 1 1    4   24   21 o   22.502   7.1527 7.906027 14.30540 
1 1 1    4   24   22 o  124.495   3.1130 9.567070 6.225923 
1 1 1    4   24   23 o   67.046   5.6497 -5.431824 11.29949 
1 1 1    4   24   24 o   96.116   4.2852 -1.393364 8.570362 
1 1 1    4   24   25 o   76.607   6.9342 1.225647 13.86848 
1 1 1    4   24   26 o   76.385   5.5149 14.52299 11.02977 
1 1 1    4   24   27 o   52.535   8.2102 -0.2054024 16.42046 
1 1 1    4   24   28 f  100.031   4.3350 -5.163338 8.670005 
1 1 1    4   24   29 o   28.742   8.4413 9.596415 16.88253 
1 1 1    4   24   30 o   43.610   9.6108 -6.525387 19.22165 
1 1 1    4   24   31 o   45.066   9.4690 21.51067 18.93800 
1 1 1    4   25    0 o  588.299   4.4855 0.000000 0.000000 
1 1 1    4   25    1 o  212.317   2.2689 10.06676 4.537835 
1 1 1    4   25    2 f  146.470   3.0864 11.60233 6.172867 
1 1 1    4   25    3 o  212.153   2.2056 4.253052 4.411238 
1 1 1    4   25    4 o  225.506   2.5928 -0.7469177 5.185690 
1 1 1    4   25    5 o  209.607   2.6249 -29.61879 5.249761 
1 1 1    4   25    6 o   31.568   8.2546 -13.31722 16.50911 
1 1 1    4   25    7 o  267.787   2.0846 5.228302 4.169183 
1 1 1    4   25    8 o  161.857   2.3242 0.4225922 4.648483 
1 1 1    4   25    9 o  312.382   2.1276 0.4148254 4.255183 
1 1 1    4   25   10 o  173.833   2.2544 -7.405197 4.508754 
1 1 1    4   25   11 f  157.627   2.4329 -2.455307 4.865722 
1 1 1    4   25   12 o  126.520   2.7262 11.03791 5.452412 
1 1 1    4   25   13 o  223.785   2.0687 4.009567 4.137422 
1 1 1    4   25   14 o  227.558   2.1446 -2.019501 4.289227 
1 1 1    4   25   15 o   33.334   8.2476 -3.825745 16.49524 
1 1 1    4   25   16 o  189.574   2.3071 -3.846283 4.614122 
1 1 1    4   25   17 o  162.173   2.3606 -0.7341766 4.721199 
1 1 1    4   25   18 f  121.572   2.9438 -1.971436 5.887678 
1 1 1    4   25   19 o   56.894   6.1082 -17.40747 12.21649 
1 1 1    4   25   20 o   16.118   5.6407 2.621364 11.28137 
1 1 1    4   25   21 f   66.139   5.5304 0.4721909 11.06074 
1 1 1    4   25   22 o  180.115   2.8218 13.47606 5.643518 
1 1 1    4   25   23 f   20.269   6.8243 -3.010149 13.64853 
1 1 1    4   25   24 o   82.600   4.7619 11.60738 9.523844 
1 1 1    4   25   25 f   26.323   8.5055 -12.48974 17.01092 
1 1 1    4   25   26 o  128.217   3.3059 -0.7007370 6.611817 
1 1 1    4   25   27 o   29.386   8.6662 -2.528034 17.33239 
1 1 1    4   25   28 o   76.972   5.5938 11.71688 11.18756 
1 1 1    4   25   29 o   38.946   8.9504 -25.68242 17.90084 
1 1 1    4   25   30 o   34.704   9.2357 -11.62848 18.47142 
1 1 1    4   26    0 o   18.953   9.0976 0.000000 0.000000 
1 1 1    4   26    1 o  212.207   2.2664 5.116898 4.532785 
1 1 1    4   26    2 f  197.701   2.3014 1.426712 4.602811 
1 1 1    4   26    3 o   45.264   7.7711 -20.19570 15.54218 
1 1 1    4   26    4 o  106.717   3.5892 -7.632660 7.178446 
1 1 1    4   26    5 o   50.877   9.9164      ?      ? 
1 1 1    4   26    6 f  124.767   2.9750 -4.454834 5.950016 
1 1 1    4   26    7 o   43.039   7.4481 -22.61284 14.89616 
1 1 1    4   26    8 o  222.588   2.3159 -1.916290 4.631784 
1 1 1    4   26    9 o   89.061   3.9376 -9.674660 7.875233 
1 1 1    4   26   10 o  109.263   3.1029 -0.2229614 6.205791 
1 1 1    4   26   11 o   41.090   7.4167 19.51101 14.83332 
1 1 1    4   26   12 o   61.875   5.4113 3.475994 10.82256 
1 1 1    4   26   13 o  276.130   2.0724 3.841278 4.144833 
1 1 1    4   26   14 o   58.909   6.1116 -16.94581 12.22321 
1 1 1    4   26   15 o  124.561   2.7871 -3.867943 5.574100 
1 1 1    4   26   16 o   58.748   5.6132 -3.222782 11.22642 
1 1 1    4   26   17 o   96.320   3.4723 4.027634 6.944563 
1 1 1    4   26   18 o  176.053   2.2797 6.581253 4.559382 
1 1 1    4   26   19 o   80.063   4.1436 -10.43337 8.287103 
1 1 1    4   26   20 o   71.455   4.8104 -10.94075 9.620893 
1 1 1    4   26   21 o   80.149   4.5263 -16.58025 9.052617 
1 1 1    4   26   22 o   92.119   3.9576 0.8408737 7.915156 
1 1 1    4   26   23 o  112.856   3.4272 -7.507782 6.854465 
1 1 1    4   26   24 o   21.500   7.0810 -2.615347 14.16198 
1 1 1    4   26   25 o  125.762   4.4640 12.91480 8.928023 
1 1 1    4   26   26 o   25.485   7.9300 -8.497284 15.85990 
1 1 1    4   26   27 o   67.115   6.3810 -0.5021133 12.76209 
1 1 1    4   26   28 o   51.074   8.5959 -5.182636 17.19174 
1 1 1    4   26   29 o   31.648   9.1561 -0.7600098 18.31225 
1 1 1    4   27    0 o   56.171   10.696 0.000000 0.000000 
1 1 1    4   27    1 o   97.932   4.1960 -17.38908 8.392097 
1 1 1    4   27    2 o  190.522   2.3530 1.182144 4.706055 
1 1 1    4   27    3 o   51.568   8.4075 -23.04456 16.81500 
1 1 1    4   27    4 o   97.265   3.8892 -1.445580 7.778397 
1 1 1    4   27    5 o   28.482   7.9751 13.09390 15.95011 
1 1 1    4   27    6 o   19.312   6.5237 3.339527 13.04736 
1 1 1    4   27    7 o   67.483   5.7271 -19.42816 11.45420 
1 1 1    4   27    8 o   21.865   7.0268 1.893105 14.05365 
1 1 1    4   27    9 o   69.499   4.9201 -10.41528 9.840230 
1 1 1    4   27   10 o  152.303   2.3968 2.807220 4.793614 
1 1 1    4   27   11 o  118.077   2.8666 3.727127 5.733126 
1 1 1    4   27   12 o  102.476   3.2110 -1.332909 6.422080 
1 1 1    4   27   13 o  138.354   2.4841 3.709152 4.968266 
1 1 1    4   27   14 f   47.466   6.7426 19.15881 13.48525 
1 1 1    4   27   15 o   89.872   3.6270 -13.47062 7.254089 
1 1 1    4   27   16 o   23.187   7.0434 10.82448 14.08675 
1 1 1    4   27   17 o  150.695   2.3588 0.2682800 4.717662 
1 1 1    4   27   18 o   27.709   7.7632 0.3145790 15.52633 
1 1 1    4   27   19 o   38.322   6.1684 -39.37576 12.33677 
1 1 1    4   27   20 o  163.334   2.4473 -6.117142 4.894522 
1 1 1    4   27   21 o   69.258   5.2012 3.620117 10.40248 
1 1 1    4   27   22 o  125.206   2.9499 2.340538 5.899712 
1 1 1    4   27   23 o   57.333   6.3530 -5.603958 12.70603 
1 1 1    4   27   24 o   72.892   5.0220 11.22413 10.04400 
1 1 1    4   27   25 o   38.498   9.9896 -5.411488 19.97924 
1 1 1    4   27   26 o   85.876   4.9837 10.05036 9.967319 
1 1 1    4   27   27 o   40.236   8.9394 13.79458 17.87871 
1 1 1    4   27   28 o   30.407   8.7948 -8.652700 17.58961 
1 1 1    4   28    0 o   43.383   12.033 0.000000 0.000000 
1 1 1    4   28    1 o  116.917   3.3809 -0.9291611 6.761881 
1 1 1    4   28    2 o  256.996   2.1652 4.139038 4.330410 
1 1 1    4   28    3 o  175.537   2.4104 1.765182 4.820830 
1 1 1    4   28    4 o   71.082   5.2432 -4.276085 10.48638 
1 1 1    4   28    5 o  209.172   2.1551 4.724518 4.310220 
1 1 1    4   28    6 o  190.496   2.2366 0.3524780E-02 4.473137 
1 1 1    4   28    7 f   31.654   8.3426 1.175503 16.68519 
1 1 1    4   28    8 o   51.189   6.8974 -15.85671 13.79477 
1 1 1    4   28    9 o   52.925   6.6373 -15.59044 13.27454 
1 1 1    4   28   10 o   95.655   3.5431 -7.376343 7.086154 
1 1 1    4   28   11 o  113.542   2.9304 1.359055 5.860795 
1 1 1    4   28   12 o  110.663   2.9099 3.576317 5.819751 
1 1 1    4   28   13 o   18.886   6.2764 1.332500 12.55285 
1 1 1    4   28   14 o   57.159   5.6758 15.59862 11.35156 
1 1 1    4   28   15 o   79.770   3.8980 4.618172 7.796005 
1 1 1    4   28   16 o   69.453   4.5239 0.5857315 9.047715 
1 1 1    4   28   17 o  104.908   3.1616 -5.004784 6.323271 
1 1 1    4   28   18 o   67.501   5.4460 2.584160 10.89190 
1 1 1    4   28   19 o   28.054   7.2869 19.21451 14.57388 
1 1 1    4   28   20 o  144.218   2.5504 1.233047 5.100887 
1 1 1    4   28   21 o   21.232   6.9002 4.485685 13.80047 
1 1 1    4   28   22 o   56.687   6.3766 7.957764 12.75316 
1 1 1    4   28   23 o   69.647   5.2500 9.204849 10.49992 
1 1 1    4   28   24 o   42.231   7.0803 35.04128 14.16067 
1 1 1    4   28   25 o   96.936   4.8572 -3.559349 9.714366 
1 1 1    4   28   26 o   73.127   5.5097 -12.93021 11.01935 
1 1 1    4   28   27 o   75.958   5.0058 -2.327942 10.01168 
1 1 1    4   29    0 o   17.326   8.5253 0.000000 0.000000 
1 1 1    4   29    1 o   74.447   5.2941 14.96415 10.58830 
1 1 1    4   29    2 o   38.749   6.5392 -37.09776 13.07845 
1 1 1    4   29    3 o  111.261   3.4547 -11.91093 6.909369 
1 1 1    4   29    4 o  141.289   2.7159 -4.267944 5.431770 
1 1 1    4   29    5 o  180.293   2.2578 -1.441498 4.515629 
1 1 1    4   29    6 o   27.713   7.8215 9.529152 15.64290 
1 1 1    4   29    7 o   52.776   6.5157 11.86097 13.03146 
1 1 1    4   29    8 o  104.436   3.2356 3.979286 6.471256 
1 1 1    4   29    9 o   49.097   6.7312 -12.22926 13.46242 
1 1 1    4   29   10 o   90.580   3.5495 14.10431 7.098934 
1 1 1    4   29   11 o   64.475   4.8486 4.485001 9.697255 
1 1 1    4   29   12 o   17.313   5.9359 6.920405 11.87172 
1 1 1    4   29   13 o  159.254   2.1568 -0.6674042 4.313565 
1 1 1    4   29   14 o   35.249   6.7072 29.24178 13.41433 
1 1 1    4   29   15 f   83.007   3.8362 -11.35105 7.672359 
1 1 1    4   29   16 o  151.882   2.5082 8.429520 5.016416 
1 1 1    4   29   17 f   23.994   7.3258 5.111837 14.65169 
1 1 1    4   29   18 o   63.763   5.0298 13.16603 10.05965 
1 1 1    4   29   19 f   77.383   4.3061 -15.01202 8.612135 
1 1 1    4   29   20 o   25.296   7.3913 -7.797220 14.78250 
1 1 1    4   29   21 o  135.048   2.7382 -5.251526 5.476431 
1 1 1    4   29   22 o   54.245   7.4403 -24.90125 14.88061 
1 1 1    4   29   23 o  109.511   3.4013 0.6212997 6.802687 
1 1 1    4   29   24 o   87.152   4.4430 2.101776 8.886034 
1 1 1    4   29   25 o   24.821   7.8121 -1.246687 15.62417 
1 1 1    4   29   26 o   35.772   9.2045 -11.49831 18.40902 
1 1 1    4   30    0 o   29.841   11.080 0.000000 0.000000 
1 1 1    4   30    1 o  200.031   2.1895 0.9793549 4.379070 
1 1 1    4   30    2 o  111.202   3.3626 9.375359 6.725149 
1 1 1    4   30    3 o   67.047   5.2884 3.783173 10.57681 
1 1 1    4   30    4 o  171.009   2.2612 -6.918365 4.522483 
1 1 1    4   30    5 o  124.487   2.8300 7.934952 5.660091 
1 1 1    4   30    6 o  211.736   2.0506 -1.065796 4.101210 
1 1 1    4   30    7 o  148.793   2.3748 3.056442 4.749521 
1 1 1    4   30    8 o  159.089   2.2205 -2.178131 4.440998 
1 1 1    4   30    9 o   85.131   3.5889 12.08969 7.177798 
1 1 1    4   30   10 o   37.411   7.5744 -7.376972 15.14887 
1 1 1    4   30   11 o   16.932   5.8067 1.829704 11.61333 
1 1 1    4   30   12 o  164.687   2.1463 9.081863 4.292610 
1 1 1    4   30   13 x  ?   ?       ?      ? 
1 1 1    4   30   14 o  149.656   2.6254 5.501968 5.250775 
1 1 1    4   30   15 o   35.992   7.8412 -11.36085 15.68233 
1 1 1    4   30   16 o   51.912   6.3943 -15.10418 12.78869 
1 1 1    4   30   17 f   47.582   6.5173 32.22974 13.03459 
1 1 1    4   30   18 o   23.995   7.2925 -6.702143 14.58507 
1 1 1    4   30   19 o   32.671   7.4654 -16.28612 14.93071 
1 1 1    4   30   20 o  119.349   2.9441 -2.974785 5.888154 
1 1 1    4   30   21 o   21.654   6.9608 9.186132 13.92169 
1 1 1    4   30   22 o  107.975   3.7754 0.9677505 7.550843 
1 1 1    4   30   23 x  ?   ?       ?      ? 
1 1 1    4   30   24 o   21.467   6.9761 -12.62467 13.95225 
1 1 1    4   30   25 o   81.829   6.7738 -39.04068 13.54766 
1 1 1    4   31    0 o   60.157   8.9411 0.000000 0.000000 
1 1 1    4   31    1 o   65.477   5.2874 -4.792789 10.57490 
1 1 1    4   31    2 o  136.092   2.6248 -0.7007599 5.249635 
1 1 1    4   31    3 o   49.595   6.9278 7.044220 13.85559 
1 1 1    4   31    4 o  132.363   2.6788 4.334793 5.357674 
1 1 1    4   31    5 o  147.804   2.3884 2.466339 4.776822 
1 1 1    4   31    6 o   21.676   6.9240 -1.798723 13.84793 
1 1 1    4   31    7 o  162.567   2.2310 5.355515 4.462036 
1 1 1    4   31    8 o   33.421   7.7950 -6.144661 15.58999 
1 1 1    4   31    9 o  118.685   2.7013 0.5513916 5.402661 
1 1 1    4   31   10 o   30.919   7.6394 12.17817 15.27875 
1 1 1    4   31   11 o   48.765   6.6880 -5.371857 13.37599 
1 1 1    4   31   12 o   29.809   7.5601 -15.01851 15.12018 
1 1 1    4   31   13 o   93.064   3.4857 14.68405 6.971372 
1 1 1    4   31   14 o   99.855   3.2736 -0.2786484 6.547137 
1 1 1    4   31   15 o   70.082   4.5219 4.218079 9.043773 
1 1 1    4   31   16 o   42.552   7.4058 -6.375362 14.81168 
1 1 1    4   31   17 o  110.317   3.1760 2.981003 6.351977 
1 1 1    4   31   18 o   24.770   7.3882 -5.116541 14.77648 
1 1 1    4   31   19 o  119.077   2.8790 0.1831055E-02 5.757959 
1 1 1    4   31   20 o   30.032   7.9283 10.31352 15.85664 
1 1 1    4   31   21 o   22.516   7.1650 -2.734972 14.32991 
1 1 1    4   31   22 o   75.804   4.8686 2.368073 9.737197 
1 1 1    4   31   23 o   45.512   8.0112 -21.12555 16.02248 
1 1 1    4   31   24 x  ?   ?       ?      ? 
1 1 1    4   32    0 o   43.892   10.755 0.000000 0.000000 
1 1 1    4   32    1 o   84.291   3.9188 -2.347984 7.837543 
1 1 1    4   32    2 o  102.102   3.3531 0.4368744 6.706149 
1 1 1    4   32    3 o   53.414   6.4222 23.14421 12.84430 
1 1 1    4   32    4 o  102.816   3.2331 -7.705986 6.466157 
1 1 1    4   32    5 o   19.838   6.7155 1.378096 13.43092 
1 1 1    4   32    6 x  ?   ?       ?      ? 
1 1 1    4   32    7 x  ?   ?       ?      ? 
1 1 1    4   32    8 o   80.418   5.9143      ?      ? 
1 1 1    4   32    9 o   40.997   7.8266 -13.07916 15.65320 
1 1 1    4   32   10 o   25.272   7.4971 5.227978 14.99421 
1 1 1    4   32   11 o   43.546   7.1048 -16.26155 14.20965 
1 1 1    4   32   12 o  131.645   2.5857 0.1970367 5.171382 
1 1 1    4   32   13 o   35.034   7.8110 -1.459949 15.62206 
1 1 1    4   32   14 f   19.339   6.3487 -9.083945 12.69734 
1 1 1    4   32   15 o   75.395   5.0936 1.575363 10.18728 
1 1 1    4   32   16 o   30.554   8.0141 1.710529 16.02825 
1 1 1    4   32   17 o   41.607   7.8010 -2.654987 15.60201 
1 1 1    4   32   18 o   30.701   8.0067 -3.386114 16.01334 
1 1 1    4   32   19 o   23.331   7.2468 8.335627 14.49364 
1 1 1    4   32   20 o   25.306   7.5280 -8.219006 15.05599 
1 1 1    4   32   21 o   53.377   7.7103 -10.69313 15.42053 
1 1 1    4   32   22 o   28.660   8.2395 -2.717979 16.47900 
1 1 1    4   33    0 o   68.165   6.4176 0.000000 0.000000 
1 1 1    4   33    1 o   88.197   3.9707 -10.74873 7.941370 
1 1 1    4   33    2 o   91.067   6.4490 -90.10298 12.89792 
1 1 1    4   33    3 o   67.339   5.3995 -14.79995 10.79898 
1 1 1    4   33    4 o   48.813   6.9398 -14.98486 13.87951 
1 1 1    4   33    5 o   87.477   4.1941 10.58106 8.388191 
1 1 1    4   33    6 o   61.302   5.5399 -6.485714 11.07972 
1 1 1    4   33    7 o   63.209   6.7427 -5.339508 13.48533 
1 1 1    4   33    8 o   39.340   7.7209 7.791534 15.44187 
1 1 1    4   33    9 o   39.900   7.5100 15.59376 15.01991 
1 1 1    4   33   10 o  104.139   3.1140 8.490685 6.227944 
1 1 1    4   33   11 o   35.294   8.0047 -1.478020 16.00943 
1 1 1    4   33   12 o   28.694   7.1755 20.12483 14.35094 
1 1 1    4   33   13 o  131.516   2.7207 6.923615 5.441339 
1 1 1    4   33   14 o   18.484   6.2421 -2.927677 12.48419 
1 1 1    4   33   15 o  120.736   2.9561 9.297653 5.912207 
1 1 1    4   33   16 o   95.608   3.6044 -6.469452 7.208849 
1 1 1    4   33   17 o   30.195   8.0724 6.477278 16.14474 
1 1 1    4   33   18 o   68.008   5.1486 5.397530 10.29728 
1 1 1    4   33   19 o   24.209   7.5879 -0.5963821 15.17577 
1 1 1    4   33   20 o   68.709   5.5843 16.38298 11.16856 
1 1 1    4   33   21 x  ?   ?       ?      ? 
1 1 1    4   34    0 o  113.421   4.1950 0.000000 0.000000 
1 1 1    4   34    1 o   43.751   7.6604 -2.304707 15.32079 
1 1 1    4   34    2 o  131.091   2.6748 0.4582062 5.349655 
1 1 1    4   34    3 o   88.385   3.8532 -6.518433 7.706352 
1 1 1    4   34    4 o   60.613   6.0827 12.44035 12.16544 
1 1 1    4   34    5 o   26.128   7.3395 15.05368 14.67892 
1 1 1    4   34    6 o   77.133   4.2533 -4.938164 8.506546 
1 1 1    4   34    7 o   47.666   6.8615 22.09486 13.72310 
1 1 1    4   34    8 o   30.957   8.7054 7.256266 17.41087 
1 1 1    4   34    9 o  137.263   2.5574 -6.656860 5.114857 
1 1 1    4   34   10 o   29.725   7.7602 14.77074 15.52041 
1 1 1    4   34   11 o   28.256   7.8554 2.802582 15.71074 
1 1 1    4   34   12 o   21.786   6.9261 6.548027 13.85229 
1 1 1    4   34   13 o  106.210   3.2274 -12.56255 6.454768 
1 1 1    4   34   14 o   58.211   5.8766 -7.400536 11.75313 
1 1 1    4   34   15 o  127.809   2.8489 1.332497 5.697881 
1 1 1    4   34   16 o   24.922   7.5992 0.4419327 15.19838 
1 1 1    4   34   17 o   67.588   5.3477 -14.93933 10.69542 
1 1 1    4   34   18 o   72.829   4.9993 -2.023567 9.998563 
1 1 1    4   34   19 o  102.491   5.3588 13.15809 10.71765 
1 1 1    4   35    0 o   55.128   9.3729 0.000000 0.000000 
1 1 1    4   35    1 o   25.240   7.2941 -9.337234 14.58820 
1 1 1    4   35    2 o   25.601   7.6043 -0.9117222 15.20864 
1 1 1    4   35    3 o   32.549   8.0867 1.911205 16.17332 
1 1 1    4   35    4 o  140.680   2.5304 -10.56682 5.060825 
1 1 1    4   35    5 o   79.128   4.2024 1.529465 8.404825 
1 1 1    4   35    6 o   16.535   5.7492 -0.9504318E-01 11.49848 
1 1 1    4   35    7 o   45.317   7.3633 10.65188 14.72669 
1 1 1    4   35    8 o   96.632   3.4936 1.967316 6.987228 
1 1 1    4   35    9 o   20.013   6.6203 4.510233 13.24061 
1 1 1    4   35   10 o  106.191   4.1144 2.929337 8.228840 
1 1 1    4   35   11 o   49.223   7.1207 -12.71246 14.24148 
1 1 1    4   35   12 o   82.319   4.2335 -3.877739 8.467010 
1 1 1    4   35   13 o   98.229   3.5999 -16.60345 7.199896 
1 1 1    4   35   14 o   56.286   6.4086 -11.55194 12.81713 
1 1 1    4   35   15 o   22.694   7.2568 -1.675299 14.51350 
1 1 1    4   35   16 o   28.274   8.0843 -4.405233 16.16860 
1 1 1    4   35   17 x  ?   ?       ?      ? 
1 1 1    4   36    0 o   93.574   6.0969 0.000000 0.000000 
1 1 1    4   36    1 o   67.581   5.1675 12.98958 10.33501 
1 1 1    4   36    2 o   33.587   8.1146 -8.925928 16.22929 
1 1 1    4   36    3 o   26.691   7.6551 10.36047 15.31020 
1 1 1    4   36    4 o   29.915   8.0895 4.415901 16.17899 
1 1 1    4   36    5 o   21.686   6.9671 6.207512 13.93421 
1 1 1    4   36    6 o   24.136   7.3305 -8.317602 14.66108 
1 1 1    4   36    7 o   24.811   7.7079 1.142771 15.41576 
1 1 1    4   36    8 o   55.978   6.3679 11.23636 12.73574 
1 1 1    4   36    9 o   55.391   6.3628 -0.4969673 12.72567 
1 1 1    4   36   10 o   65.750   5.3725 -8.011810 10.74496 
1 1 1    4   36   11 o   57.522   6.3597 -5.471966 12.71948 
1 1 1    4   36   12 o   32.676   8.1444 -12.70378 16.28879 
1 1 1    4   36   13 o   32.300   8.6214 0.5674515 17.24278 
1 1 1    4   36   14 o   31.363   8.3742 -11.74949 16.74835 
1 1 1    4   37    0 o   23.671   10.281 0.000000 0.000000 
1 1 1    4   37    1 o   40.010   7.8616 24.39639 15.72325 
1 1 1    4   37    2 f   40.719   8.3499 -3.982899 16.69977 
1 1 1    4   37    3 o   49.614   7.0949 16.43035 14.18987 
1 1 1    4   37    4 o   21.575   6.9702 -5.739098 13.94045 
1 1 1    4   37    5 o   64.564   5.7652 -13.74717 11.53039 
1 1 1    4   37    6 o   25.120   7.6576 4.396276 15.31511 
1 1 1    4   37    7 o   42.914   7.7243 19.14395 15.44864 
1 1 1    4   37    8 o   49.960   7.4603 4.765301 14.92068 
1 1 1    4   37    9 o   53.435   6.5081 0.1574669 13.01621 
1 1 1    4   37   10 o   34.953   8.2003 -2.042343 16.40063 
1 1 1    4   37   11 o   44.150   7.4571 30.43267 14.91429 
1 1 1    4   37   12 x  ?   ?       ?      ? 
1 1 1    4   38    0 o   22.976   10.526 0.000000 0.000000 
1 1 1    4   38    1 o   24.556   7.5627 7.491749 15.12535 
1 1 1    4   38    2 o   54.989   6.4998 13.88676 12.99954 
1 1 1    4   38    3 o   27.979   8.0361 4.812840 16.07221 
1 1 1    4   38    4 o   21.044   6.8585 -1.046988 13.71709 
1 1 1    4   38    5 f   23.899   7.3497 -1.444653 14.69937 
1 1 1    4   38    6 o   40.342   8.1541 -0.8055687 16.30821 
1 1 1    4   38    7 o   30.942   7.4714 -16.63366 14.94270 
1 1 1    4   38    8 x  ?   ?       ?      ? 
1 1 1    5    0    1 o   63.802   1.2415 0.000000 0.000000 
1 1 1    5    0    2 o  729.562   5.3937 0.000000 0.000000 
1 1 1    5    0    3 o  120.760   1.7484 0.000000 0.000000 
1 1 1    5    0    4 o  1117.11   8.2575 0.000000 0.000000 
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1 1 1    5    4   24 o  293.855   5.3904      ?      ? 
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1 1 1    5    6   34 o  171.601   3.3635 1.224411 6.727000 
1 1 1    5    6   35 o   32.606   9.7156 1.582758 19.43114 
1 1 1    5    6   36 o   41.954   10.127 9.525669 20.25473 
1 1 1    5    6   37 o   33.135   10.054 -6.206976 20.10720 
1 1 1    5    6   38 o   35.189   9.9673 -3.013660 19.93469 
1 1 1    5    6   39 o   84.096   7.6505 -39.11044 15.30106 
1 1 1    5    7    0 o  552.852   5.0222 0.000000 0.000000 
1 1 1    5    7    1 o  423.211   2.2329 4.244080 4.465853 
1 1 1    5    7    2 o  585.651   3.0864 0.6271973 6.172716 
1 1 1    5    7    3 o  511.381   3.1038 2.443451 6.207628 
1 1 1    5    7    4 o  202.110   1.5593 -4.272339 3.118549 
1 1 1    5    7    5 o  809.035   4.8901 -9.582397 9.780160 
1 1 1    5    7    6 o  422.820   2.3199 -4.925293 4.639784 
1 1 1    5    7    7 o  623.433   3.2820 0.4146118 6.563993 
1 1 1    5    7    8 o  359.947   1.9447 -0.1542358 3.889351 
1 1 1    5    7    9 o  179.381   1.2762 -0.3880920 2.552436 
1 1 1    5    7   10 o  158.665   1.3426 -1.743057 2.685295 
1 1 1    5    7   11 o   34.961   4.8422 -1.434772 9.684473 
1 1 1    5    7   12 o  401.434   2.2518 3.567169 4.503617 
1 1 1    5    7   13 o  309.360   1.8439 7.689575 3.687777 
1 1 1    5    7   14 o   65.239   3.2425 3.722641 6.485025 
1 1 1    5    7   15 o  173.102   1.7673 -0.1649017 3.534673 
1 1 1    5    7   16 o  370.889   2.4874 4.679626 4.974837 
1 1 1    5    7   17 o  444.957   2.5396 8.497711 5.079131 
1 1 1    5    7   18 o  531.622   2.9736 -0.6562500 5.947260 
1 1 1    5    7   19 o  639.154   3.6912 -0.4841309 7.382335 
1 1 1    5    7   20 o   23.750   7.6465 0.3080082 15.29299 
1 1 1    5    7   21 o  457.694   2.6627 -4.225586 5.325408 
1 1 1    5    7   22 o   97.368   5.9820 -7.298340 11.96396 
1 1 1    5    7   23 o  176.442   3.4065 -2.834106 6.813042 
1 1 1    5    7   24 o  376.080   2.5671 -4.786469 5.134183 
1 1 1    5    7   25 o  241.464   3.1423 8.888748 6.284604 
1 1 1    5    7   26 o  255.331   2.7570 -2.234161 5.513915 
1 1 1    5    7   27 o  132.370   5.0242 -16.27009 10.04846 
1 1 1    5    7   28 o   82.449   7.0398 -3.361542 14.07969 
1 1 1    5    7   29 o   66.247   9.3416 14.93376 18.68323 
1 1 1    5    7   30 o   59.933   10.616 -0.1056976 21.23205 
1 1 1    5    7   31 o   95.564   5.5134 -4.819016 11.02676 
1 1 1    5    7   32 o  119.474   4.4351 -1.133583 8.870256 
1 1 1    5    7   33 o  171.038   3.7692 -5.265884 7.538424 
1 1 1    5    7   34 o  158.842   3.6320 -7.713074 7.264004 
1 1 1    5    7   35 o   23.105   7.8684 -3.530725 15.73683 
1 1 1    5    7   36 o   54.536   9.9578 14.51870 19.91557 
1 1 1    5    7   37 o   36.132   10.112 8.006943 20.22476 
1 1 1    5    7   38 o   73.499   6.9654 -17.14985 13.93072 
1 1 1    5    7   39 o   20.211   6.9145 5.100666 13.82900 
1 1 1    5    8    0 o  492.706   3.6692 0.000000 0.000000 
1 1 1    5    8    1 o  911.860   4.7800 3.040161 9.559930 
1 1 1    5    8    2 o  187.163   1.1281 -6.229767 2.256168 
1 1 1    5    8    3 o  467.150   2.8448 -3.389801 5.689608 
1 1 1    5    8    4 o  597.240   3.6200 0.7197266 7.239989 
1 1 1    5    8    5 o  482.539   2.9447 0.4011536 5.889408 
1 1 1    5    8    6 o  201.016   1.4646 1.518723 2.929278 
1 1 1    5    8    7 o  706.958   3.7199 5.258789 7.439842 
1 1 1    5    8    8 o  595.052   3.1394 -1.242798 6.278720 
1 1 1    5    8    9 o  265.354   1.6512 -6.547394 3.302398 
1 1 1    5    8   10 o  403.140   2.1732 0.4930420 4.346479 
1 1 1    5    8   11 o  275.633   1.6158 0.9479370 3.231545 
1 1 1    5    8   12 f  208.500   1.6628 -6.715729 3.325504 
1 1 1    5    8   13 o  408.151   2.2999 -0.2753906 4.599761 
1 1 1    5    8   14 o  467.575   3.2055      ?      ? 
1 1 1    5    8   15 o  248.760   1.7192 0.1845856 3.438461 
1 1 1    5    8   16 o  180.819   1.8528 -1.699005 3.705681 
1 1 1    5    8   17 o  544.963   3.0326 4.209595 6.065251 
1 1 1    5    8   18 o  292.103   2.0291 -1.217041 4.058131 
1 1 1    5    8   19 o  442.568   2.5752 -3.106415 5.150416 
1 1 1    5    8   20 f  451.464   2.6386 -1.525208 5.277272 
1 1 1    5    8   21 o   83.429   5.5197 -2.370094 11.03948 
1 1 1    5    8   22 o   34.885   9.6147 1.132530 19.22934 
1 1 1    5    8   23 o  208.372   3.3522 -9.485794 6.704331 
1 1 1    5    8   24 o  107.279   5.2462 5.346321 10.49246 
1 1 1    5    8   25 o  359.303   2.7774 -6.908508 5.554774 
1 1 1    5    8   26 o  150.911   3.9917 5.949371 7.983361 
1 1 1    5    8   27 o  171.811   3.4853 -5.059509 6.970544 
1 1 1    5    8   28 o   88.676   8.5056 -20.59940 17.01112 
1 1 1    5    8   29 o  179.511   3.5118 -1.156052 7.023647 
1 1 1    5    8   30 o  109.388   4.8534 -0.6930695 9.706831 
1 1 1    5    8   31 o   38.613   10.504 -5.282940 21.00879 
1 1 1    5    8   32 o   41.289   10.362 -3.264660 20.72419 
1 1 1    5    8   33 o  138.854   4.9909 8.336502 9.981897 
1 1 1    5    8   34 x  ?   ?       ?      ? 
1 1 1    5    8   35 o   94.437   5.8056 11.21514 11.61128 
1 1 1    5    8   36 o   29.836   9.3077 0.7284775 18.61547 
1 1 1    5    8   37 o   53.037   9.9545 14.67415 19.90910 
1 1 1    5    8   38 o   25.451   8.2977 1.336317 16.59534 
1 1 1    5    9    0 o  455.536   4.1465 0.000000 0.000000 
1 1 1    5    9    1 o  188.859   1.1578 -3.294067 2.315513 
1 1 1    5    9    2 o  932.519   4.9000 -9.579041 9.799975 
1 1 1    5    9    3 o  461.055   2.8150 -3.757141 5.629953 
1 1 1    5    9    4 o  308.301   1.9485 -2.123779 3.896999 
1 1 1    5    9    5 o   89.826   1.7181 -0.2136917 3.436277 
1 1 1    5    9    6 o  232.859   1.6105 0.5223999 3.220954 
1 1 1    5    9    7 o  222.459   1.5342 0.2638397 3.068371 
1 1 1    5    9    8 o  517.000   2.7404 -1.899170 5.480865 
1 1 1    5    9    9 o  316.324   1.7575 2.427979 3.515009 
1 1 1    5    9   10 o  113.723   1.4893 -2.151649 2.978627 
1 1 1    5    9   11 o   32.422   5.0532 7.043930 10.10632 
1 1 1    5    9   12 o  381.320   2.4015 -1.505951 4.803087 
1 1 1    5    9   13 o  227.285   1.6309 -4.907822 3.261805 
1 1 1    5    9   14 o  341.678   2.0072 7.246399 4.014377 
1 1 1    5    9   15 o  352.722   2.0814 -0.3237915 4.162896 
1 1 1    5    9   16 o  284.659   1.9901 -1.007843 3.980186 
1 1 1    5    9   17 o  312.715   2.0493 -3.543030 4.098691 
1 1 1    5    9   18 o  417.093   2.4548 4.009644 4.909667 
1 1 1    5    9   19 o  659.780   3.6354 8.253967 7.270831 
1 1 1    5    9   20 o  197.045   2.3390 -7.775085 4.678090 
1 1 1    5    9   21 o  158.211   2.9578 1.089737 5.915664 
1 1 1    5    9   22 o  249.776   2.6485 -9.071167 5.297088 
1 1 1    5    9   23 o  318.063   2.4618 -8.140839 4.923660 
1 1 1    5    9   24 o  136.468   5.0929 32.06877 10.18579 
1 1 1    5    9   25 o  160.967   3.7893 2.424835 7.578659 
1 1 1    5    9   26 o  124.105   5.5567 4.984428 11.11350 
1 1 1    5    9   27 o   80.450   7.0337 2.260948 14.06742 
1 1 1    5    9   28 o  166.469   3.6723 6.173737 7.344567 
1 1 1    5    9   29 o  178.237   3.4261 11.16473 6.852123 
1 1 1    5    9   30 o  163.603   3.4351 3.532379 6.870288 
1 1 1    5    9   31 o   74.491   6.9991 7.525093 13.99818 
1 1 1    5    9   32 o  140.033   4.2802 -11.75642 8.560380 
1 1 1    5    9   33 o   76.044   7.1693 3.628784 14.33855 
1 1 1    5    9   34 o   36.145   9.3329 -21.23275 18.66573 
1 1 1    5    9   35 o   33.789   9.8143 1.750324 19.62852 
1 1 1    5    9   36 o  113.483   4.8074 -4.849991 9.614899 
1 1 1    5    9   37 o   48.832   10.365 -1.972603 20.72903 
1 1 1    5    9   38 o   29.139   8.8893 2.489756 17.77859 
1 1 1    5   10    0 o  250.440   1.9952 0.000000 0.000000 
1 1 1    5   10    1 o  113.893   1.2935 1.228577 2.587045 
1 1 1    5   10    2 o  448.567   2.4573 -3.822876 4.914599 
1 1 1    5   10    3 o  434.864   2.6653 -0.5231628 5.330528 
1 1 1    5   10    4 o  476.897   2.9145 5.685089 5.829028 
1 1 1    5   10    5 o  217.410   1.5423 -2.233734 3.084570 
1 1 1    5   10    6 o  875.307   5.2984 -4.676819 10.59677 
1 1 1    5   10    7 o  156.849   1.5031 0.3769531 3.006250 
1 1 1    5   10    8 o  448.508   2.3952 4.167114 4.790371 
1 1 1    5   10    9 o   50.545   2.6254 5.842880 5.250819 
1 1 1    5   10   10 o  121.603   1.6747 -0.9602432 3.349366 
1 1 1    5   10   11 o  161.566   1.3741 2.663696 2.748296 
1 1 1    5   10   12 o  146.786   1.5666 8.435654 3.133268 
1 1 1    5   10   13 o  339.015   1.9761 6.996643 3.952146 
1 1 1    5   10   14 o  335.599   1.9997 -4.624420 3.999308 
1 1 1    5   10   15 o  110.137   2.3640 2.705086 4.728074 
1 1 1    5   10   16 o  279.150   1.8975 1.666931 3.794927 
1 1 1    5   10   17 o  706.054   3.8635 9.234009 7.726922 
1 1 1    5   10   18 o  302.529   2.0537 -2.876160 4.107324 
1 1 1    5   10   19 o  269.518   2.0577 -2.299438 4.115389 
1 1 1    5   10   20 o  141.407   3.5239 -25.23854 7.047807 
1 1 1    5   10   21 o  509.930   2.9571 3.717377 5.914256 
1 1 1    5   10   22 o  316.006   2.6633 2.317108 5.326690 
1 1 1    5   10   23 o  269.355   3.0174 -2.789154 6.034856 
1 1 1    5   10   24 o  179.284   3.9367 -4.074646 7.873368 
1 1 1    5   10   25 o  314.729   2.5451 -1.450165 5.090239 
1 1 1    5   10   26 o  201.954   3.0720 -3.023346 6.144047 
1 1 1    5   10   27 o  274.417   2.6457 -3.077332 5.291311 
1 1 1    5   10   28 o   89.082   6.8844 -39.56962 13.76886 
1 1 1    5   10   29 o   81.640   6.8486 -7.751991 13.69717 
1 1 1    5   10   30 o   30.638   9.3897 -17.55621 18.77937 
1 1 1    5   10   31 o   60.592   9.1086 8.623024 18.21725 
1 1 1    5   10   32 o  114.269   4.8243 -2.347557 9.648663 
1 1 1    5   10   33 o  103.156   4.9679 11.71816 9.935845 
1 1 1    5   10   34 o   40.656   9.9053 -12.32756 19.81052 
1 1 1    5   10   35 o   36.855   9.6435 -19.60265 19.28694 
1 1 1    5   10   36 o   24.994   8.3656 2.384434 16.73119 
1 1 1    5   10   37 o   55.165   9.9811 -3.355930 19.96212 
1 1 1    5   10   38 o   26.565   8.3835 -0.2053585 16.76701 
1 1 1    5   11    0 o  193.316   2.1445 0.000000 0.000000 
1 1 1    5   11    1 o  179.894   1.2394 -1.044250 2.478889 
1 1 1    5   11    2 o   29.873   4.1788 15.53446 8.357525 
1 1 1    5   11    3 o  371.530   2.0676 -2.240021 4.135265 
1 1 1    5   11    4 o  297.279   2.1287 6.578217 4.257332 
1 1 1    5   11    5 o  227.301   1.6136 -1.282898 3.227230 
1 1 1    5   11    6 o  254.041   1.7359 -0.9946136 3.471728 
1 1 1    5   11    7 o  411.789   2.5555 -2.061401 5.110913 
1 1 1    5   11    8 o  291.788   2.0243 -8.919098 4.048511 
1 1 1    5   11    9 o  136.335   1.3009 5.718964 2.601761 
1 1 1    5   11   10 o  310.604   1.7533 3.251007 3.506687 
1 1 1    5   11   11 f  393.809   2.3044 3.576782 4.608852 
1 1 1    5   11   12 o  524.710   2.7930 3.348083 5.586000 
1 1 1    5   11   13 o   95.076   2.3729 2.020653 4.745843 
1 1 1    5   11   14 o  364.670   2.4410 3.794495 4.882083 
1 1 1    5   11   15 o  345.648   2.1984 1.537872 4.396884 
1 1 1    5   11   16 o  454.871   2.6022 -4.724823 5.204390 
1 1 1    5   11   17 o  196.704   1.9619 -1.754852 3.923885 
1 1 1    5   11   18 o  643.466   3.5493 -0.3881226 7.098557 
1 1 1    5   11   19 o  200.000   2.3347 8.920090 4.669497 
1 1 1    5   11   20 o  413.929   2.5542 -1.190552 5.108468 
1 1 1    5   11   21 o  167.818   2.9745 -13.97086 5.948936 
1 1 1    5   11   22 f  153.303   3.6920 -20.08101 7.383989 
1 1 1    5   11   23 o  247.355   2.5708 0.1737976E-01 5.141527 
1 1 1    5   11   24 o  338.108   2.5132 -7.194031 5.026483 
1 1 1    5   11   25 o  153.912   3.6563 13.89287 7.312674 
1 1 1    5   11   26 o   97.653   6.8248 -38.81657 13.64950 
1 1 1    5   11   27 o  100.038   5.7319 -3.447304 11.46376 
1 1 1    5   11   28 o   67.074   9.7581 -1.046814 19.51624 
1 1 1    5   11   29 o  108.550   4.9534 -0.7147217 9.906720 
1 1 1    5   11   30 o   95.938   5.4416 4.205566 10.88330 
1 1 1    5   11   31 o   50.048   10.050 -6.008301 20.10060 
1 1 1    5   11   32 o  168.516   3.3638 -5.003754 6.727677 
1 1 1    5   11   33 o   43.242   10.315 -3.747303 20.63033 
1 1 1    5   11   34 f   68.670   8.7084 -41.82163 17.41682 
1 1 1    5   11   35 o   98.405   5.2868 -1.390984 10.57358 
1 1 1    5   11   36 o   38.354   10.384 1.488102 20.76765 
1 1 1    5   11   37 o   32.702   9.6922 -4.649195 19.38449 
1 1 1    5   11   38 o   21.154   7.2107 -4.814695 14.42136 
1 1 1    5   12    0 o  791.023   6.7710 0.000000 0.000000 
1 1 1    5   12    1 o  144.537   1.2662 -4.171616 2.532357 
1 1 1    5   12    2 o  346.161   2.1574 -7.854767 4.314865 
1 1 1    5   12    3 o  295.765   1.7029 2.930664 3.405762 
1 1 1    5   12    4 o  387.387   2.4685 -4.593536 4.936945 
1 1 1    5   12    5 o  276.205   1.8325 0.4576416 3.665063 
1 1 1    5   12    6 o  234.912   1.6773 -6.462585 3.354678 
1 1 1    5   12    7 o  428.812   2.6581 -2.302216 5.316169 
1 1 1    5   12    8 o  500.516   2.6700 10.52603 5.339955 
1 1 1    5   12    9 o  358.575   2.1343 -0.3574524 4.268559 
1 1 1    5   12   10 o  135.090   1.3778 1.241714 2.755500 
1 1 1    5   12   11 o  177.407   1.4302 1.578354 2.860412 
1 1 1    5   12   12 o  200.380   1.4771 7.574844 2.954262 
1 1 1    5   12   13 o  257.489   1.6506 -0.8630066 3.301190 
1 1 1    5   12   14 o  216.754   1.6987 -8.788086 3.397415 
1 1 1    5   12   15 o  686.383   3.7542 5.458618 7.508462 
1 1 1    5   12   16 o  445.020   2.5529 5.248291 5.105778 
1 1 1    5   12   17 o  320.663   2.0671 0.1245117E-01 4.134148 
1 1 1    5   12   18 o  517.396   2.9325 1.578491 5.865013 
1 1 1    5   12   19 o  197.711   2.9544 3.019089 5.908781 
1 1 1    5   12   20 o  123.183   4.1248 -15.93613 8.249644 
1 1 1    5   12   21 o  125.285   4.7538 28.88383 9.507628 
1 1 1    5   12   22 o  230.682   2.6372 -2.686142 5.274501 
1 1 1    5   12   23 o  298.623   2.5891 -3.065186 5.178185 
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1 1 1    5   12   26 o   98.148   6.2071 -4.738380 12.41419 
1 1 1    5   12   27 o  202.631   2.9830 -4.412888 5.966001 
1 1 1    5   12   28 o  225.592   2.9748 -5.901138 5.949668 
1 1 1    5   12   29 o   80.297   6.4927 3.576965 12.98536 
1 1 1    5   12   30 o  137.820   3.8186 -8.839584 7.637246 
1 1 1    5   12   31 o  150.227   3.6662 15.90045 7.332430 
1 1 1    5   12   32 o   86.153   6.2629 8.398834 12.52575 
1 1 1    5   12   33 o  108.407   4.8651 2.331841 9.730179 
1 1 1    5   12   34 f   27.910   8.8723 -4.435888 17.74453 
1 1 1    5   12   35 o   58.781   9.4386 5.023239 18.87724 
1 1 1    5   12   36 o   39.382   10.291 -0.8963966 20.58141 
1 1 1    5   12   37 o   49.266   9.1852 -13.26125 18.37039 
1 1 1    5   13    0 o  186.094   2.0255 0.000000 0.000000 
1 1 1    5   13    1 o  375.364   2.0183 -4.430908 4.036583 
1 1 1    5   13    2 o  163.000   1.3618 -2.113327 2.723599 
1 1 1    5   13    3 o   64.745   2.1891 -5.828861 4.378236 
1 1 1    5   13    4 o  164.029   1.3772 -1.680161 2.754314 
1 1 1    5   13    5 o  204.803   1.3669 -5.300766 2.733847 
1 1 1    5   13    6 o  181.125   1.5901 -0.3745270 3.180208 
1 1 1    5   13    7 o  176.599   1.2570 -1.260605 2.513963 
1 1 1    5   13    8 o  348.237   1.9295 6.529175 3.859038 
1 1 1    5   13    9 o  360.275   2.1539 -2.925629 4.307865 
1 1 1    5   13   10 o   79.686   2.0353 2.440147 4.070668 
1 1 1    5   13   11 o  276.827   1.8145 2.004395 3.628909 
1 1 1    5   13   12 o  212.175   1.5468 -2.014053 3.093650 
1 1 1    5   13   13 o   73.530   2.8837 6.019524 5.767470 
1 1 1    5   13   14 o  353.804   2.1194 -1.405334 4.238719 
1 1 1    5   13   15 o  617.722   3.4040 2.627075 6.808000 
1 1 1    5   13   16 o  191.167   2.4123 -7.586639 4.824574 
1 1 1    5   13   17 o  268.920   1.9915 -5.175354 3.983078 
1 1 1    5   13   18 o  419.497   2.6824 -11.05661 5.364762 
1 1 1    5   13   19 o   31.982   7.9237 -23.80027 15.84738 
1 1 1    5   13   20 o   58.996   7.9621 -27.18851 15.92411 
1 1 1    5   13   21 o  201.844   2.5733 -11.27672 5.146655 
1 1 1    5   13   22 o   26.271   8.9252 6.183136 17.85039 
1 1 1    5   13   23 o  281.442   2.4967 -7.802185 4.993368 
1 1 1    5   13   24 o  272.606   3.0433 7.628021 6.086544 
1 1 1    5   13   25 o  206.782   2.8780 -6.595505 5.756000 
1 1 1    5   13   26 o  163.217   3.4041 4.184036 6.808107 
1 1 1    5   13   27 o   24.570   8.1838 -4.717043 16.36758 
1 1 1    5   13   28 o   92.921   5.4974 3.478920 10.99488 
1 1 1    5   13   29 o  165.762   3.1854 -8.300217 6.370835 
1 1 1    5   13   30 o   29.692   9.0791 1.279741 18.15822 
1 1 1    5   13   31 o  100.325   5.7520 13.20556 11.50404 
1 1 1    5   13   32 o   93.826   5.6173 -19.76443 11.23469 
1 1 1    5   13   33 o   75.145   7.1120 14.11984 14.22395 
1 1 1    5   13   34 o   72.385   7.2256 -10.40081 14.45110 
1 1 1    5   13   35 o   87.930   6.6236 33.48409 13.24721 
1 1 1    5   13   36 o   59.464   9.2550 -20.16226 18.50996 
1 1 1    5   13   37 o   20.023   6.8957 1.519852 13.79149 
1 1 1    5   14    0 o   13.987   6.4747 0.000000 0.000000 
1 1 1    5   14    1 o  247.260   1.4558 -1.068527 2.911582 
1 1 1    5   14    2 o  184.515   1.2814 -6.316269 2.562866 
1 1 1    5   14    3 o  348.917   1.9773 -0.7515564 3.954594 
1 1 1    5   14    4 o  260.803   1.5153 0.9100647 3.030669 
1 1 1    5   14    5 o  152.835   1.2182 -1.848907 2.436494 
1 1 1    5   14    6 o  122.709   1.2410 -5.175186 2.482010 
1 1 1    5   14    7 f  226.130   1.5041 -6.220413 3.008254 
1 1 1    5   14    8 o  332.979   1.8660 -2.797058 3.731970 
1 1 1    5   14    9 o  353.810   1.9731 4.785065 3.946192 
1 1 1    5   14   10 o  183.029   1.4456 0.3590546 2.891160 
1 1 1    5   14   11 o  357.246   2.0124 0.7961731 4.024788 
1 1 1    5   14   12 o  181.716   1.5936 -0.3393250 3.187217 
1 1 1    5   14   13 o  132.012   1.9697 -3.759262 3.939350 
1 1 1    5   14   14 o  242.869   1.7874 -5.497665 3.574712 
1 1 1    5   14   15 o  338.874   2.1177 -4.938538 4.235373 
1 1 1    5   14   16 o  480.405   2.8793 1.929596 5.758635 
1 1 1    5   14   17 o  432.905   2.5684 -12.39920 5.136806 
1 1 1    5   14   18 o  130.712   4.1972 -26.42049 8.394377 
1 1 1    5   14   19 o  243.116   2.2659 -4.092621 4.531722 
1 1 1    5   14   20 o  545.976   3.1392 0.6312866 6.278367 
1 1 1    5   14   21 o   95.433   4.9743 -10.72276 9.948609 
1 1 1    5   14   22 o  377.101   2.5591 -9.044800 5.118144 
1 1 1    5   14   23 o   75.085   6.5077 -4.591118 13.01548 
1 1 1    5   14   24 o  296.435   2.4724 1.709534 4.944863 
1 1 1    5   14   25 o   98.432   5.2906 -11.27963 10.58128 
1 1 1    5   14   26 o  153.495   3.5186 -2.403320 7.037102 
1 1 1    5   14   27 o  109.494   4.6742 0.5047073 9.348347 
1 1 1    5   14   28 o   63.219   8.1220 -21.82702 16.24399 
1 1 1    5   14   29 o   57.649   8.4511 -20.24026 16.90211 
1 1 1    5   14   30 o   46.555   9.5267 -13.35989 19.05346 
1 1 1    5   14   31 o   32.435   9.3425 -0.6526833 18.68509 
1 1 1    5   14   32 o   65.599   7.7383 -10.23219 15.47656 
1 1 1    5   14   33 o   47.265   10.606 -31.37689 21.21223 
1 1 1    5   14   34 o  110.662   5.0567 1.364059 10.11340 
1 1 1    5   14   35 o   29.919   9.3462 3.076759 18.69242 
1 1 1    5   14   36 o   31.959   9.4269 -0.7099247 18.85382 
1 1 1    5   14   37 o   18.782   6.5299 -3.499290 13.05982 
1 1 1    5   15    0 o  200.361   2.1592 0.000000 0.000000 
1 1 1    5   15    1 o  317.153   1.7634 -1.806549 3.526878 
1 1 1    5   15    2 o  282.095   1.7318 -6.613922 3.463539 
1 1 1    5   15    3 o  145.969   1.3329 0.5523071 2.665785 
1 1 1    5   15    4 o  306.625   1.8852 3.845734 3.770488 
1 1 1    5   15    5 o  491.130   2.6210 -1.516296 5.242025 
1 1 1    5   15    6 o  194.581   1.5370 -4.392075 3.073929 
1 1 1    5   15    7 o  315.476   1.8017 1.728790 3.603366 
1 1 1    5   15    8 o  590.724   3.1373 2.103516 6.274533 
1 1 1    5   15    9 f  275.099   1.6642 1.824402 3.328385 
1 1 1    5   15   10 o  108.707   1.6955 1.247566 3.391081 
1 1 1    5   15   11 o  160.066   1.5944 -0.4960785 3.188885 
1 1 1    5   15   12 o  632.296   3.6359 -1.839172 7.271708 
1 1 1    5   15   13 o  565.540   3.0329 1.055969 6.065753 
1 1 1    5   15   14 o  308.169   2.2349 -0.6673279 4.469841 
1 1 1    5   15   15 o  321.159   2.0833 -0.7727661 4.166692 
1 1 1    5   15   16 f   41.524   6.9884 -34.03663 13.97686 
1 1 1    5   15   17 o  503.646   2.9002 0.1708984E-01 5.800352 
1 1 1    5   15   18 o  302.659   2.2476 -3.510559 4.495224 
1 1 1    5   15   19 o  458.839   3.1928 -4.632050 6.385645 
1 1 1    5   15   20 o  290.146   2.3111 0.5525513 4.622251 
1 1 1    5   15   21 o  297.509   2.5559 19.71722 5.111739 
1 1 1    5   15   22 o  212.725   2.6367 -0.2211761 5.273470 
1 1 1    5   15   23 o   52.178   9.3489 -6.069077 18.69771 
1 1 1    5   15   24 o  139.577   3.7427 -1.584686 7.485330 
1 1 1    5   15   25 o  112.026   4.5877 3.786797 9.175481 
1 1 1    5   15   26 o  105.640   4.8626 8.250038 9.725183 
1 1 1    5   15   27 o   59.789   8.4143 14.58632 16.82851 
1 1 1    5   15   28 o  123.007   4.1168 1.113945 8.233620 
1 1 1    5   15   29 o   46.710   9.7790 0.3361855 19.55809 
1 1 1    5   15   30 o  124.076   5.0039 35.14957 10.00772 
1 1 1    5   15   31 o  118.025   4.2315 0.2699661 8.463008 
1 1 1    5   15   32 o  108.714   4.6998 15.83043 9.399642 
1 1 1    5   15   33 o   59.205   8.6908 -1.116421 17.38153 
1 1 1    5   15   34 o   46.130   10.018 -10.82690 20.03535 
1 1 1    5   15   35 o   53.220   9.6021 3.119446 19.20426 
1 1 1    5   15   36 f   22.246   7.5726 -5.326469 15.14518 
1 1 1    5   16    0 o  127.391   2.2850 0.000000 0.000000 
1 1 1    5   16    1 o  615.752   3.2478 -4.319641 6.495550 
1 1 1    5   16    2 o  191.132   1.3806 -0.7574158 2.761186 
1 1 1    5   16    3 o  196.131   1.4223 0.2219238 2.844623 
1 1 1    5   16    4 o  368.373   2.3875 4.071991 4.774923 
1 1 1    5   16    5 o  536.387   2.8527 2.307922 5.705395 
1 1 1    5   16    6 o  330.741   1.8714 -8.171600 3.742740 
1 1 1    5   16    7 o  251.525   1.7520 5.839981 3.504023 
1 1 1    5   16    8 o  139.051   1.4370 -5.305389 2.874048 
1 1 1    5   16    9 o  145.516   1.4927 3.192612 2.985457 
1 1 1    5   16   10 o  240.636   1.6293 -1.618607 3.258615 
1 1 1    5   16   11 o  165.093   1.6981 -1.740128 3.396200 
1 1 1    5   16   12 f  346.026   2.3579 -3.015503 4.715821 
1 1 1    5   16   13 o  453.470   2.5066 3.951691 5.013144 
1 1 1    5   16   14 o  263.912   1.8398 -3.745728 3.679597 
1 1 1    5   16   15 o   73.196   6.4547 -47.96945 12.90944 
1 1 1    5   16   16 o  597.768   3.3383 16.01282 6.676527 
1 1 1    5   16   17 o  167.996   2.5628 3.341370 5.125653 
1 1 1    5   16   18 o  245.772   2.5613 6.251038 5.122551 
1 1 1    5   16   19 o  165.675   2.7167 -1.949875 5.433312 
1 1 1    5   16   20 o  352.734   4.5094      ?      ? 
1 1 1    5   16   21 o  102.163   4.6534 -9.179031 9.306819 
1 1 1    5   16   22 o  102.065   4.9034 -10.02979 9.806772 
1 1 1    5   16   23 o  162.378   3.1949 0.9783020 6.389704 
1 1 1    5   16   24 o  293.870   2.4570 2.078979 4.914067 
1 1 1    5   16   25 o   40.606   9.7236 -4.150253 19.44716 
1 1 1    5   16   26 f   82.095   6.1952 8.788712 12.39045 
1 1 1    5   16   27 o   34.413   9.3508 -2.337532 18.70155 
1 1 1    5   16   28 o   21.810   7.4165 -3.618496 14.83301 
1 1 1    5   16   29 o   24.017   7.9529 -3.905987 15.90577 
1 1 1    5   16   30 o   26.708   8.5673 0.6514606 17.13452 
1 1 1    5   16   31 o   36.746   9.6707 1.669769 19.34141 
1 1 1    5   16   32 o  129.379   3.8963 0.4595795 7.792534 
1 1 1    5   16   33 o   56.678   9.1007 -11.65983 18.20136 
1 1 1    5   16   34 o   61.103   8.6989 27.80636 17.39771 
1 1 1    5   16   35 o   74.805   6.9231 9.697426 13.84611 
1 1 1    5   16   36 o   33.934   8.8059 12.10901 17.61182 
1 1 1    5   17    0 f   12.807   6.3128 0.000000 0.000000 
1 1 1    5   17    1 o   97.649   2.2540 8.207504 4.508032 
1 1 1    5   17    2 o   79.543   3.1297 -12.82352 6.259363 
1 1 1    5   17    3 o  277.564   1.7417 -10.69940 3.483479 
1 1 1    5   17    4 o  285.691   1.7143 -6.079010 3.428593 
1 1 1    5   17    5 o  241.151   1.6270 -3.063461 3.254018 
1 1 1    5   17    6 o  120.758   1.5762 -6.095589 3.152396 
1 1 1    5   17    7 o  171.631   1.4938 -1.460541 2.987573 
1 1 1    5   17    8 o  213.615   1.5659 0.2741852 3.131824 
1 1 1    5   17    9 o  438.354   2.4046 6.615479 4.809241 
1 1 1    5   17   10 o  326.343   2.2850 -6.475739 4.569900 
1 1 1    5   17   11 o  179.451   1.6763 1.268723 3.352625 
1 1 1    5   17   12 o  185.587   1.7371 2.201965 3.474268 
1 1 1    5   17   13 o  158.422   1.9476 -2.979553 3.895144 
1 1 1    5   17   14 o  300.403   2.2729 11.68518 4.545748 
1 1 1    5   17   15 o  359.353   2.3095 1.096313 4.619021 
1 1 1    5   17   16 o  206.387   2.2029 -9.638443 4.405768 
1 1 1    5   17   17 o  353.084   3.0951 38.73050 6.190108 
1 1 1    5   17   18 o  288.205   2.2686 -1.633545 4.537248 
1 1 1    5   17   19 o  243.464   2.3134 5.370575 4.626743 
1 1 1    5   17   20 o   40.369   9.1424 15.35355 18.28483 
1 1 1    5   17   21 o  122.368   3.7058 11.10289 7.411580 
1 1 1    5   17   22 f  291.860   2.4276 -0.1435852 4.855126 
1 1 1    5   17   23 o  345.903   2.6077 2.639069 5.215342 
1 1 1    5   17   24 o  160.092   3.1113 1.423065 6.222648 
1 1 1    5   17   25 f   60.886   9.4314 -27.12767 18.86289 
1 1 1    5   17   26 o  133.073   3.4488 -3.204208 6.897666 
1 1 1    5   17   27 o   65.081   6.9459 -6.941700 13.89174 
1 1 1    5   17   28 o   85.176   5.2815 -3.232368 10.56291 
1 1 1    5   17   29 o   45.478   9.4919 -17.23012 18.98376 
1 1 1    5   17   30 f  125.790   3.8961 -2.456909 7.792178 
1 1 1    5   17   31 o   27.539   8.6565 -0.8591366 17.31290 
1 1 1    5   17   32 o   71.131   7.0245 4.662361 14.04904 
1 1 1    5   17   33 o  129.865   4.0513 9.614799 8.102609 
1 1 1    5   17   34 o   43.011   10.088 -1.761047 20.17685 
1 1 1    5   17   35 o   22.541   7.5691 -1.821173 15.13818 
1 1 1    5   18    0 f  379.154   3.6162 0.000000 0.000000 
1 1 1    5   18    1 o  138.645   1.7886 -8.630600 3.577130 
1 1 1    5   18    2 o  777.680   4.4261 0.6084595 8.852175 
1 1 1    5   18    3 o  251.429   1.6388 -3.463577 3.277571 
1 1 1    5   18    4 o  482.602   2.6638 -12.39072 5.327645 
1 1 1    5   18    5 f  137.958   1.7369 -8.448944 3.473869 
1 1 1    5   18    6 o   81.787   2.6582 -14.41961 5.316440 
1 1 1    5   18    7 o  132.331   1.7649 -6.153961 3.529836 
1 1 1    5   18    8 o   78.700   2.9192 -7.534508 5.838411 
1 1 1    5   18    9 o  134.533   1.7763 -6.981873 3.552660 
1 1 1    5   18   10 o  384.368   2.1931 0.9059753 4.386286 
1 1 1    5   18   11 o  303.779   1.9125 1.167358 3.824941 
1 1 1    5   18   12 o  342.732   2.0855 -2.799042 4.170967 
1 1 1    5   18   13 o  219.084   2.0517 7.856171 4.103405 
1 1 1    5   18   14 o  298.385   2.4788 5.622681 4.957531 
1 1 1    5   18   15 o  320.029   2.2959 -2.746674 4.591767 
1 1 1    5   18   16 o  345.231   2.5822 5.870453 5.164411 
1 1 1    5   18   17 o  165.118   2.5107 -2.782562 5.021476 
1 1 1    5   18   18 o  271.106   2.3216 5.728516 4.643199 
1 1 1    5   18   19 o   82.489   5.2543 -9.243538 10.50851 
1 1 1    5   18   20 o  202.756   2.5240 1.886276 5.047906 
1 1 1    5   18   21 o  192.886   2.6418 -9.169296 5.283613 
1 1 1    5   18   22 o  187.074   2.6938 2.143387 5.387589 
1 1 1    5   18   23 f  103.651   4.6998 6.908653 9.399651 
1 1 1    5   18   24 o   28.147   8.3822 -16.30323 16.76440 
1 1 1    5   18   25 o  113.738   5.0606 -15.07526 10.12118 
1 1 1    5   18   26 o  115.293   3.9595 -9.381477 7.918982 
1 1 1    5   18   27 o  178.037   2.7906 -2.402100 5.581236 
1 1 1    5   18   28 o   63.041   7.2102 -14.14309 14.42031 
1 1 1    5   18   29 o  112.820   4.2394 -17.62371 8.478784 
1 1 1    5   18   30 o   50.296   8.3869 23.07376 16.77388 
1 1 1    5   18   31 o   75.564   6.9135 -36.75594 13.82690 
1 1 1    5   18   32 o  138.797   3.7758 3.529480 7.551632 
1 1 1    5   18   33 o   57.609   8.8833 -7.582809 17.76654 
1 1 1    5   18   34 o   35.754   8.7168 18.80126 17.43370 
1 1 1    5   18   35 o   21.844   7.3213 2.391777 14.64255 
1 1 1    5   19    0 o   16.830   7.6489 0.000000 0.000000 
1 1 1    5   19    1 o  241.339   1.8900 0.6802368 3.779980 
1 1 1    5   19    2 o  113.317   2.7310 -6.903954 5.462003 
1 1 1    5   19    3 o  284.317   1.9151 6.637085 3.830178 
1 1 1    5   19    4 o  310.381   1.9958 4.388641 3.991677 
1 1 1    5   19    5 o   99.694   2.7332 10.57742 5.466329 
1 1 1    5   19    6 o  192.332   1.9806 5.747162 3.961260 
1 1 1    5   19    7 o   36.529   5.7897 -0.8898201 11.57938 
1 1 1    5   19    8 o  294.463   1.8447 -3.261169 3.689432 
1 1 1    5   19    9 o  127.870   2.0225 2.518776 4.044906 
1 1 1    5   19   10 o   32.543   6.5460 11.75446 13.09196 
1 1 1    5   19   11 f  185.122   2.3649 4.282272 4.729743 
1 1 1    5   19   12 o   55.420   6.1450 -4.954571 12.29002 
1 1 1    5   19   13 o  192.140   2.4739 2.448120 4.947706 
1 1 1    5   19   14 o  305.670   2.3084 2.099762 4.616808 
1 1 1    5   19   15 o  377.293   2.4379 -8.192383 4.875824 
1 1 1    5   19   16 o  246.207   2.1415 0.1306610 4.282918 
1 1 1    5   19   17 o   90.800   7.4701      ?      ? 
1 1 1    5   19   18 o  215.892   2.3739 -4.045746 4.747732 
1 1 1    5   19   19 o   92.618   4.5463 5.208427 9.092602 
1 1 1    5   19   20 o   84.562   5.1611 17.82346 10.32223 
1 1 1    5   19   21 o  213.441   2.4854 2.224899 4.970776 
1 1 1    5   19   22 o  218.501   2.5057 0.7587738 5.011461 
1 1 1    5   19   23 o  180.319   2.8238 12.80469 5.647665 
1 1 1    5   19   24 o   71.849   6.2373 7.986122 12.47451 
1 1 1    5   19   25 o  102.163   4.2582 -3.335693 8.516356 
1 1 1    5   19   26 o  157.000   3.1323 -4.732315 6.264593 
1 1 1    5   19   27 o   64.134   6.8187 -1.100761 13.63732 
1 1 1    5   19   28 o   23.980   7.7904 3.791147 15.58074 
1 1 1    5   19   29 o  116.393   3.9679 -7.353386 7.935723 
1 1 1    5   19   30 o   76.087   6.1293 -16.51624 12.25869 
1 1 1    5   19   31 o   32.252   9.1182 -13.39023 18.23631 
1 1 1    5   19   32 o   32.520   9.4331 -5.452024 18.86627 
1 1 1    5   19   33 o   65.713   7.6782 2.136147 15.35634 
1 1 1    5   19   34 o   58.524   8.0631 -39.22197 16.12628 
1 1 1    5   20    0 o  261.337   3.0647 0.000000 0.000000 
1 1 1    5   20    1 o  362.431   2.1116 2.139404 4.223162 
1 1 1    5   20    2 o  169.369   1.8430 -1.509506 3.685944 
1 1 1    5   20    3 o   90.811   2.8483 2.408661 5.696585 
1 1 1    5   20    4 o  364.143   2.4410 -4.860138 4.881970 
1 1 1    5   20    5 o  278.952   2.0101 1.941803 4.020267 
1 1 1    5   20    6 o  214.915   1.8003 2.067795 3.600523 
1 1 1    5   20    7 o  181.941   1.7332 -2.294678 3.466480 
1 1 1    5   20    8 o  382.043   2.2485 -0.6564941 4.496998 
1 1 1    5   20    9 o   67.744   5.2616 33.03299 10.52324 
1 1 1    5   20   10 o  339.254   3.2846      ?      ? 
1 1 1    5   20   11 o  200.831   2.0244 7.315353 4.048779 
1 1 1    5   20   12 o  398.931   2.8575 8.211578 5.715092 
1 1 1    5   20   13 o  496.388   3.8782 -6.500641 7.756321 
1 1 1    5   20   14 o  525.727   2.9242 1.893066 5.848481 
1 1 1    5   20   15 o  318.266   2.2546 -0.4730225E-01 4.509266 
1 1 1    5   20   16 o  241.411   2.4690 1.664703 4.938023 
1 1 1    5   20   17 o  108.155   3.6168 6.118462 7.233677 
1 1 1    5   20   18 o  297.194   2.3058 -0.7232971 4.611586 
1 1 1    5   20   19 o  188.211   2.5339 -2.798950 5.067811 
1 1 1    5   20   20 o  264.588   2.2987 0.4125671 4.597457 
1 1 1    5   20   21 o   57.255   7.8771 2.451874 15.75420 
1 1 1    5   20   22 o   86.165   5.2178 11.36141 10.43553 
1 1 1    5   20   23 o   99.966   4.4035 3.069481 8.806984 
1 1 1    5   20   24 o  151.613   2.9351 -3.068451 5.870294 
1 1 1    5   20   25 o  133.742   3.3456 -0.3924713 6.691124 
1 1 1    5   20   26 o   71.433   6.1390 -23.05508 12.27798 
1 1 1    5   20   27 o  108.481   4.5330 -4.045616 9.065971 
1 1 1    5   20   28 o  153.232   3.0949 6.692108 6.189878 
1 1 1    5   20   29 o   44.740   9.4039 6.448559 18.80786 
1 1 1    5   20   30 o   87.549   5.2882 -7.886765 10.57634 
1 1 1    5   20   31 o   37.044   9.6842 -5.513493 19.36834 
1 1 1    5   20   32 o   28.744   8.7908 -9.906637 17.58151 
1 1 1    5   20   33 o   99.246   5.1959 -18.08650 10.39179 
1 1 1    5   20   34 x  ?   ?       ?      ? 
1 1 1    5   21    0 f  237.555   2.9224 0.000000 0.000000 
1 1 1    5   21    1 o  208.882   1.9728 6.168823 3.945672 
1 1 1    5   21    2 o  288.432   2.1661 5.426483 4.332242 
1 1 1    5   21    3 o   58.025   5.8920 -7.802750 11.78407 
1 1 1    5   21    4 o  531.118   2.9654 9.430481 5.930876 
1 1 1    5   21    5 o  205.344   1.9267 3.278198 3.853467 
1 1 1    5   21    6 o   60.732   7.5289 -37.05558 15.05779 
1 1 1    5   21    7 o  438.548   3.9875      ?      ? 
1 1 1    5   21    8 o   76.457   6.7988 26.39668 13.59761 
1 1 1    5   21    9 o  209.483   1.9234 4.494781 3.846875 
1 1 1    5   21   10 o   70.469   6.5906      ?      ? 
1 1 1    5   21   11 o  365.188   2.9377 1.330292 5.875409 
1 1 1    5   21   12 o  421.518   2.7488 0.1785278 5.497546 
1 1 1    5   21   13 o   81.978   3.9615 -4.636292 7.922989 
1 1 1    5   21   14 o  397.887   2.5490 12.78195 5.098060 
1 1 1    5   21   15 o   70.141   5.7343 -1.280174 11.46861 
1 1 1    5   21   16 o  234.914   2.2210 -0.1495056 4.442096 
1 1 1    5   21   17 o  206.808   2.2847 2.487503 4.569414 
1 1 1    5   21   18 o  128.027   3.1921 0.1040497 6.384205 
1 1 1    5   21   19 o  149.218   2.8587 4.792191 5.717488 
1 1 1    5   21   20 o  225.804   2.4260 -0.7983246 4.851983 
1 1 1    5   21   21 o  186.614   2.6051 3.424194 5.210227 
1 1 1    5   21   22 o  143.781   2.8978 -6.072845 5.795527 
1 1 1    5   21   23 o  158.077   2.7968 -3.348877 5.593626 
1 1 1    5   21   24 o   22.641   7.5321 -4.218554 15.06417 
1 1 1    5   21   25 o   60.463   6.9630 9.465137 13.92605 
1 1 1    5   21   26 o   78.643   6.0940 39.60839 12.18797 
1 1 1    5   21   27 o   41.910   8.5791 -24.26940 17.15820 
1 1 1    5   21   28 o   63.325   7.1817 -14.23661 14.36345 
1 1 1    5   21   29 o   43.492   9.3317 -3.856041 18.66347 
1 1 1    5   21   30 o   96.882   4.8903 -0.3732071 9.780516 
1 1 1    5   21   31 o   33.787   9.4750 -2.724319 18.95001 
1 1 1    5   21   32 o  107.096   4.4729 -10.76464 8.945731 
1 1 1    5   21   33 o   41.278   9.7363 -6.886059 19.47254 
1 1 1    5   22    0 o  279.753   3.8126 0.000000 0.000000 
1 1 1    5   22    1 o  199.844   3.2952 39.57089 6.590323 
1 1 1    5   22    2 o  410.913   3.0160 -18.91052 6.032090 
1 1 1    5   22    3 o  509.341   3.6286 -42.51886 7.257209 
1 1 1    5   22    4 f  259.565   2.3369 -13.48642 4.673776 
1 1 1    5   22    5 o  179.598   3.0250 44.05675 6.050015 
1 1 1    5   22    6 o  320.144   2.2125 6.115143 4.424932 
1 1 1    5   22    7 o  100.265   3.4844 -5.394608 6.968750 
1 1 1    5   22    8 o  132.923   2.7842 30.25143 5.568417 
1 1 1    5   22    9 o  280.707   3.2706      ?      ? 
1 1 1    5   22   10 o  350.420   2.3229 3.165039 4.645892 
1 1 1    5   22   11 o   98.489   3.1612 -6.666206 6.322355 
1 1 1    5   22   12 o  135.262   2.6108 12.69189 5.221646 
1 1 1    5   22   13 o  177.940   2.3147 -3.540039 4.629371 
1 1 1    5   22   14 o   30.077   8.0211 8.147917 16.04216 
1 1 1    5   22   15 o  185.190   2.2705 3.310532 4.540968 
1 1 1    5   22   16 o  290.392   2.2520 1.523621 4.504091 
1 1 1    5   22   17 o   32.532   8.3672 -8.861071 16.73431 
1 1 1    5   22   18 o  139.617   2.9083 3.643753 5.816679 
1 1 1    5   22   19 o  186.335   2.4728 -3.764374 4.945642 
1 1 1    5   22   20 o  129.005   3.2145 -8.317802 6.428925 
1 1 1    5   22   21 o  150.608   2.7576 -4.780045 5.515261 
1 1 1    5   22   22 o  240.486   2.2307 -3.099701 4.461308 
1 1 1    5   22   23 o   26.237   7.9960 4.305922 15.99191 
1 1 1    5   22   24 o   80.660   4.9130 10.41666 9.826043 
1 1 1    5   22   25 o   80.007   5.3044 -5.721382 10.60872 
1 1 1    5   22   26 o   24.712   7.7928 5.590790 15.58562 
1 1 1    5   22   27 o   83.857   5.4510 -3.959549 10.90195 
1 1 1    5   22   28 o   28.261   8.5166 -1.813692 17.03323 
1 1 1    5   22   29 o   95.510   4.7388 -5.778793 9.477570 
1 1 1    5   22   30 o   24.707   8.0105 2.250832 16.02104 
1 1 1    5   22   31 o   78.271   6.2250 8.242966 12.45005 
1 1 1    5   22   32 o  107.884   4.6551 -1.882935 9.310151 
1 1 1    5   23    0 o  240.384   3.2629 0.000000 0.000000 
1 1 1    5   23    1 o   80.301   4.7723 13.25031 9.544533 
1 1 1    5   23    2 f  118.034   3.2190 1.129272 6.437904 
1 1 1    5   23    3 o  302.125   2.5568 9.925140 5.113584 
1 1 1    5   23    4 o  152.584   3.0684 23.56261 6.136701 
1 1 1    5   23    5 o  176.464   3.2317 47.94655 6.463390 
1 1 1    5   23    6 o  264.798   2.3882 -24.76819 4.776493 
1 1 1    5   23    7 o  142.382   2.8733 25.12166 5.746547 
1 1 1    5   23    8 o  142.151   2.3914 -0.8382263 4.782856 
1 1 1    5   23    9 o  103.181   3.0776 -7.007545 6.155296 
1 1 1    5   23   10 o  120.420   2.8125 8.948608 5.624996 
1 1 1    5   23   11 o  183.096   2.3317 -54.92465 4.663415 
1 1 1    5   23   12 o  149.582   2.4591 14.36253 4.918216 
1 1 1    5   23   13 o  236.993   2.0265 -0.2152557 4.053055 
1 1 1    5   23   14 o  192.251   2.1604 0.1047363 4.320810 
1 1 1    5   23   15 o  266.039   2.1160 1.659424 4.231925 
1 1 1    5   23   16 o   96.472   3.7988 6.131020 7.597628 
1 1 1    5   23   17 o  170.720   2.4805 1.686951 4.960960 
1 1 1    5   23   18 o   91.310   4.1652 0.4794998 8.330397 
1 1 1    5   23   19 o   72.343   5.2869 11.71160 10.57387 
1 1 1    5   23   20 o  105.959   3.5288 0.2759628 7.057552 
1 1 1    5   23   21 o   39.230   8.5193 -1.220425 17.03864 
1 1 1    5   23   22 o  112.419   3.4225 5.515205 6.844971 
1 1 1    5   23   23 o   42.361   8.4320 -2.116138 16.86390 
1 1 1    5   23   24 o  113.933   7.4854 146.6635 14.97072 
1 1 1    5   23   25 o   63.568   6.3498 -4.198345 12.69952 
1 1 1    5   23   26 o   59.354   7.1629 -14.99449 14.32574 
1 1 1    5   23   27 o   60.572   8.1953 -24.60764 16.39064 
1 1 1    5   23   28 o   89.948   4.8227 -9.087463 9.645475 
1 1 1    5   23   29 o   30.080   8.6655 -11.93511 17.33100 
1 1 1    5   23   30 o   80.637   5.7770 10.22402 11.55400 
1 1 1    5   23   31 o   42.630   8.8225 -28.57418 17.64493 
1 1 1    5   24    0 o  131.645   5.0401 0.000000 0.000000 
1 1 1    5   24    1 o  457.281   2.6358 0.7304688 5.271699 
1 1 1    5   24    2 f  153.310   2.8680 20.96443 5.736044 
1 1 1    5   24    3 o  166.125   2.4328 -5.403061 4.865651 
1 1 1    5   24    4 o  135.823   2.9561 -7.494141 5.912176 
1 1 1    5   24    5 o  269.888   2.0444 -0.2038269 4.088793 
1 1 1    5   24    6 f  171.885   2.3015 -3.351120 4.603034 
1 1 1    5   24    7 f  308.018   2.1265 -9.006073 4.253046 
1 1 1    5   24    8 x  ?   ?       ?      ? 
1 1 1    5   24    9 o  120.040   3.0559 13.49907 6.111803 
1 1 1    5   24   10 o  412.496   2.4711 -0.4440308 4.942236 
1 1 1    5   24   11 o  122.279   2.7652 -0.5479736 5.530449 
1 1 1    5   24   12 o  123.335   2.7384 -1.603905 5.476777 
1 1 1    5   24   13 o  220.658   2.0436 1.523209 4.087255 
1 1 1    5   24   14 o   86.486   3.8750 1.165100 7.750097 
1 1 1    5   24   15 o   23.824   7.3432 9.483131 14.68641 
1 1 1    5   24   16 o   48.731   7.5922 -3.354340 15.18434 
1 1 1    5   24   17 o  229.263   2.2024 -2.657639 4.404846 
1 1 1    5   24   18 o   71.987   4.9801 -0.1451492 9.960219 
1 1 1    5   24   19 o  167.889   2.4672 3.261536 4.934485 
1 1 1    5   24   20 o   24.582   7.3730 -11.33194 14.74596 
1 1 1    5   24   21 o   47.857   7.5618 -10.39257 15.12353 
1 1 1    5   24   22 o   19.013   6.4785 -1.614733 12.95702 
1 1 1    5   24   23 o   87.872   4.5395 -3.710304 9.079047 
1 1 1    5   24   24 f   93.974   4.5709 0.9914398E-01 9.141856 
1 1 1    5   24   25 o   56.119   7.4259 29.05852 14.85171 
1 1 1    5   24   26 o  110.642   4.7589 -4.695335 9.517752 
1 1 1    5   24   27 o  137.532   3.1576 -9.518036 6.315288 
1 1 1    5   24   28 o   37.950   8.5766 18.34187 17.15317 
1 1 1    5   24   29 o   73.038   6.1741 11.59521 12.34817 
1 1 1    5   24   30 o   40.858   9.5580 -6.496052 19.11608 
1 1 1    5   24   31 o   30.287   9.2154 -7.979998 18.43081 
1 1 1    5   25    0 o   35.719   17.428 0.000000 0.000000 
1 1 1    5   25    1 o  187.708   2.7397 3.355484 5.479361 
1 1 1    5   25    2 o  134.064   3.6108 -8.613174 7.221673 
1 1 1    5   25    3 x  ?   ?       ?      ? 
1 1 1    5   25    4 o  173.509   3.9603 -8.062286 7.920585 
1 1 1    5   25    5 o   39.519   8.4724 -0.3889198 16.94481 
1 1 1    5   25    6 o   63.591   7.6755 0.5482407 15.35104 
1 1 1    5   25    7 o  222.701   2.0451 0.2051086 4.090150 
1 1 1    5   25    8 o   63.167   5.3522 -2.923889 10.70449 
1 1 1    5   25    9 o  213.518   2.0439 2.586548 4.087740 
1 1 1    5   25   10 o  266.781   2.0243 0.6911621 4.048633 
1 1 1    5   25   11 o   84.785   3.8813 -2.439339 7.762602 
1 1 1    5   25   12 o  140.311   2.4881 -3.004608 4.976122 
1 1 1    5   25   13 o  125.125   2.7407 -1.126877 5.481432 
1 1 1    5   25   14 o  177.295   2.1879 2.738480 4.375724 
1 1 1    5   25   15 o  105.471   3.2611 -1.463440 6.522141 
1 1 1    5   25   16 o   46.777   7.0785 -25.25937 14.15700 
1 1 1    5   25   17 o  140.345   2.6814 -2.461563 5.362828 
1 1 1    5   25   18 o   54.601   6.2795 1.141792 12.55900 
1 1 1    5   25   19 o   68.015   5.1131 -8.542786 10.22618 
1 1 1    5   25   20 o  109.225   3.2379 7.152023 6.475782 
1 1 1    5   25   21 o   36.884   8.4332 -0.3219986E-01 16.86639 
1 1 1    5   25   22 o  129.533   3.7097 61.22253 7.419327 
1 1 1    5   25   23 o  120.375   3.3394 -3.709045 6.678889 
1 1 1    5   25   24 o  176.460   2.6897 -5.810883 5.379437 
1 1 1    5   25   25 o   93.403   4.1931 -6.710205 8.386228 
1 1 1    5   25   26 o  140.979   3.9463 -1.913239 7.892619 
1 1 1    5   25   27 o   27.627   8.3511 -6.179531 16.70210 
1 1 1    5   25   28 o   56.803   7.9757 -4.750126 15.95140 
1 1 1    5   25   29 o   29.802   8.7736 3.837378 17.54730 
1 1 1    5   25   30 f   40.430   9.4472 0.8364906 18.89447 
1 1 1    5   26    0 o  582.989   5.1555 0.000000 0.000000 
1 1 1    5   26    1 o  110.820   3.8400 8.448257 7.680085 
1 1 1    5   26    2 o  106.564   3.6855 5.848991 7.371034 
1 1 1    5   26    3 o  106.326   3.9700 2.778458 7.939994 
1 1 1    5   26    4 o   81.473   4.5820 4.888275 9.164024 
1 1 1    5   26    5 o  196.253   2.2068 0.1252594 4.413520 
1 1 1    5   26    6 o  151.304   2.5267 -0.5234833 5.053327 
1 1 1    5   26    7 o  110.466   3.2870 -9.203232 6.573909 
1 1 1    5   26    8 o  141.509   2.5299 -0.3787231 5.059710 
1 1 1    5   26    9 f  196.730   2.3465 -3.122787 4.692970 
1 1 1    5   26   10 o   81.662   4.1852 -1.348213 8.370482 
1 1 1    5   26   11 o  113.317   2.9685 11.86543 5.936960 
1 1 1    5   26   12 o   71.715   4.6266 11.73325 9.253190 
1 1 1    5   26   13 o   94.913   3.4890 -1.799774 6.978091 
1 1 1    5   26   14 o   25.614   7.5192 1.056627 15.03843 
1 1 1    5   26   15 o  144.162   2.4159 3.551575 4.831893 
1 1 1    5   26   16 o  112.237   2.9670 3.459152 5.933915 
1 1 1    5   26   17 o   73.933   4.3004 10.90749 8.600802 
1 1 1    5   26   18 o   88.408   3.7145 -1.565681 7.428945 
1 1 1    5   26   19 o   25.262   7.5024 4.472792 15.00479 
1 1 1    5   26   20 o   84.655   4.4019 -22.19992 8.803789 
1 1 1    5   26   21 o   30.817   8.2876 -8.167543 16.57514 
1 1 1    5   26   22 o  118.904   3.2386 -6.124634 6.477285 
1 1 1    5   26   23 o  104.781   3.7024 1.247108 7.404795 
1 1 1    5   26   24 o   57.041   7.4223 21.10962 14.84467 
1 1 1    5   26   25 o   86.939   4.5796 1.829277 9.159192 
1 1 1    5   26   26 o   79.298   7.0592 6.731895 14.11843 
1 1 1    5   26   27 o   28.935   8.6362 -4.282343 17.27237 
1 1 1    5   26   28 o   64.337   6.7953 -6.984077 13.59068 
1 1 1    5   26   29 o   35.464   8.0648 19.68272 16.12965 
1 1 1    5   27    0 o   37.234   13.396 0.000000 0.000000 
1 1 1    5   27    1 o  192.449   2.6972 -14.69313 5.394387 
1 1 1    5   27    2 o   78.871   4.9251 16.31490 9.850192 
1 1 1    5   27    3 o  348.199   2.2586 3.512970 4.517170 
1 1 1    5   27    4 o  379.470   2.3568 2.694580 4.713500 
1 1 1    5   27    5 o  193.106   2.2458 -0.7219543 4.491678 
1 1 1    5   27    6 o   52.570   6.8899 -3.920483 13.77976 
1 1 1    5   27    7 o   26.264   7.6465 9.066040 15.29298 
1 1 1    5   27    8 o   21.193   6.8496 -4.910721 13.69927 
1 1 1    5   27    9 o   96.846   3.4848 -9.488579 6.969554 
1 1 1    5   27   10 o   73.794   4.4362 -6.587166 8.872421 
1 1 1    5   27   11 o   68.518   4.9880 -26.66750 9.976056 
1 1 1    5   27   12 o   85.930   3.7448 -1.197083 7.489570 
1 1 1    5   27   13 o   24.538   7.3496 -2.094589 14.69914 
1 1 1    5   27   14 o  107.000   2.9886 -9.434601 5.977135 
1 1 1    5   27   15 o   25.928   7.0410 -10.35097 14.08190 
1 1 1    5   27   16 o   59.562   5.1841 6.868313 10.36822 
1 1 1    5   27   17 o   98.320   3.2624 -13.92420 6.524865 
1 1 1    5   27   18 o   95.082   3.4243 -7.835670 6.848578 
1 1 1    5   27   19 o   99.801   4.4805 -59.88300 8.961066 
1 1 1    5   27   20 o   40.378   7.7287 19.54962 15.45733 
1 1 1    5   27   21 o   86.320   4.1071 4.471214 8.214252 
1 1 1    5   27   22 o  129.432   2.9903 -9.595863 5.980570 
1 1 1    5   27   23 o   31.051   7.8492 -18.55753 15.69850 
1 1 1    5   27   24 o  174.585   2.7506 -5.686066 5.501149 
1 1 1    5   27   25 o   98.958   4.1002 1.752335 8.200337 
1 1 1    5   27   26 o   74.676   7.2691 -10.71206 14.53813 
1 1 1    5   27   27 o   27.358   8.3719 -0.3864651 16.74378 
1 1 1    5   27   28 o   31.246   8.8897 -0.7246075 17.77946 
1 1 1    5   28    0 o  293.523   3.4045 0.000000 0.000000 
1 1 1    5   28    1 o  252.726   2.2128 6.438202 4.425583 
1 1 1    5   28    2 o  251.171   2.1201 5.095276 4.240119 
1 1 1    5   28    3 o   79.003   4.8610 -14.55086 9.721902 
1 1 1    5   28    4 o  210.439   2.1637 -3.881409 4.327353 
1 1 1    5   28    5 o  208.017   2.1560 2.653671 4.311994 
1 1 1    5   28    6 o  103.422   3.4636 0.7301331 6.927216 
1 1 1    5   28    7 o   87.463   4.0203 -6.554054 8.040648 
1 1 1    5   28    8 o  141.506   2.6791 6.433731 5.358260 
1 1 1    5   28    9 o  130.762   2.6716 -2.358795 5.343283 
1 1 1    5   28   10 o   68.378   4.6602 5.605988 9.320327 
1 1 1    5   28   11 o   88.332   3.5495 0.5316391 7.098930 
1 1 1    5   28   12 o  101.576   2.9925 2.858208 5.984916 
1 1 1    5   28   13 o   89.355   3.3908 -4.136787 6.781662 
1 1 1    5   28   14 o   26.023   7.3280 8.801476 14.65610 
1 1 1    5   28   15 o  181.137   2.0999 0.4538574 4.199747 
1 1 1    5   28   16 o   83.865   3.6590 -7.271477 7.318068 
1 1 1    5   28   17 o   25.997   6.9617 -17.60561 13.92335 
1 1 1    5   28   18 o  134.280   2.9340 8.097336 5.868019 
1 1 1    5   28   19 o   38.999   7.8737 9.174110 15.74746 
1 1 1    5   28   20 o   79.772   4.1982 8.568947 8.396379 
1 1 1    5   28   21 f   99.542   3.5948 -22.60121 7.189567 
1 1 1    5   28   22 o   58.376   6.0896 -10.71527 12.17929 
1 1 1    5   28   23 o  122.203   3.0679 -8.695023 6.135780 
1 1 1    5   28   24 o  146.074   3.1704 -5.526016 6.340710 
1 1 1    5   28   25 o   27.711   7.9548 -14.40049 15.90962 
1 1 1    5   28   26 f   30.698   8.5374 -18.59326 17.07489 
1 1 1    5   28   27 o   45.575   8.4718 -33.48158 16.94364 
1 1 1    5   29    0 o  125.735   5.0320 0.000000 0.000000 
1 1 1    5   29    1 o   18.522   6.3920 6.231329 12.78410 
1 1 1    5   29    2 o   23.930   7.5579 2.240953 15.11581 
1 1 1    5   29    3 o  186.326   2.2829 4.296188 4.565749 
1 1 1    5   29    4 o   18.765   6.3696 7.148042 12.73920 
1 1 1    5   29    5 o   90.146   3.9803 1.933990 7.960653 
1 1 1    5   29    6 o   42.219   7.8221 9.565865 15.64412 
1 1 1    5   29    7 o  110.871   3.0875 -4.551102 6.174960 
1 1 1    5   29    8 o   95.893   3.4005 -0.9615784 6.801080 
1 1 1    5   29    9 o   49.654   6.4152 8.554367 12.83033 
1 1 1    5   29   10 o  105.888   3.0076 2.421280 6.015268 
1 1 1    5   29   11 o  128.326   2.4797 3.586227 4.959379 
1 1 1    5   29   12 o   58.818   4.9863 -4.340382 9.972596 
1 1 1    5   29   13 o  146.223   2.2506 6.566589 4.501173 
1 1 1    5   29   14 o  165.881   2.0920 -1.331757 4.184015 
1 1 1    5   29   15 o   24.503   7.1515 10.17956 14.30291 
1 1 1    5   29   16 o  130.206   3.5890 18.85396 7.177978 
1 1 1    5   29   17 f   92.181   3.4938 4.184837 6.987631 
1 1 1    5   29   18 o   24.569   7.3007 -4.906078 14.60133 
1 1 1    5   29   19 o   56.307   6.0173 -10.02408 12.03454 
1 1 1    5   29   20 o   66.663   5.1088 -13.36958 10.21753 
1 1 1    5   29   21 o   85.288   4.0219 -4.732170 8.043720 
1 1 1    5   29   22 f   22.529   7.1785 2.291000 14.35696 
1 1 1    5   29   23 o  139.120   2.8171 5.573120 5.634207 
1 1 1    5   29   24 o   39.984   8.0127 -20.68903 16.02544 
1 1 1    5   29   25 o   39.056   8.6985 8.128044 17.39694 
1 1 1    5   29   26 o   33.605   8.8648 -16.10967 17.72955 
1 1 1    5   30    0 o   44.659   9.8353 0.000000 0.000000 
1 1 1    5   30    1 o   75.250   5.1043 3.831223 10.20868 
1 1 1    5   30    2 o  104.633   3.4003 16.51859 6.800670 
1 1 1    5   30    3 o   92.952   3.7424 3.187111 7.484785 
1 1 1    5   30    4 o  124.031   2.8003 -3.731247 5.600584 
1 1 1    5   30    5 o   72.950   4.4899 8.854279 8.979836 
1 1 1    5   30    6 o   54.211   6.4698 -23.24511 12.93963 
1 1 1    5   30    7 o   19.289   6.3978 1.909313 12.79552 
1 1 1    5   30    8 o   54.868   5.6352 4.954773 11.27044 
1 1 1    5   30    9 o   79.041   3.9177 -11.07333 7.835396 
1 1 1    5   30   10 f   22.894   6.9598 6.344376 13.91953 
1 1 1    5   30   11 o   55.186   5.3213 -5.320786 10.64269 
1 1 1    5   30   12 o   80.404   3.7908 -3.031738 7.581622 
1 1 1    5   30   13 o   31.443   7.1549 24.40441 14.30989 
1 1 1    5   30   14 o  122.873   3.0558 -22.30022 6.111549 
1 1 1    5   30   15 o   25.727   7.2424 12.77073 14.48487 
1 1 1    5   30   16 o   64.650   4.8765 -0.1548080 9.753005 
1 1 1    5   30   17 o   17.886   6.0716 -1.549622 12.14316 
1 1 1    5   30   18 o   88.029   3.8086 3.240211 7.617152 
1 1 1    5   30   19 o   47.529   6.9986 -13.71982 13.99711 
1 1 1    5   30   20 o  102.611   3.3853 -1.454292 6.770589 
1 1 1    5   30   21 o   36.374   8.2549 -5.240566 16.50982 
1 1 1    5   30   22 o  136.967   2.7951 -1.982620 5.590188 
1 1 1    5   30   23 o   22.901   7.3534 0.9936905 14.70680 
1 1 1    5   30   24 o   46.892   7.9485 31.24782 15.89703 
1 1 1    5   30   25 x  ?   ?       ?      ? 
1 1 1    5   31    0 o  146.985   4.2036 0.000000 0.000000 
1 1 1    5   31    1 o   77.476   4.6542 0.2403259 9.308435 
1 1 1    5   31    2 o   25.485   7.6320 3.892836 15.26398 
1 1 1    5   31    3 o  145.312   2.4550 -5.108185 4.910004 
1 1 1    5   31    4 o   46.774   7.0463 6.375370 14.09254 
1 1 1    5   31    5 o  148.558   2.3783 12.35764 4.756627 
1 1 1    5   31    6 o   95.971   3.3713 4.333557 6.742503 
1 1 1    5   31    7 o  113.410   2.8612 2.252182 5.722491 
1 1 1    5   31    8 o   96.079   3.1719 6.216965 6.343756 
1 1 1    5   31    9 o   19.111   6.2874 -5.336012 12.57480 
1 1 1    5   31   10 o   19.778   6.4237 8.057272 12.84736 
1 1 1    5   31   11 o  103.593   5.3914 -105.3781 10.78281 
1 1 1    5   31   12 o   29.742   7.6966 8.258453 15.39328 
1 1 1    5   31   13 o  133.164   2.5039 1.143005 5.007877 
1 1 1    5   31   14 o   44.300   7.1346 -4.878834 14.26920 
1 1 1    5   31   15 o   42.459   7.0219 -19.15112 14.04375 
1 1 1    5   31   16 o   27.351   7.8001 -1.325689 15.60011 
1 1 1    5   31   17 o   33.579   8.0570 -13.12763 16.11390 
1 1 1    5   31   18 o   69.250   4.8332 -7.837883 9.666355 
1 1 1    5   31   19 o   45.902   7.2490 -12.33731 14.49801 
1 1 1    5   31   20 o   68.069   5.0563 -1.962730 10.11260 
1 1 1    5   31   21 o   25.294   7.6091 -4.297464 15.21813 
1 1 1    5   31   22 o   35.060   8.6762 -4.433125 17.35233 
1 1 1    5   31   23 o   86.111   5.0827 -2.093742 10.16537 
1 1 1    5   32    0 o   20.578   9.5790 0.000000 0.000000 
1 1 1    5   32    1 o   87.845   4.0085 4.125702 8.017062 
1 1 1    5   32    2 o   23.974   7.3544 1.437908 14.70890 
1 1 1    5   32    3 o  107.205   3.0948 11.07936 6.189623 
1 1 1    5   32    4 o   21.573   6.7003 -9.761276 13.40050 
1 1 1    5   32    5 o   29.842   8.0422 13.46080 16.08441 
1 1 1    5   32    6 o  106.891   3.4237 12.24347 6.847454 
1 1 1    5   32    7 o  136.872   3.3465 -1.304153 6.693010 
1 1 1    5   32    8 o   50.393   7.0869 -36.69852 14.17385 
1 1 1    5   32    9 o  129.038   3.0369 5.978806 6.073704 
1 1 1    5   32   10 o   24.133   7.0709 -11.05580 14.14179 
1 1 1    5   32   11 o  137.732   2.4499 13.08359 4.899890 
1 1 1    5   32   12 o   85.190   3.6754 -0.5197906E-01 7.350875 
1 1 1    5   32   13 o   32.400   7.7639 -8.905872 15.52781 
1 1 1    5   32   14 o   31.638   7.9042 1.027802 15.80849 
1 1 1    5   32   15 o   39.340   7.7068 -6.669971 15.41365 
1 1 1    5   32   16 o   79.614   4.1713 4.128967 8.342629 
1 1 1    5   32   17 o   39.445   7.8387 10.88453 15.67737 
1 1 1    5   32   18 o   60.168   5.9803 -0.2661362 11.96064 
1 1 1    5   32   19 o   29.219   8.0982 0.7880726 16.19632 
1 1 1    5   32   20 o   45.421   7.5571 14.23006 15.11419 
1 1 1    5   32   21 o   26.898   7.9009 4.972345 15.80174 
1 1 1    5   32   22 o   70.294   5.4735 -0.2327576 10.94704 
1 1 1    5   33    0 o   38.646   11.068 0.000000 0.000000 
1 1 1    5   33    1 o   70.922   5.6644 4.936546 11.32877 
1 1 1    5   33    2 o   19.061   6.3892 5.074665 12.77842 
1 1 1    5   33    3 o   19.681   6.6683 8.036054 13.33668 
1 1 1    5   33    4 x  ?   ?       ?      ? 
1 1 1    5   33    5 o   23.481   7.1581 -7.847504 14.31614 
1 1 1    5   33    6 o   38.224   7.9317 -2.477211 15.86332 
1 1 1    5   33    7 o   39.853   6.5843 -30.60805 13.16853 
1 1 1    5   33    8 f   78.103   4.1488 6.059311 8.297625 
1 1 1    5   33    9 o   54.066   6.0361 18.66773 12.07229 
1 1 1    5   33   10 o  109.216   3.0135 3.429970 6.026949 
1 1 1    5   33   11 o   96.567   3.2892 2.840675 6.578447 
1 1 1    5   33   12 o   66.690   4.8455 -17.03080 9.690920 
1 1 1    5   33   13 o   20.361   6.6167 2.753998 13.23339 
1 1 1    5   33   14 o  103.607   3.1505 8.149544 6.300977 
1 1 1    5   33   15 o   49.299   6.8913 -14.39525 13.78270 
1 1 1    5   33   16 o   76.199   4.5086 -8.319672 9.017270 
1 1 1    5   33   17 o   38.334   8.1111 -5.031475 16.22218 
1 1 1    5   33   18 o   62.512   5.5152 0.9451942 11.03045 
1 1 1    5   33   19 o   26.288   7.7995 8.584959 15.59895 
1 1 1    5   33   20 o  127.450   4.1904 33.73328 8.380742 
1 1 1    5   34    0 o   18.232   8.9939 0.000000 0.000000 
1 1 1    5   34    1 o   33.651   8.0823 -14.01882 16.16455 
1 1 1    5   34    2 o   28.444   7.8744 0.2546310E-02 15.74878 
1 1 1    5   34    3 o   36.045   8.0289 -5.535385 16.05775 
1 1 1    5   34    4 o   44.642   7.3359 17.05935 14.67177 
1 1 1    5   34    5 o   48.536   6.9488 -14.13963 13.89752 
1 1 1    5   34    6 o  133.007   3.2069 -0.4156342 6.413800 
1 1 1    5   34    7 o   38.397   7.6110 -20.72482 15.22204 
1 1 1    5   34    8 o   21.671   6.9467 -1.437752 13.89338 
1 1 1    5   34    9 o   43.235   7.3989 4.562492 14.79775 
1 1 1    5   34   10 f   16.731   5.7530 -0.2600079 11.50592 
1 1 1    5   34   11 o  109.995   3.0440 11.80134 6.088086 
1 1 1    5   34   12 o   46.605   7.0801 15.62244 14.16025 
1 1 1    5   34   13 o   28.126   7.6490 -8.320381 15.29808 
1 1 1    5   34   14 f   75.450   4.5066 -15.40011 9.013190 
1 1 1    5   34   15 o   28.422   7.9629 -6.864948 15.92572 
1 1 1    5   34   16 o   33.553   8.0047 14.53071 16.00938 
1 1 1    5   34   17 o   31.965   8.2090 1.955523 16.41796 
1 1 1    5   34   18 o   34.362   8.2989 3.013752 16.59787 
1 1 1    5   35    0 o  125.568   4.5360 0.000000 0.000000 
1 1 1    5   35    1 o   43.048   8.0026 -4.253841 16.00525 
1 1 1    5   35    2 o   96.058   4.1230 22.62586 8.245912 
1 1 1    5   35    3 o   29.315   7.4060 -15.47660 14.81205 
1 1 1    5   35    4 o   35.386   7.7769 -15.45359 15.55379 
1 1 1    5   35    5 o   60.828   5.8741 -17.64597 11.74827 
1 1 1    5   35    6 o   21.201   6.8732 6.883562 13.74642 
1 1 1    5   35    7 o   96.342   4.3236 -2.021530 8.647178 
1 1 1    5   35    8 o   66.114   5.0456 0.9051590 10.09115 
1 1 1    5   35    9 o   78.237   4.2740 12.02905 8.547968 
1 1 1    5   35   10 o   25.001   7.4325 -5.428379 14.86504 
1 1 1    5   35   11 o   18.512   6.2546 2.121222 12.50912 
1 1 1    5   35   12 o   46.366   7.3764 2.659565 14.75279 
1 1 1    5   35   13 o  109.519   3.2724 -3.594971 6.544738 
1 1 1    5   35   14 o   46.962   7.4448 -7.982048 14.88964 
1 1 1    5   35   15 o   74.804   5.2845 -3.931976 10.56892 
1 1 1    5   35   16 o   67.055   4.9732 -2.144524 9.946403 
1 1 1    5   36    0 o  118.631   4.7470 0.000000 0.000000 
1 1 1    5   36    1 o   29.104   8.1789 5.996399 16.35785 
1 1 1    5   36    2 o   31.447   7.5375 21.33908 15.07492 
1 1 1    5   36    3 o   19.427   6.5214 -0.3894939 13.04283 
1 1 1    5   36    4 o   28.290   7.9109 -5.074415 15.82173 
1 1 1    5   36    5 o   21.397   6.9454 1.812181 13.89087 
1 1 1    5   36    6 o   79.844   4.3775 -6.679024 8.755006 
1 1 1    5   36    7 o   21.531   6.9864 8.823048 13.97280 
1 1 1    5   36    8 o   66.392   5.1467 0.6293640 10.29341 
1 1 1    5   36    9 o   30.585   8.1355 7.093485 16.27097 
1 1 1    5   36   10 o   29.274   7.8548 12.69985 15.70958 
1 1 1    5   36   11 o  108.154   3.5817 7.445763 7.163406 
1 1 1    5   36   12 o   79.084   4.5422 -5.989967 9.084343 
1 1 1    5   36   13 o   20.355   6.7136 1.224520 13.42730 
1 1 1    5   36   14 o   20.199   6.6810 1.642462 13.36202 
1 1 1    5   37    0 o   20.404   9.8659 0.000000 0.000000 
1 1 1    5   37    1 o   22.906   7.3978 -1.052294 14.79566 
1 1 1    5   37    2 o   28.221   8.2619 3.147398 16.52386 
1 1 1    5   37    3 o   28.978   7.9359 12.55776 15.87185 
1 1 1    5   37    4 o   19.903   6.6720 2.668354 13.34398 
1 1 1    5   37    5 o   33.089   8.0117 -12.20381 16.02341 
1 1 1    5   37    6 o   32.883   8.4435 -13.86945 16.88705 
1 1 1    5   37    7 o   23.073   7.2795 2.429016 14.55900 
1 1 1    5   37    8 o   28.639   7.9698 7.159882 15.93957 
1 1 1    5   37    9 o   27.911   7.8254 -4.995111 15.65087 
1 1 1    5   37   10 o   30.143   8.3193 17.74917 16.63857 
1 1 1    5   37   11 f   22.051   7.1727 -8.604654 14.34530 
1 1 1    5   38    0 o   19.334   9.2768 0.000000 0.000000 
1 1 1    5   38    1 o   26.001   7.5556 10.82851 15.11129 
1 1 1    5   38    2 o   16.017   5.6340 -0.4895658 11.26806 
1 1 1    5   38    3 o   22.193   7.1077 6.381876 14.21540 
1 1 1    5   38    4 o   37.415   8.1286 16.99451 16.25719 
1 1 1    5   38    5 o   31.383   8.2828 -0.9032669 16.56559 
1 1 1    5   38    6 o   51.565   7.6986 10.57256 15.39712 
1 1 1    5   38    7 x  ?   ?       ?      ? 
1 1 1    6    0    0 o  540.410   5.6600 0.000000 0.000000 
1 1 1    6    0    1 o  202.556   1.5791 0.000000 0.000000 
1 1 1    6    0    2 o  551.128   4.0804 0.000000 0.000000 
1 1 1    6    0    3 o  471.813   3.5031 0.000000 0.000000 
1 1 1    6    0    4 o  214.197   1.7065 0.000000 0.000000 
1 1 1    6    0    5 o   17.335   6.1081 0.000000 0.000000 
1 1 1    6    0    6 o  247.092   1.9563 0.000000 0.000000 
1 1 1    6    0    7 o  375.871   4.0075 0.000000 0.000000 
1 1 1    6    0    8 o  763.368   5.6563 0.000000 0.000000 
1 1 1    6    0    9 o  296.327   2.3275 0.000000 0.000000 
1 1 1    6    0   10 o  141.604   2.4521 0.000000 0.000000 
1 1 1    6    0   11 o  403.330   3.5501 0.000000 0.000000 
1 1 1    6    0   12 f   89.537   3.4252 0.000000 0.000000 
1 1 1    6    0   13 o  247.968   2.5254 0.000000 0.000000 
1 1 1    6    0   14 o  386.445   3.6997 0.000000 0.000000 
1 1 1    6    0   15 o  279.835   2.4898 0.000000 0.000000 
1 1 1    6    0   16 f  557.362   4.2258 0.000000 0.000000 
1 1 1    6    0   17 o  191.551   2.6729 0.000000 0.000000 
1 1 1    6    0   18 o  209.109   2.7533 0.000000 0.000000 
1 1 1    6    0   19 o   42.776   11.371 0.000000 0.000000 
1 1 1    6    0   20 o   68.600   8.4311 0.000000 0.000000 
1 1 1    6    0   21 o  165.517   3.7753 0.000000 0.000000 
1 1 1    6    0   22 o  236.001   3.9462 0.000000 0.000000 
1 1 1    6    0   23 o  227.118   3.7069 0.000000 0.000000 
1 1 1    6    0   24 o  234.412   5.3795 0.000000 0.000000 
1 1 1    6    0   25 o  314.037   3.5550 0.000000 0.000000 
1 1 1    6    0   26 o  222.882   4.4446 0.000000 0.000000 
1 1 1    6    0   27 o   47.458   13.955 0.000000 0.000000 
1 1 1    6    0   28 o  198.611   5.7560 0.000000 0.000000 
1 1 1    6    0   29 o   56.685   15.330 0.000000 0.000000 
1 1 1    6    0   30 o  289.793   3.8537 0.000000 0.000000 
1 1 1    6    0   31 o   33.845   13.260 0.000000 0.000000 
1 1 1    6    0   32 o   17.925   9.1921 0.000000 0.000000 
1 1 1    6    0   33 o   33.052   13.603 0.000000 0.000000 
1 1 1    6    0   34 o   18.452   9.5447 0.000000 0.000000 
1 1 1    6    0   35 o   21.745   10.726 0.000000 0.000000 
1 1 1    6    0   36 o   26.937   12.398 0.000000 0.000000 
1 1 1    6    0   37 o   85.016   10.509 0.000000 0.000000 
1 1 1    6    0   38 o   57.503   13.699 0.000000 0.000000 
1 1 1    6    0   39 o   20.499   10.015 0.000000 0.000000 
1 1 1    6    1    0 o  206.463   1.6012 0.000000 0.000000 
1 1 1    6    1    1 o  232.696   1.2557 -1.656601 2.511301 
1 1 1    6    1    2 o  351.386   1.8532 -2.881378 3.706428 
1 1 1    6    1    3 o  601.182   3.1460 3.791931 6.292059 
1 1 1    6    1    4 o  441.977   2.3253 3.734924 4.650687 
1 1 1    6    1    5 o  263.600   1.4418 4.244659 2.883508 
1 1 1    6    1    6 o  569.533   2.9917 2.138672 5.983309 
1 1 1    6    1    7 f  235.864   1.3486 -0.9445953 2.697146 
1 1 1    6    1    8 o  440.024   2.3315 -3.649536 4.662904 
1 1 1    6    1    9 o  158.292   1.2235 -2.508987 2.447080 
1 1 1    6    1   10 f  246.309   1.5120 2.518677 3.024033 
1 1 1    6    1   11 f  259.695   1.5632 3.455658 3.126481 
1 1 1    6    1   12 o  153.136   1.4675 -4.046112 2.934951 
1 1 1    6    1   13 o  174.745   1.7779 2.220581 3.555717 
1 1 1    6    1   14 o  417.693   2.3564 3.378693 4.712737 
1 1 1    6    1   15 o  341.049   2.1224 -3.085388 4.244859 
1 1 1    6    1   16 o   88.661   3.1646 -6.848587 6.329170 
1 1 1    6    1   17 o  478.069   2.6183 3.364014 5.236671 
1 1 1    6    1   18 o  258.680   2.0420 -6.607498 4.083981 
1 1 1    6    1   19 o  302.715   2.0464 -3.476471 4.092835 
1 1 1    6    1   20 o  113.901   3.4173 -2.435555 6.834512 
1 1 1    6    1   21 o   48.693   8.5375 -5.469677 17.07499 
1 1 1    6    1   22 x  ?   ?       ?      ? 
1 1 1    6    1   23 o  211.395   2.7557 2.878265 5.511313 
1 1 1    6    1   24 o  309.006   3.6718 41.20258 7.343606 
1 1 1    6    1   25 o  532.082   3.0598 4.322815 6.119689 
1 1 1    6    1   26 o  278.215   2.7975 1.632813 5.594945 
1 1 1    6    1   27 f  113.891   5.4704 25.75244 10.94076 
1 1 1    6    1   28 o  216.489   3.0952 -7.383911 6.190320 
1 1 1    6    1   29 o   54.226   10.814 -0.5249367 21.62813 
1 1 1    6    1   30 o   49.145   11.338 10.52956 22.67693 
1 1 1    6    1   31 o  214.417   2.8792 0.2767029 5.758442 
1 1 1    6    1   32 o   79.272   7.5645 -4.384666 15.12901 
1 1 1    6    1   33 o   86.165   6.5381 20.91429 13.07614 
1 1 1    6    1   34 o   48.167   10.360 -8.757519 20.72007 
1 1 1    6    1   35 o   38.954   10.009 15.55697 20.01800 
1 1 1    6    1   36 o   88.432   6.2832 2.655632 12.56637 
1 1 1    6    1   37 o   75.536   7.1528 0.7501297 14.30559 
1 1 1    6    1   38 o   71.030   8.2124 15.88093 16.42481 
1 1 1    6    1   39 o   24.588   8.0049 -6.795135 16.00987 
1 1 1    6    2    0 o  475.754   3.5267 0.000000 0.000000 
1 1 1    6    2    1 o  495.728   2.5955 2.648224 5.190906 
1 1 1    6    2    2 o  607.716   3.1789 3.411682 6.357804 
1 1 1    6    2    3 o  183.124   1.1432 -3.921143 2.286408 
1 1 1    6    2    4 o  764.087   3.9958 3.097595 7.991521 
1 1 1    6    2    5 o  814.648   4.2600 -3.053650 8.520092 
1 1 1    6    2    6 o  103.175   1.2685 5.459816 2.536952 
1 1 1    6    2    7 o  383.650   2.2083 4.496063 4.416616 
1 1 1    6    2    8 o  238.682   1.9612 24.66205 3.922397 
1 1 1    6    2    9 o  166.439   1.2691 6.124786 2.538162 
1 1 1    6    2   10 f  481.824   2.6402 0.1732483 5.280341 
1 1 1    6    2   11 o  289.593   1.6729 3.631378 3.345893 
1 1 1    6    2   12 o  192.523   1.4237 1.664398 2.847390 
1 1 1    6    2   13 o  172.781   1.5661 -5.464111 3.132107 
1 1 1    6    2   14 o  142.538   1.8171 -5.046417 3.634280 
1 1 1    6    2   15 o  150.431   1.8353 0.5608978 3.670621 
1 1 1    6    2   16 o  299.356   2.1440 0.7395325 4.288041 
1 1 1    6    2   17 o  359.956   2.1047 0.2036743 4.209317 
1 1 1    6    2   18 o  260.845   1.9333 5.561707 3.866571 
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1 1 1    6    9    9 o  706.528   3.7199 -4.080383 7.439739 
1 1 1    6    9   10 f  337.912   2.0222 5.940674 4.044467 
1 1 1    6    9   11 o  534.741   3.0638 6.376953 6.127673 
1 1 1    6    9   12 o  313.427   2.0645 -0.4622192 4.128998 
1 1 1    6    9   13 o  265.911   1.6404 -2.925110 3.280735 
1 1 1    6    9   14 o  522.842   2.8903 -4.322083 5.780562 
1 1 1    6    9   15 o  375.875   2.2013 3.061462 4.402623 
1 1 1    6    9   16 o  368.233   2.2006 -0.6372070E-01 4.401167 
1 1 1    6    9   17 o  678.865   3.9001 -5.096497 7.800111 
1 1 1    6    9   18 o  365.612   2.3676 -8.097687 4.735202 
1 1 1    6    9   19 o  618.883   3.4416 -11.77313 6.883156 
1 1 1    6    9   20 o  166.839   2.8102 -6.284424 5.620471 
1 1 1    6    9   21 o   74.557   7.0820 -13.20892 14.16401 
1 1 1    6    9   22 f  619.063   3.4846 12.35858 6.969261 
1 1 1    6    9   23 o  217.622   3.0774 4.188324 6.154824 
1 1 1    6    9   24 o  280.210   3.4062 12.04562 6.812381 
1 1 1    6    9   25 o  123.311   4.6420 3.262993 9.283914 
1 1 1    6    9   26 o  137.116   5.6702 3.814026 11.34048 
1 1 1    6    9   27 o  152.678   3.8926 5.258026 7.785153 
1 1 1    6    9   28 o   88.176   6.5756 -2.674988 13.15125 
1 1 1    6    9   29 o  130.416   4.4193 -3.764374 8.838656 
1 1 1    6    9   30 o   23.802   8.0080 4.057356 16.01598 
1 1 1    6    9   31 o  132.776   4.1890 9.854202 8.377939 
1 1 1    6    9   32 o  124.925   4.4167 -10.69759 8.833427 
1 1 1    6    9   33 o   84.627   6.9396 13.99525 13.87919 
1 1 1    6    9   34 o   47.056   10.185 -2.484570 20.37080 
1 1 1    6    9   35 o   32.358   9.5690 8.110823 19.13801 
1 1 1    6    9   36 o   40.664   10.363 -3.966011 20.72651 
1 1 1    6    9   37 o   47.406   10.122 -2.446201 20.24446 
1 1 1    6    9   38 o   43.716   9.6104 2.274330 19.22075 
1 1 1    6   10    0 o  157.280   1.5931 0.000000 0.000000 
1 1 1    6   10    1 o  153.474   1.1289 -0.3778534 2.257733 
1 1 1    6   10    2 o  344.001   1.8542 1.144867 3.708452 
1 1 1    6   10    3 o  121.481   1.5612 2.671799 3.122390 
1 1 1    6   10    4 o  390.481   2.4158 -0.2960815 4.831546 
1 1 1    6   10    5 o  268.868   1.7744 0.3119507 3.548863 
1 1 1    6   10    6 o  247.494   1.6896 0.1207581 3.379176 
1 1 1    6   10    7 o  179.807   1.6742 -0.5810089 3.348483 
1 1 1    6   10    8 o  442.958   2.3719 -0.2391968 4.743857 
1 1 1    6   10    9 o  386.438   2.2661 6.406067 4.532115 
1 1 1    6   10   10 o  273.352   1.6005 5.200195 3.200938 
1 1 1    6   10   11 o  171.682   1.4127 -1.140213 2.825307 
1 1 1    6   10   12 o  420.699   2.2797 2.653107 4.559486 
1 1 1    6   10   13 f  356.043   2.1597 2.580475 4.319354 
1 1 1    6   10   14 o  123.749   2.0489 3.262665 4.097891 
1 1 1    6   10   15 o   66.509   4.0548 -8.770287 8.109694 
1 1 1    6   10   16 o  467.302   2.6531 4.174255 5.306124 
1 1 1    6   10   17 o  425.495   2.4865 1.700592 4.973029 
1 1 1    6   10   18 o  544.703   3.0430 5.238525 6.086098 
1 1 1    6   10   19 o  355.473   2.2960 -13.85623 4.591993 
1 1 1    6   10   20 o  209.141   4.2203      ?      ? 
1 1 1    6   10   21 o  578.835   3.2846 2.337891 6.569232 
1 1 1    6   10   22 o  307.538   2.4117 -4.165894 4.823364 
1 1 1    6   10   23 o  204.204   2.9225 -9.072327 5.844953 
1 1 1    6   10   24 f  389.557   2.6318 -2.491180 5.263511 
1 1 1    6   10   25 o  121.301   4.6865 0.4454041 9.373038 
1 1 1    6   10   26 o   47.375   9.7858 -29.11937 19.57154 
1 1 1    6   10   27 o   23.328   7.8426 4.287491 15.68526 
1 1 1    6   10   28 o  148.596   4.0805 2.378906 8.161022 
1 1 1    6   10   29 o  288.609   2.6249 4.457123 5.249815 
1 1 1    6   10   30 o  151.417   3.6470 0.6719971 7.294098 
1 1 1    6   10   31 o  188.431   3.2749 -2.765396 6.549818 
1 1 1    6   10   32 o  155.914   4.6157 -66.35699 9.231442 
1 1 1    6   10   33 o  116.080   4.7501 -7.129646 9.500167 
1 1 1    6   10   34 o   39.049   10.230 -4.463512 20.45911 
1 1 1    6   10   35 o   74.921   6.9930 3.895988 13.98605 
1 1 1    6   10   36 o   39.471   10.225 -7.721256 20.45020 
1 1 1    6   10   37 o   26.889   8.7452 0.7215042 17.49044 
1 1 1    6   10   38 o   42.734   9.2834 -6.727097 18.56685 
1 1 1    6   11    0 o  257.250   2.0597 0.000000 0.000000 
1 1 1    6   11    1 o  369.633   1.9830 -0.7093201 3.965986 
1 1 1    6   11    2 o   45.630   2.7082 4.365459 5.416494 
1 1 1    6   11    3 o  276.397   2.1788 -4.051727 4.357558 
1 1 1    6   11    4 o  312.379   1.9898 -2.443115 3.979546 
1 1 1    6   11    5 o  374.389   2.3375 -3.505341 4.675008 
1 1 1    6   11    6 o  140.852   1.6834 5.840836 3.366769 
1 1 1    6   11    7 o  460.241   2.8358 -3.670624 5.671571 
1 1 1    6   11    8 o  182.838   1.7509 2.869797 3.501859 
1 1 1    6   11    9 o   60.964   2.3266 -4.128342 4.653237 
1 1 1    6   11   10 o  304.663   1.7287 4.137848 3.457435 
1 1 1    6   11   11 o  176.296   1.4800 -0.6664276 2.959975 
1 1 1    6   11   12 o  399.231   2.1857 -1.373322 4.371491 
1 1 1    6   11   13 o  393.094   2.4932 1.735657 4.986371 
1 1 1    6   11   14 o   56.817   3.9981 0.3405838 7.996131 
1 1 1    6   11   15 o  338.694   2.0788 0.3066711 4.157555 
1 1 1    6   11   16 o  523.002   2.9256 1.976379 5.851252 
1 1 1    6   11   17 o  237.034   1.9425 -7.547211 3.884962 
1 1 1    6   11   18 o  354.986   2.2448 -5.764771 4.489565 
1 1 1    6   11   19 o  162.087   3.0013 -17.17926 6.002629 
1 1 1    6   11   20 o  252.702   2.2858 -5.923950 4.571640 
1 1 1    6   11   21 o  302.034   2.4898 -2.960510 4.979683 
1 1 1    6   11   22 o  268.746   2.4081 -0.1817932 4.816164 
1 1 1    6   11   23 o  199.428   3.7371 66.65984 7.474160 
1 1 1    6   11   24 o  260.189   2.5746 -2.324677 5.149166 
1 1 1    6   11   25 o  173.227   3.3460 5.692398 6.692066 
1 1 1    6   11   26 o  149.807   3.8168 2.447083 7.633634 
1 1 1    6   11   27 o  350.363   2.5821 -0.8717041 5.164187 
1 1 1    6   11   28 o  212.204   2.8046 0.6579742 5.609292 
1 1 1    6   11   29 o   65.166   8.0420 -11.50888 16.08399 
1 1 1    6   11   30 o   94.222   5.5191 13.97615 11.03827 
1 1 1    6   11   31 o  118.081   4.7233 0.4415436 9.446687 
1 1 1    6   11   32 o   94.095   5.8425 2.265228 11.68498 
1 1 1    6   11   33 o   25.321   8.3234 -3.855362 16.64672 
1 1 1    6   11   34 o  134.630   4.7959 -12.96277 9.591712 
1 1 1    6   11   35 o   67.592   8.5609 16.50625 17.12176 
1 1 1    6   11   36 o   27.457   8.7246 12.07726 17.44911 
1 1 1    6   11   37 o   22.564   7.6843 5.841415 15.36868 
1 1 1    6   12    0 o  244.833   2.4378 0.000000 0.000000 
1 1 1    6   12    1 o  155.046   1.2252 -1.627075 2.450498 
1 1 1    6   12    2 o  346.290   1.9404 0.9313965E-01 3.880712 
1 1 1    6   12    3 o  208.360   1.3508 -0.9689331E-02 2.701566 
1 1 1    6   12    4 o  269.817   1.7986 0.6952515 3.597201 
1 1 1    6   12    5 o  225.981   1.7881 -3.830139 3.576185 
1 1 1    6   12    6 o  355.780   2.2475 -2.827850 4.495014 
1 1 1    6   12    7 o  199.407   1.5982 3.485321 3.196357 
1 1 1    6   12    8 o   83.013   2.3612 -2.461449 4.722370 
1 1 1    6   12    9 f  141.326   1.3145 1.828690 2.628966 
1 1 1    6   12   10 o  213.344   1.4367 5.605392 2.873377 
1 1 1    6   12   11 o  289.952   1.8732 -0.7361145 3.746359 
1 1 1    6   12   12 o   79.426   2.6123 -2.074783 5.224576 
1 1 1    6   12   13 o  150.128   1.9011 10.76743 3.802248 
1 1 1    6   12   14 o  541.269   2.9035 4.768555 5.806945 
1 1 1    6   12   15 o  428.155   2.5895 -2.122131 5.178949 
1 1 1    6   12   16 o  593.323   3.2850 1.989990 6.570084 
1 1 1    6   12   17 o  442.336   2.5594 5.028595 5.118855 
1 1 1    6   12   18 o  240.347   2.1281 -8.760361 4.256297 
1 1 1    6   12   19 o  342.218   2.3132 -0.2738037 4.626448 
1 1 1    6   12   20 o  484.127   2.8527 -7.338379 5.705312 
1 1 1    6   12   21 o  203.999   2.6543 -11.10043 5.308517 
1 1 1    6   12   22 o  139.440   3.6851 -19.44667 7.370261 
1 1 1    6   12   23 o  172.697   3.1391 -2.081207 6.278156 
1 1 1    6   12   24 f  273.494   2.9339 3.379913 5.867754 
1 1 1    6   12   25 o   37.507   9.9621 8.953568 19.92430 
1 1 1    6   12   26 o  179.611   3.2243 1.931931 6.448534 
1 1 1    6   12   27 f  103.827   5.2287 -10.02030 10.45739 
1 1 1    6   12   28 o  199.161   2.9255 1.655884 5.850949 
1 1 1    6   12   29 o   32.005   9.4497 -5.001545 18.89932 
1 1 1    6   12   30 o   56.280   9.0173 -14.29939 18.03459 
1 1 1    6   12   31 o  137.585   3.9245 -7.252701 7.849024 
1 1 1    6   12   32 o   59.935   8.8653 -8.059814 17.73052 
1 1 1    6   12   33 o   57.453   7.7907 57.88242 15.58132 
1 1 1    6   12   34 o   68.147   7.9652 -11.82735 15.93045 
1 1 1    6   12   35 f   26.999   8.8369 -8.729250 17.67383 
1 1 1    6   12   36 o   68.981   8.5653 -17.42248 17.13058 
1 1 1    6   12   37 o   22.435   7.5482 -1.794249 15.09639 
1 1 1    6   13    0 o   35.297   6.7616 0.000000 0.000000 
1 1 1    6   13    1 o  215.840   1.3873 3.044052 2.774552 
1 1 1    6   13    2 o  470.155   2.5821 -1.887543 5.164118 
1 1 1    6   13    3 o  291.550   2.0031 -5.510071 4.006167 
1 1 1    6   13    4 o  102.033   2.1094 12.99851 4.218721 
1 1 1    6   13    5 o  334.871   2.1389 1.547211 4.277823 
1 1 1    6   13    6 o  232.322   1.7037 0.5414886 3.407440 
1 1 1    6   13    7 o  466.803   2.8825 -1.125702 5.765083 
1 1 1    6   13    8 o  357.200   2.2875 2.085205 4.574950 
1 1 1    6   13    9 f  156.140   1.7500 3.847504 3.500069 
1 1 1    6   13   10 o  452.515   2.4412 8.640594 4.882320 
1 1 1    6   13   11 o  249.861   1.5915 3.108109 3.182974 
1 1 1    6   13   12 o  170.917   1.6454 -0.6692352 3.290798 
1 1 1    6   13   13 o   39.072   5.5889 -21.50965 11.17774 
1 1 1    6   13   14 o  270.979   1.7909 0.9323730 3.581822 
1 1 1    6   13   15 o  349.321   2.1436 5.198425 4.287129 
1 1 1    6   13   16 o  106.547   2.9714 0.2655258 5.942808 
1 1 1    6   13   17 o  274.441   2.1163 -7.267517 4.232603 
1 1 1    6   13   18 x  ?   ?       ?      ? 
1 1 1    6   13   19 o  170.146   2.7247 1.468506 5.449489 
1 1 1    6   13   20 o  546.404   3.1195 16.31183 6.239034 
1 1 1    6   13   21 o  425.879   2.6333 -10.33310 5.266560 
1 1 1    6   13   22 o  227.888   3.5170 20.20316 7.034051 
1 1 1    6   13   23 o  165.165   3.5777 9.210892 7.155396 
1 1 1    6   13   24 o  171.865   3.1786 -4.447601 6.357129 
1 1 1    6   13   25 o  145.098   3.8114 0.4020691 7.622726 
1 1 1    6   13   26 o   39.136   10.191 -4.999702 20.38193 
1 1 1    6   13   27 o   58.817   8.8548 12.15306 17.70966 
1 1 1    6   13   28 o   33.368   9.5968 -5.415585 19.19352 
1 1 1    6   13   29 o   50.139   8.6667 23.45436 17.33349 
1 1 1    6   13   30 o  110.911   4.5192 -4.637352 9.038427 
1 1 1    6   13   31 o   48.725   9.9040 1.763474 19.80791 
1 1 1    6   13   32 o  120.377   4.3230 -3.331268 8.646045 
1 1 1    6   13   33 o   80.794   6.1899 -4.999077 12.37970 
1 1 1    6   13   34 o   92.275   5.5937 -16.55943 11.18746 
1 1 1    6   13   35 o   44.304   10.123 4.325733 20.24585 
1 1 1    6   13   36 f   67.792   7.9437 -5.002930 15.88743 
1 1 1    6   13   37 o   35.819   10.446 -2.298992 20.89288 
1 1 1    6   14    0 o   93.895   2.4618 0.000000 0.000000 
1 1 1    6   14    1 f  260.432   1.5755 -0.2103882 3.150954 
1 1 1    6   14    2 o   95.896   1.7046 -2.174500 3.409254 
1 1 1    6   14    3 o  181.244   1.6212 -6.211960 3.242477 
1 1 1    6   14    4 f  219.487   1.5060 -5.236633 3.012033 
1 1 1    6   14    5 o  235.876   2.0351 1.229782 4.070250 
1 1 1    6   14    6 o  593.736   4.4323 -21.99310 8.864639 
1 1 1    6   14    7 o   69.439   3.0668 -10.82771 6.133687 
1 1 1    6   14    8 o  546.890   3.3597 -1.392029 6.719490 
1 1 1    6   14    9 o  246.091   1.7242 3.626022 3.448472 
1 1 1    6   14   10 f  121.845   1.5792 0.8315201 3.158329 
1 1 1    6   14   11 o  389.682   2.3391 3.819336 4.678250 
1 1 1    6   14   12 o  248.923   1.6881 -0.3923950 3.376150 
1 1 1    6   14   13 o  191.064   1.7068 1.798492 3.413672 
1 1 1    6   14   14 o  290.307   1.8678 1.742340 3.735563 
1 1 1    6   14   15 o  217.962   1.8995 1.964630 3.799072 
1 1 1    6   14   16 o  281.283   2.0192 -3.890503 4.038387 
1 1 1    6   14   17 o  269.870   2.2367 -9.313477 4.473440 
1 1 1    6   14   18 o  493.339   2.8640 -0.9531555 5.727949 
1 1 1    6   14   19 o  619.279   3.4844 -5.214783 6.968840 
1 1 1    6   14   20 o  228.145   2.4207 -4.320801 4.841495 
1 1 1    6   14   21 o  278.974   2.4460 8.193542 4.892033 
1 1 1    6   14   22 o  284.648   2.4620 0.3439941 4.923913 
1 1 1    6   14   23 o  242.149   2.5425 -2.114258 5.085001 
1 1 1    6   14   24 o   78.142   6.5238 5.213890 13.04760 
1 1 1    6   14   25 o   63.541   8.1658 -20.68038 16.33170 
1 1 1    6   14   26 o  114.177   4.4594 4.253738 8.918864 
1 1 1    6   14   27 o   35.146   9.7401 1.068520 19.48030 
1 1 1    6   14   28 o   41.446   9.9732 -4.144882 19.94648 
1 1 1    6   14   29 o   35.287   9.3164 8.976421 18.63289 
1 1 1    6   14   30 o  151.707   3.5194 0.9112854 7.038867 
1 1 1    6   14   31 o   35.788   9.7277 0.1359062 19.45530 
1 1 1    6   14   32 o   86.762   5.9027 16.62866 11.80541 
1 1 1    6   14   33 o   37.895   9.9315 -4.911579 19.86307 
1 1 1    6   14   34 o   27.801   8.8041 -7.111179 17.60828 
1 1 1    6   14   35 o   46.012   10.216 6.818550 20.43155 
1 1 1    6   14   36 o   25.581   8.3164 -14.22107 16.63271 
1 1 1    6   15    0 o   17.936   6.3699 0.000000 0.000000 
1 1 1    6   15    1 o   50.368   2.9668 -8.071445 5.933668 
1 1 1    6   15    2 f  205.102   1.7046 1.739807 3.409168 
1 1 1    6   15    3 o  404.810   2.2581 4.651306 4.516266 
1 1 1    6   15    4 o  129.146   1.5372 3.550888 3.074431 
1 1 1    6   15    5 o  253.512   1.8213 -7.091522 3.642624 
1 1 1    6   15    6 o  367.584   2.3552 2.364716 4.710407 
1 1 1    6   15    7 o  136.652   1.9693 7.198578 3.938580 
1 1 1    6   15    8 o  290.611   2.0211 -3.868500 4.042149 
1 1 1    6   15    9 o  100.824   2.1875 -3.127640 4.375041 
1 1 1    6   15   10 o  232.365   1.9058 -1.515320 3.811530 
1 1 1    6   15   11 o  553.695   3.4183 -0.4994507 6.836597 
1 1 1    6   15   12 o  366.281   2.0982 -2.004211 4.196334 
1 1 1    6   15   13 o  441.916   2.6433 -6.154510 5.286694 
1 1 1    6   15   14 o  234.411   1.8998 -1.460129 3.799670 
1 1 1    6   15   15 o  600.553   3.2231 3.222046 6.446257 
1 1 1    6   15   16 o  223.824   2.4758 -19.66231 4.951678 
1 1 1    6   15   17 o  282.056   2.2023 -9.306763 4.404689 
1 1 1    6   15   18 o  141.082   4.3278 -43.16233 8.655598 
1 1 1    6   15   19 f   60.870   8.2486 -37.82579 16.49716 
1 1 1    6   15   20 o  193.266   2.6281 -0.8429871 5.256155 
1 1 1    6   15   21 o  161.311   3.1228 -4.766022 6.245685 
1 1 1    6   15   22 o  125.412   4.4796 -2.074417 8.959196 
1 1 1    6   15   23 o  168.662   3.2741 -2.648331 6.548211 
1 1 1    6   15   24 o  170.338   3.1557 -3.338089 6.311381 
1 1 1    6   15   25 o  156.425   4.0900 2.828903 8.179903 
1 1 1    6   15   26 o   99.947   4.9840 11.48162 9.968019 
1 1 1    6   15   27 o   34.953   9.5088 0.8271370 19.01750 
1 1 1    6   15   28 o  104.819   4.5442 -0.7043076 9.088480 
1 1 1    6   15   29 o  134.645   3.7448 7.543915 7.489590 
1 1 1    6   15   30 f   52.761   8.6452 -33.58052 17.29036 
1 1 1    6   15   31 o   45.098   9.6105 2.725517 19.22096 
1 1 1    6   15   32 o   24.739   8.0865 -14.38888 16.17303 
1 1 1    6   15   33 o   34.321   9.5641 -0.1250954 19.12817 
1 1 1    6   15   34 o   70.660   7.5268 6.945869 15.05354 
1 1 1    6   15   35 o   51.195   9.4142 3.084850 18.82846 
1 1 1    6   15   36 o   40.383   9.4838 3.304111 18.96765 
1 1 1    6   16    0 o  257.187   3.0127 0.000000 0.000000 
1 1 1    6   16    1 o  138.951   1.5415 1.431931 3.083001 
1 1 1    6   16    2 o  152.104   1.5098 8.270187 3.019533 
1 1 1    6   16    3 o  182.289   1.5559 5.970871 3.111769 
1 1 1    6   16    4 o  271.515   1.7502 1.401703 3.500400 
1 1 1    6   16    5 o  135.270   1.9544 -7.431412 3.908749 
1 1 1    6   16    6 f  233.200   1.5139 -1.867508 3.027805 
1 1 1    6   16    7 o  571.014   3.5077 4.287415 7.015440 
1 1 1    6   16    8 o  479.871   4.2563      ?      ? 
1 1 1    6   16    9 o  292.155   1.9757 -5.608795 3.951486 
1 1 1    6   16   10 o  100.763   2.0084 0.4123993 4.016828 
1 1 1    6   16   11 o  456.787   2.5019 4.388580 5.003729 
1 1 1    6   16   12 o  337.495   2.1510 -5.411774 4.301925 
1 1 1    6   16   13 o   64.209   4.8070 -12.70314 9.613900 
1 1 1    6   16   14 o  403.723   2.3194 4.733398 4.638819 
1 1 1    6   16   15 o  185.035   2.4312 -9.063126 4.862307 
1 1 1    6   16   16 o  231.830   2.1441 -12.35501 4.288204 
1 1 1    6   16   17 o  771.376   4.2450 4.567932 8.489976 
1 1 1    6   16   18 o  147.835   2.9576 -5.473145 5.915295 
1 1 1    6   16   19 o  202.240   2.4713 -8.850067 4.942565 
1 1 1    6   16   20 o  259.660   3.9883      ?      ? 
1 1 1    6   16   21 o  173.044   2.9049 1.277481 5.809763 
1 1 1    6   16   22 o   72.196   7.3562 -4.977844 14.71248 
1 1 1    6   16   23 o  120.268   4.1987 0.8964157 8.397335 
1 1 1    6   16   24 o   68.865   7.2075 -13.01946 14.41499 
1 1 1    6   16   25 o   90.897   5.3438 -9.273201 10.68767 
1 1 1    6   16   26 o   68.591   7.2692 9.303696 14.53847 
1 1 1    6   16   27 o  139.312   3.5141 4.381104 7.028135 
1 1 1    6   16   28 o   22.903   7.6402 -2.455433 15.28034 
1 1 1    6   16   29 o   53.117   9.1603 11.72849 18.32050 
1 1 1    6   16   30 o   79.000   6.3043 9.077621 12.60855 
1 1 1    6   16   31 o  139.565   3.7308 2.195160 7.461688 
1 1 1    6   16   32 o   40.998   9.1255 18.67763 18.25108 
1 1 1    6   16   33 o   32.278   8.7305 18.70744 17.46100 
1 1 1    6   16   34 o  144.523   3.5589 -7.992142 7.117861 
1 1 1    6   16   35 o   35.726   9.7334 -4.319542 19.46688 
1 1 1    6   16   36 x  ?   ?       ?      ? 
1 1 1    6   17    0 o  150.159   2.8258 0.000000 0.000000 
1 1 1    6   17    1 o  447.849   2.6042 7.726013 5.208305 
1 1 1    6   17    2 o  265.478   1.7819 -7.246399 3.563751 
1 1 1    6   17    3 o  438.319   2.5738 -15.24429 5.147564 
1 1 1    6   17    4 o  266.504   2.0997      ?      ? 
1 1 1    6   17    5 o  350.309   2.1461 -0.4671936 4.292248 
1 1 1    6   17    6 o  106.727   1.7913 -0.2947998 3.582517 
1 1 1    6   17    7 o  156.036   1.8753 -9.515289 3.750530 
1 1 1    6   17    8 o  200.560   1.5642 -4.812210 3.128366 
1 1 1    6   17    9 o  272.483   1.7353 -4.451080 3.470572 
1 1 1    6   17   10 o  219.508   1.6549 -7.819885 3.309711 
1 1 1    6   17   11 o  102.799   2.2103 -1.162842 4.420642 
1 1 1    6   17   12 o  180.354   1.9510 5.019089 3.901941 
1 1 1    6   17   13 o  545.138   2.9602 0.9843140 5.920476 
1 1 1    6   17   14 o  224.892   4.0712      ?      ? 
1 1 1    6   17   15 o  354.954   2.2110 -5.283905 4.421973 
1 1 1    6   17   16 o  153.696   2.8033 2.625839 5.606610 
1 1 1    6   17   17 o  262.884   2.2117 -5.227325 4.423344 
1 1 1    6   17   18 o  224.009   2.5967 -1.680298 5.193316 
1 1 1    6   17   19 o  339.092   2.4910 0.8597717 4.981966 
1 1 1    6   17   20 o  236.356   2.3981 3.076965 4.796283 
1 1 1    6   17   21 o  185.583   2.7850 -0.8176880 5.569939 
1 1 1    6   17   22 o   33.945   9.4676 -5.392273 18.93515 
1 1 1    6   17   23 o  118.294   4.2531 3.068352 8.506275 
1 1 1    6   17   24 o   33.527   9.1203 -15.54706 18.24061 
1 1 1    6   17   25 o   34.584   8.9709 -19.45005 17.94185 
1 1 1    6   17   26 o   97.008   4.7336 -20.21028 9.467164 
1 1 1    6   17   27 o   73.666   6.1251 -9.215164 12.25021 
1 1 1    6   17   28 o  147.798   3.3096 8.423309 6.619299 
1 1 1    6   17   29 o   72.003   6.8974 -23.98417 13.79476 
1 1 1    6   17   30 o   60.232   8.0213 9.356411 16.04251 
1 1 1    6   17   31 o   71.895   7.3110 13.39037 14.62194 
1 1 1    6   17   32 o   31.403   9.2150 -13.74209 18.42993 
1 1 1    6   17   33 o   75.251   6.5217 -1.677994 13.04339 
1 1 1    6   17   34 f   32.111   9.4745 -4.810452 18.94898 
1 1 1    6   17   35 o   26.792   8.4342 -16.73493 16.86836 
1 1 1    6   18    0 x  ?   ?       ?      ? 
1 1 1    6   18    1 o  269.163   1.9252 0.4360657 3.850480 
1 1 1    6   18    2 o  452.418   3.1597 -11.94406 6.319448 
1 1 1    6   18    3 o   60.826   5.1851 -32.70617 10.37026 
1 1 1    6   18    4 o   75.735   3.1122 -8.585960 6.224386 
1 1 1    6   18    5 o  402.432   2.2299 -1.773773 4.459745 
1 1 1    6   18    6 f  482.252   2.6165 3.999390 5.232970 
1 1 1    6   18    7 o  346.979   2.0202 -2.032990 4.040440 
1 1 1    6   18    8 o  193.158   1.6546 -3.999466 3.309251 
1 1 1    6   18    9 o   73.879   2.7018 5.451775 5.403504 
1 1 1    6   18   10 o  367.065   2.1311 0.9814453E-01 4.262298 
1 1 1    6   18   11 o  272.067   2.0300 6.066345 4.060083 
1 1 1    6   18   12 o  550.708   3.2518 -11.79199 6.503649 
1 1 1    6   18   13 f  184.011   2.6973 0.2559662 5.394676 
1 1 1    6   18   14 o  489.332   2.7371 2.165405 5.474131 
1 1 1    6   18   15 f  514.634   2.8756 1.485535 5.751298 
1 1 1    6   18   16 o   87.155   4.5464 -2.132660 9.092803 
1 1 1    6   18   17 f   70.019   5.3880 -12.60015 10.77595 
1 1 1    6   18   18 o  399.917   2.6229 5.830322 5.245818 
1 1 1    6   18   19 o  208.731   2.4394 0.8505707 4.878758 
1 1 1    6   18   20 o  145.821   3.3314 4.181412 6.662869 
1 1 1    6   18   21 o  318.960   2.3803 -0.4072876 4.760503 
1 1 1    6   18   22 o  104.449   4.3840 -10.66128 8.767948 
1 1 1    6   18   23 o  166.034   3.0863 6.969727 6.172625 
1 1 1    6   18   24 o   60.432   7.4359 -11.46528 14.87188 
1 1 1    6   18   25 o   40.562   8.1213 26.43494 16.24268 
1 1 1    6   18   26 o   87.698   5.0443 -7.922455 10.08865 
1 1 1    6   18   27 o  292.130   2.3294 2.050415 4.658779 
1 1 1    6   18   28 o  213.978   3.6366 -5.989014 7.273184 
1 1 1    6   18   29 o   39.806   9.4207 6.185001 18.84132 
1 1 1    6   18   30 o  117.325   4.1275 -0.8534775 8.255095 
1 1 1    6   18   31 o   91.697   5.3030 -20.83176 10.60604 
1 1 1    6   18   32 o   36.197   9.6850 -10.49600 19.37005 
1 1 1    6   18   33 o   92.784   5.5947 4.023521 11.18946 
1 1 1    6   18   34 o   56.085   8.8402 -8.533470 17.68048 
1 1 1    6   18   35 x  ?   ?       ?      ? 
1 1 1    6   19    0 o  518.610   4.8061 0.000000 0.000000 
1 1 1    6   19    1 f  383.577   2.3245 -11.21011 4.649101 
1 1 1    6   19    2 o  732.945   3.8722 9.277344 7.744343 
1 1 1    6   19    3 o  367.513   2.4178 -8.120972 4.835676 
1 1 1    6   19    4 o  418.420   2.4946 -0.7982788 4.989115 
1 1 1    6   19    5 f  267.978   1.7782 7.033020 3.556441 
1 1 1    6   19    6 o  292.096   1.8322 -4.192017 3.664371 
1 1 1    6   19    7 o  218.262   1.8087 -6.831284 3.617299 
1 1 1    6   19    8 o  367.516   2.1346 -10.16055 4.269179 
1 1 1    6   19    9 o  118.205   2.1406 -14.96581 4.281253 
1 1 1    6   19   10 o  246.987   2.0398 -4.688019 4.079681 
1 1 1    6   19   11 o  629.805   4.3380 -9.810364 8.675954 
1 1 1    6   19   12 o  250.860   2.3016 -10.91043 4.603163 
1 1 1    6   19   13 o  279.910   2.2656 -6.011017 4.531213 
1 1 1    6   19   14 o  264.196   5.0878      ?      ? 
1 1 1    6   19   15 o  303.620   2.1310 4.126556 4.261957 
1 1 1    6   19   16 o  300.557   2.3083 -1.809631 4.616626 
1 1 1    6   19   17 o  193.562   2.5302 -4.645874 5.060499 
1 1 1    6   19   18 o   41.109   8.9278 2.992500 17.85553 
1 1 1    6   19   19 o   48.843   8.5030 11.92462 17.00599 
1 1 1    6   19   20 o  296.293   2.3300 -5.326019 4.660067 
1 1 1    6   19   21 o  275.977   2.3245 -3.463684 4.649074 
1 1 1    6   19   22 o   96.444   4.6856 3.653412 9.371207 
1 1 1    6   19   23 o  115.634   3.8074 -1.962357 7.614812 
1 1 1    6   19   24 o   42.331   9.3705 -8.937359 18.74094 
1 1 1    6   19   25 o   36.808   9.2198 -1.891975 18.43966 
1 1 1    6   19   26 o  211.434   3.2131      ?      ? 
1 1 1    6   19   27 o   55.168   8.1240 -11.34707 16.24793 
1 1 1    6   19   28 o   25.277   8.1090 -7.413193 16.21797 
1 1 1    6   19   29 o  124.038   3.7496 -6.319412 7.499270 
1 1 1    6   19   30 f   63.168   7.7364 9.578758 15.47288 
1 1 1    6   19   31 o   77.982   6.1195 -2.600945 12.23898 
1 1 1    6   19   32 o   39.474   9.6038 -15.84562 19.20764 
1 1 1    6   19   33 o   53.041   9.3234 -8.052330 18.64672 
1 1 1    6   19   34 o   43.185   9.6403 -2.792919 19.28051 
1 1 1    6   20    0 o  318.353   3.1528 0.000000 0.000000 
1 1 1    6   20    1 o  387.667   2.3612 3.033752 4.722357 
1 1 1    6   20    2 o  296.421   1.8825 1.872101 3.764964 
1 1 1    6   20    3 o   68.731   5.5420 -19.02044 11.08403 
1 1 1    6   20    4 o   16.082   7.8713      ?      ? 
1 1 1    6   20    5 o  417.086   2.7206 -2.206177 5.441155 
1 1 1    6   20    6 o  149.617   2.0860 -10.50381 4.171995 
1 1 1    6   20    7 o   23.737   6.8202 5.955549 13.64048 
1 1 1    6   20    8 o   68.772   6.8614 -54.20100 13.72289 
1 1 1    6   20    9 o  285.500   3.8605      ?      ? 
1 1 1    6   20   10 o   48.865   4.8365 64.91122 9.673011 
1 1 1    6   20   11 o  355.227   2.3933 3.891418 4.786507 
1 1 1    6   20   12 o  283.445   2.3282 -1.722198 4.656335 
1 1 1    6   20   13 o  111.332   3.1846 -19.97533 6.369173 
1 1 1    6   20   14 f  142.146   2.4747 -3.536530 4.949401 
1 1 1    6   20   15 o  287.219   2.6243 6.113098 5.248631 
1 1 1    6   20   16 o   73.072   5.3214 -4.436508 10.64278 
1 1 1    6   20   17 o  137.161   2.9097 2.906815 5.819440 
1 1 1    6   20   18 o   90.449   4.6712 -7.515495 9.342467 
1 1 1    6   20   19 o  238.506   2.3178 -2.150101 4.635544 
1 1 1    6   20   20 o   51.430   7.7881 -24.77364 15.57623 
1 1 1    6   20   21 o  130.309   3.3698 6.081932 6.739655 
1 1 1    6   20   22 o   20.419   6.9103 -2.237413 13.82067 
1 1 1    6   20   23 o   48.192   8.4528 -13.45016 16.90569 
1 1 1    6   20   24 o   75.192   5.4362 3.507904 10.87236 
1 1 1    6   20   25 o  100.938   4.1735 -3.901871 8.346917 
1 1 1    6   20   26 o   26.437   8.3201 -1.270796 16.64015 
1 1 1    6   20   27 o   84.281   5.3319 -24.50000 10.66384 
1 1 1    6   20   28 o  106.495   4.3564 6.794853 8.712735 
1 1 1    6   20   29 o   98.544   5.0056 15.12280 10.01122 
1 1 1    6   20   30 o  100.995   4.6298 -12.17254 9.259524 
1 1 1    6   20   31 o   76.589   6.1474 -13.45468 12.29486 
1 1 1    6   20   32 o   33.198   9.3998 -8.324253 18.79954 
1 1 1    6   20   33 o   23.868   7.9336 -5.280012 15.86729 
1 1 1    6   21    0 o  489.106   4.6104 0.000000 0.000000 
1 1 1    6   21    1 o  210.701   2.0899 2.500137 4.179793 
1 1 1    6   21    2 f  131.031   2.5789 -2.498123 5.157754 
1 1 1    6   21    3 f  243.474   2.0859 -3.395355 4.171770 
1 1 1    6   21    4 o   52.793   6.5540 -54.82796 13.10808 
1 1 1    6   21    5 o   91.572   4.9910 -20.37398 9.982037 
1 1 1    6   21    6 o  335.219   3.0377 -4.413910 6.075318 
1 1 1    6   21    7 o  313.507   2.1470 -4.892700 4.293958 
1 1 1    6   21    8 o  187.242   1.9517 0.8343048 3.903379 
1 1 1    6   21    9 o  191.062   2.0466 -6.272583 4.093266 
1 1 1    6   21   10 o  148.548   2.7895 -1.985687 5.579022 
1 1 1    6   21   11 o  470.861   2.6785 5.161041 5.357067 
1 1 1    6   21   12 o  193.676   2.0261 6.642807 4.052275 
1 1 1    6   21   13 o  267.671   2.0526 -0.2168579 4.105141 
1 1 1    6   21   14 o  119.061   3.2544 7.973877 6.508721 
1 1 1    6   21   15 f  159.981   2.4711 -1.287796 4.942274 
1 1 1    6   21   16 o  136.403   2.8605 -7.992554 5.720991 
1 1 1    6   21   17 o  215.392   2.2836 5.694305 4.567226 
1 1 1    6   21   18 o  170.006   2.5754 1.458649 5.150805 
1 1 1    6   21   19 o  121.103   3.4230 0.3248291 6.845919 
1 1 1    6   21   20 o   69.692   5.7430 10.59740 11.48608 
1 1 1    6   21   21 o   64.984   6.6991 -17.08892 13.39826 
1 1 1    6   21   22 o  134.652   3.1159 -4.278168 6.231711 
1 1 1    6   21   23 o  160.427   2.7523 2.683975 5.504533 
1 1 1    6   21   24 o   65.581   5.9496 -6.649284 11.89924 
1 1 1    6   21   25 o   70.148   6.4613 28.17171 12.92252 
1 1 1    6   21   26 o   70.213   8.4116 -60.20590 16.82324 
1 1 1    6   21   27 o  174.736   2.7696 -0.6093597 5.539281 
1 1 1    6   21   28 o   28.396   8.2208 -18.41843 16.44157 
1 1 1    6   21   29 o   29.012   8.7669 -0.2044659 17.53377 
1 1 1    6   21   30 o   32.939   9.2802 -5.084528 18.56046 
1 1 1    6   21   31 o   35.532   9.2138 -20.51163 18.42755 
1 1 1    6   21   32 o   27.098   8.4203 4.150259 16.84066 
1 1 1    6   21   33 o   24.332   8.2032 -7.813881 16.40644 
1 1 1    6   22    0 x  ?   ?       ?      ? 
1 1 1    6   22    1 o  414.160   2.9681 -0.2046509 5.936234 
1 1 1    6   22    2 o  193.129   2.3988 -2.472443 4.797569 
1 1 1    6   22    3 o  448.484   2.7343 -1.109894 5.468552 
1 1 1    6   22    4 o   18.704   6.3376 -4.031008 12.67521 
1 1 1    6   22    5 o   65.189   4.9423 18.56543 9.884659 
1 1 1    6   22    6 o  227.660   2.0000 0.5686646 3.999937 
1 1 1    6   22    7 o  198.306   2.3176 13.42155 4.635137 
1 1 1    6   22    8 x  ?   ?       ?      ? 
1 1 1    6   22    9 o  214.521   2.1253 7.232834 4.250640 
1 1 1    6   22   10 o  205.816   2.0525 -6.171494 4.104954 
1 1 1    6   22   11 o  232.059   1.9978 -2.794830 3.995554 
1 1 1    6   22   12 o  200.957   3.4385 8.308746 6.876915 
1 1 1    6   22   13 o  267.232   2.0826 -3.293793 4.165112 
1 1 1    6   22   14 o  101.722   4.2670 -1.600723 8.533947 
1 1 1    6   22   15 o  238.849   2.1169 8.798935 4.233772 
1 1 1    6   22   16 o  156.632   2.5113 5.769608 5.022637 
1 1 1    6   22   17 o   24.813   7.6489 -3.121475 15.29782 
1 1 1    6   22   18 f   50.686   7.7288 -14.49102 15.45763 
1 1 1    6   22   19 o  135.593   3.0712 -1.987823 6.142498 
1 1 1    6   22   20 o   70.019   5.3609 4.386963 10.72172 
1 1 1    6   22   21 f   20.182   6.6884 -10.61333 13.37673 
1 1 1    6   22   22 o  113.404   3.5317 -7.281227 7.063474 
1 1 1    6   22   23 o   52.980   7.5119 17.12614 15.02390 
1 1 1    6   22   24 f   85.437   4.6566 -9.172676 9.313102 
1 1 1    6   22   25 o   71.398   6.9343 -38.60028 13.86867 
1 1 1    6   22   26 o   75.181   5.5826 7.595665 11.16515 
1 1 1    6   22   27 o   29.869   8.3522 11.74011 16.70449 
1 1 1    6   22   28 f   30.379   8.8114 0.7507515E-01 17.62271 
1 1 1    6   22   29 o   25.249   8.0729 0.6835365E-01 16.14575 
1 1 1    6   22   30 o   22.690   7.5855 -9.436394 15.17095 
1 1 1    6   22   31 o   97.862   4.8951 -0.8901672 9.790119 
1 1 1    6   22   32 o   85.975   5.3520 -11.19821 10.70409 
1 1 1    6   23    0 o  265.392   4.7993 0.000000 0.000000 
1 1 1    6   23    1 o  198.664   2.6793 -5.645447 5.358691 
1 1 1    6   23    2 o  381.661   2.4925 2.790802 4.985046 
1 1 1    6   23    3 o  194.833   2.5601 22.29930 5.120199 
1 1 1    6   23    4 o  545.509   3.1947 -5.121704 6.389326 
1 1 1    6   23    5 o  367.436   2.8636 -2.905884 5.727131 
1 1 1    6   23    6 o  297.192   2.2219 9.479797 4.443852 
1 1 1    6   23    7 o  152.688   2.2853 6.493317 4.570681 
1 1 1    6   23    8 o   94.471   3.2919 -1.235748 6.583724 
1 1 1    6   23    9 o  314.171   2.1171 1.428833 4.234268 
1 1 1    6   23   10 f  208.483   3.3368      ?      ? 
1 1 1    6   23   11 o  245.717   2.2460 4.874390 4.491946 
1 1 1    6   23   12 o   98.700   3.3183 0.7166901 6.636537 
1 1 1    6   23   13 o  147.085   2.4724 -1.440964 4.944827 
1 1 1    6   23   14 o  128.191   2.8011 6.752159 5.602237 
1 1 1    6   23   15 o  336.311   2.2381 -0.3525085 4.476179 
1 1 1    6   23   16 o   74.671   4.6926 2.313141 9.385262 
1 1 1    6   23   17 o   95.911   3.9239 8.356674 7.847836 
1 1 1    6   23   18 o  179.148   2.4581 0.4981689 4.916166 
1 1 1    6   23   19 o  264.584   2.2425 3.356415 4.485062 
1 1 1    6   23   20 o   26.441   7.9175 -1.997011 15.83494 
1 1 1    6   23   21 o  161.837   2.5475 4.317337 5.095047 
1 1 1    6   23   22 o   85.087   4.3961 -15.97227 8.792136 
1 1 1    6   23   23 o   45.588   8.0674 -12.81515 16.13481 
1 1 1    6   23   24 f   62.905   6.4935 15.40303 12.98693 
1 1 1    6   23   25 o   74.680   5.3899 0.1977768 10.77988 
1 1 1    6   23   26 o   24.568   7.7886 -0.3799591 15.57728 
1 1 1    6   23   27 o   51.484   7.6919 33.21256 15.38390 
1 1 1    6   23   28 o   27.234   8.3053 -5.287792 16.61057 
1 1 1    6   23   29 o   99.570   4.4529 3.950333 8.905846 
1 1 1    6   23   30 o   50.085   8.9709 -7.641323 17.94181 
1 1 1    6   23   31 o   59.761   7.7178 -1.787888 15.43567 
1 1 1    6   24    0 o  204.109   3.4449 0.000000 0.000000 
1 1 1    6   24    1 o  288.896   2.1224 1.840637 4.244737 
1 1 1    6   24    2 o  153.183   2.7413 5.018631 5.482635 
1 1 1    6   24    3 o  243.341   2.6723 1.645950 5.344514 
1 1 1    6   24    4 f  332.260   2.2805 3.525330 4.560909 
1 1 1    6   24    5 o  304.054   2.1137 -6.568390 4.227340 
1 1 1    6   24    6 o  361.816   2.3525 5.818390 4.704913 
1 1 1    6   24    7 o  196.265   2.6383 -59.30453 5.276584 
1 1 1    6   24    8 o  151.628   2.3992 6.673904 4.798433 
1 1 1    6   24    9 o  172.820   2.1762 1.525742 4.352454 
1 1 1    6   24   10 o  258.231   2.0032 2.913727 4.006469 
1 1 1    6   24   11 o  272.580   2.0528 0.6495972 4.105695 
1 1 1    6   24   12 o   95.543   3.5591 6.146645 7.118247 
1 1 1    6   24   13 f  152.184   2.4467 -3.260437 4.893453 
1 1 1    6   24   14 f  170.063   2.2466 0.1193695 4.493165 
1 1 1    6   24   15 o  184.816   2.2039 -0.3705292 4.407870 
1 1 1    6   24   16 o  176.031   2.3127 4.284729 4.625471 
1 1 1    6   24   17 o  186.400   2.3475 -3.282730 4.695021 
1 1 1    6   24   18 o  338.238   2.3388 -0.3618164 4.677517 
1 1 1    6   24   19 o  115.119   3.2143 -3.560677 6.428519 
1 1 1    6   24   20 o   47.764   8.8438 11.38624 17.68761 
1 1 1    6   24   21 o   89.033   4.0767 0.5893478 8.153400 
1 1 1    6   24   22 o   18.628   6.3593 3.444418 12.71860 
1 1 1    6   24   23 f   56.722   7.7355 52.24754 15.47102 
1 1 1    6   24   24 o   50.571   7.7778 -17.83114 15.55556 
1 1 1    6   24   25 o   24.142   7.5308 -13.56438 15.06154 
1 1 1    6   24   26 o   34.038   9.5094 -5.822994 19.01877 
1 1 1    6   24   27 o   23.406   7.6242 1.604128 15.24841 
1 1 1    6   24   28 o   72.705   6.0800 6.169746 12.15995 
1 1 1    6   24   29 o   66.452   6.8301 5.291523 13.66011 
1 1 1    6   24   30 o   35.569   8.5258 17.52266 17.05165 
1 1 1    6   25    0 o  342.022   4.3970 0.000000 0.000000 
1 1 1    6   25    1 o  135.067   5.4542      ?      ? 
1 1 1    6   25    2 o  508.951   3.7278 3.626495 7.455609 
1 1 1    6   25    3 o  124.936   4.4279 44.10832 8.855804 
1 1 1    6   25    4 o  254.930   2.0717 -2.158264 4.143485 
1 1 1    6   25    5 o  319.119   2.1462 2.220154 4.292440 
1 1 1    6   25    6 o   86.808   4.7728 16.88071 9.545566 
1 1 1    6   25    7 o  122.024   2.8396 -6.247292 5.679267 
1 1 1    6   25    8 o  114.317   2.9143 2.874359 5.828581 
1 1 1    6   25    9 o   37.882   9.1496 7.569580 18.29915 
1 1 1    6   25   10 o  177.899   2.1351 2.385422 4.270225 
1 1 1    6   25   11 o  127.827   2.6552 0.1826019 5.310322 
1 1 1    6   25   12 o  113.337   2.9377 -9.242668 5.875443 
1 1 1    6   25   13 o  101.638   3.2316 -2.511375 6.463239 
1 1 1    6   25   14 o   71.456   4.5083 -3.199593 9.016619 
1 1 1    6   25   15 o  164.988   2.3087 -4.806091 4.617342 
1 1 1    6   25   16 o  162.917   2.3335 -4.860916 4.666963 
1 1 1    6   25   17 o   81.352   4.1401 4.212952 8.280124 
1 1 1    6   25   18 f  128.603   2.8444 -5.391739 5.688750 
1 1 1    6   25   19 o   68.032   4.9630 -3.871895 9.925952 
1 1 1    6   25   20 o  222.104   2.1475 4.555222 4.295038 
1 1 1    6   25   21 o  121.153   3.1065 -1.599785 6.212920 
1 1 1    6   25   22 o   79.133   4.8845 -20.44665 9.768974 
1 1 1    6   25   23 f  125.658   3.1631 -7.112602 6.326136 
1 1 1    6   25   24 o   35.031   8.3962 12.97490 16.79233 
1 1 1    6   25   25 o   76.545   6.0308 8.258591 12.06157 
1 1 1    6   25   26 o   86.797   4.5617 4.068192 9.123384 
1 1 1    6   25   27 o  154.117   3.8370 5.175949 7.674050 
1 1 1    6   25   28 o   25.525   8.0822 -3.730961 16.16438 
1 1 1    6   25   29 o   57.381   8.0502 7.245567 16.10048 
1 1 1    6   25   30 o   17.520   6.2177 -0.1620903 12.43531 
1 1 1    6   26    0 o  314.033   3.4596 0.000000 0.000000 
1 1 1    6   26    1 o  239.533   2.2033 3.853165 4.406620 
1 1 1    6   26    2 o  105.479   3.9933 7.994331 7.986643 
1 1 1    6   26    3 o   78.385   5.6717 -12.83012 11.34335 
1 1 1    6   26    4 o  127.056   2.9529 3.385056 5.905872 
1 1 1    6   26    5 o  120.845   3.0289 1.358788 6.057719 
1 1 1    6   26    6 o   42.021   7.1598 -25.87179 14.31965 
1 1 1    6   26    7 o   41.224   7.9354 -1.714397 15.87088 
1 1 1    6   26    8 o   34.447   7.4559 -19.09924 14.91182 
1 1 1    6   26    9 o  165.286   2.2367 -4.693680 4.473468 
1 1 1    6   26   10 o  168.406   2.1817 -7.801773 4.363382 
1 1 1    6   26   11 o  141.506   2.4332 -10.09529 4.866387 
1 1 1    6   26   12 o   86.176   3.7253 7.773079 7.450566 
1 1 1    6   26   13 o  130.954   2.5507 -1.369492 5.101308 
1 1 1    6   26   14 o  163.286   2.2336 8.253036 4.467242 
1 1 1    6   26   15 o   76.352   4.0443 6.498329 8.088685 
1 1 1    6   26   16 o  154.995   2.2569 -12.99519 4.513799 
1 1 1    6   26   17 o   19.011   6.3008 6.565015 12.60168 
1 1 1    6   26   18 o   76.829   4.1626 4.112526 8.325111 
1 1 1    6   26   19 f  122.010   3.0410 -6.381470 6.082083 
1 1 1    6   26   20 o  126.717   2.8201 7.918724 5.640236 
1 1 1    6   26   21 o   32.173   7.6789 -20.43284 15.35773 
1 1 1    6   26   22 o  141.943   2.8230 -3.119675 5.646028 
1 1 1    6   26   23 o   27.727   8.0744 -1.947456 16.14873 
1 1 1    6   26   24 o   84.543   4.6171 8.170494 9.234206 
1 1 1    6   26   25 f   53.575   7.8967 -7.640823 15.79334 
1 1 1    6   26   26 o   62.193   6.7786 18.41803 13.55726 
1 1 1    6   26   27 o   44.729   10.356 0.8655434 20.71262 
1 1 1    6   26   28 o   29.004   8.6463 4.492441 17.29260 
1 1 1    6   26   29 o   22.051   7.5121 -14.04282 15.02411 
1 1 1    6   27    0 o  209.472   3.5049 0.000000 0.000000 
1 1 1    6   27    1 o   29.460   8.4574 -7.207228 16.91483 
1 1 1    6   27    2 o   39.726   9.3923 -5.806126 18.78453 
1 1 1    6   27    3 o  222.509   2.2270 0.2948608 4.453981 
1 1 1    6   27    4 o  151.418   2.7897 -2.711136 5.579447 
1 1 1    6   27    5 o  127.957   2.8756 5.630051 5.751163 
1 1 1    6   27    6 o  157.281   2.4208 2.331299 4.841535 
1 1 1    6   27    7 o  117.275   2.9843 7.413277 5.968622 
1 1 1    6   27    8 o  168.082   2.2530 -5.649185 4.505974 
1 1 1    6   27    9 o  101.251   3.2660 -7.534218 6.532042 
1 1 1    6   27   10 o  107.353   3.0470 -12.02031 6.093920 
1 1 1    6   27   11 o   20.543   6.5266 10.66555 13.05325 
1 1 1    6   27   12 o  182.627   2.0648 4.620407 4.129632 
1 1 1    6   27   13 o  110.975   2.8358 9.348854 5.671614 
1 1 1    6   27   14 o  132.614   2.4261 -9.562302 4.852157 
1 1 1    6   27   15 o   47.498   6.3706 -11.47124 12.74114 
1 1 1    6   27   16 o   64.013   4.5401 1.960426 9.080099 
1 1 1    6   27   17 o   85.703   3.6283 -7.693764 7.256522 
1 1 1    6   27   18 o   41.704   7.4047 -10.79708 14.80948 
1 1 1    6   27   19 o   60.854   5.5709 -6.750118 11.14189 
1 1 1    6   27   20 o   83.817   4.1154 4.565437 8.230775 
1 1 1    6   27   21 o   27.002   7.3102 18.78819 14.62039 
1 1 1    6   27   22 o  101.337   3.6525 9.630928 7.305081 
1 1 1    6   27   23 o   36.866   12.241      ?      ? 
1 1 1    6   27   24 f   37.223   8.5473 11.06284 17.09461 
1 1 1    6   27   25 o   62.833   6.9903 -4.501663 13.98069 
1 1 1    6   27   26 o   81.439   5.1905 9.234818 10.38100 
1 1 1    6   27   27 o   69.925   6.2705 -25.79663 12.54107 
1 1 1    6   27   28 o   27.478   8.5228 -5.847046 17.04567 
1 1 1    6   28    0 o   17.157   8.6903 0.000000 0.000000 
1 1 1    6   28    1 o  164.982   2.6535 1.434555 5.307076 
1 1 1    6   28    2 o  193.555   2.3957 0.8970184 4.791436 
1 1 1    6   28    3 o   20.546   6.9391 -3.613291 13.87822 
1 1 1    6   28    4 o   87.405   4.1491 0.3941040 8.298223 
1 1 1    6   28    5 o   92.798   3.8585 -7.394791 7.716937 
1 1 1    6   28    6 o   52.006   6.9023 26.48799 13.80456 
1 1 1    6   28    7 o   51.004   6.8170 16.49855 13.63404 
1 1 1    6   28    8 o  116.205   2.9736 -17.60012 5.947118 
1 1 1    6   28    9 o  168.264   2.1587 -2.828735 4.317460 
1 1 1    6   28   10 o  158.452   2.2083 -6.778305 4.416677 
1 1 1    6   28   11 o   45.184   6.5307 15.79626 13.06132 
1 1 1    6   28   12 o   53.506   5.4860 6.194695 10.97209 
1 1 1    6   28   13 o   76.746   3.8429 17.79317 7.685724 
1 1 1    6   28   14 o  104.173   2.8925 3.563789 5.785006 
1 1 1    6   28   15 o   41.497   6.6478 -21.37555 13.29562 
1 1 1    6   28   16 o   60.477   4.9364 -2.279354 9.872837 
1 1 1    6   28   17 o  126.833   2.8829 -1.039116 5.765883 
1 1 1    6   28   18 o   70.566   4.6270 3.991341 9.253970 
1 1 1    6   28   19 o   31.159   8.0015 -2.775023 16.00302 
1 1 1    6   28   20 o   79.715   4.3752 -6.040810 8.750443 
1 1 1    6   28   21 o  128.728   2.9470 -2.458740 5.894039 
1 1 1    6   28   22 o   36.042   8.3944 -1.643772 16.78875 
1 1 1    6   28   23 o   81.860   4.6355 3.929436 9.270959 
1 1 1    6   28   24 o  100.585   3.9718 -11.46200 7.943558 
1 1 1    6   28   25 o   92.904   4.4484 -8.403900 8.896821 
1 1 1    6   28   26 o   55.578   8.1822 20.18339 16.36440 
1 1 1    6   28   27 o   18.359   6.4600 -3.066628 12.92007 
1 1 1    6   29    0 o  202.477   3.4961 0.000000 0.000000 
1 1 1    6   29    1 o  266.173   2.1688 -2.838898 4.337576 
1 1 1    6   29    2 o   72.362   5.4684 12.99066 10.93688 
1 1 1    6   29    3 o   73.683   5.2798 -12.01713 10.55961 
1 1 1    6   29    4 o  100.335   3.5448 6.665298 7.089503 
1 1 1    6   29    5 o   85.628   4.0742 11.57431 8.148371 
1 1 1    6   29    6 o   33.499   8.0055 10.56005 16.01109 
1 1 1    6   29    7 o   38.327   7.7841 -8.809628 15.56823 
1 1 1    6   29    8 o  113.937   2.8384 2.234535 5.676847 
1 1 1    6   29    9 o   19.935   6.5061 8.696652 13.01213 
1 1 1    6   29   10 o  140.370   2.3098 -1.279465 4.619576 
1 1 1    6   29   11 o   28.427   7.4287 -5.646666 14.85744 
1 1 1    6   29   12 o  107.723   2.7973 -6.484467 5.594542 
1 1 1    6   29   13 o  126.158   2.4972 -13.70173 4.994467 
1 1 1    6   29   14 o   87.613   3.4336 6.819771 6.867216 
1 1 1    6   29   15 o   34.671   7.7152 7.952976 15.43046 
1 1 1    6   29   16 o   76.546   4.2778 15.06384 8.555529 
1 1 1    6   29   17 o   59.065   5.3228 -5.144119 10.64564 
1 1 1    6   29   18 o   41.029   7.5216 14.31916 15.04315 
1 1 1    6   29   19 o   84.195   4.0526 -3.724403 8.105160 
1 1 1    6   29   20 o   84.089   4.4167 5.675316 8.833365 
1 1 1    6   29   21 o   66.757   5.3007 -5.889946 10.60143 
1 1 1    6   29   22 o  100.512   3.6729 -9.896660 7.345743 
1 1 1    6   29   23 o   98.738   3.8472 1.742004 7.694303 
1 1 1    6   29   24 o   54.699   7.5051 -18.38279 15.01020 
1 1 1    6   29   25 o   26.599   8.4002 -9.494143 16.80041 
1 1 1    6   29   26 x  ?   ?       ?      ? 
1 1 1    6   30    0 o  181.591   3.6555 0.000000 0.000000 
1 1 1    6   30    1 o  107.677   3.5944 24.16687 7.188817 
1 1 1    6   30    2 o   52.738   6.9724 -11.65000 13.94487 
1 1 1    6   30    3 o   91.035   4.0240 8.511703 8.048022 
1 1 1    6   30    4 o   80.009   4.1611 -10.45320 8.322169 
1 1 1    6   30    5 o   48.674   6.8882 -7.954384 13.77632 
1 1 1    6   30    6 f   40.335   7.4515 17.13222 14.90309 
1 1 1    6   30    7 o  120.410   2.7615 -6.181465 5.522908 
1 1 1    6   30    8 o   81.759   3.6202 -6.932961 7.240307 
1 1 1    6   30    9 o  127.661   2.5170 10.21650 5.034053 
1 1 1    6   30   10 o   16.668   5.6539 -5.888460 11.30790 
1 1 1    6   30   11 o   54.491   5.8756 -8.767487 11.75121 
1 1 1    6   30   12 o  151.603   2.2276 5.412201 4.455185 
1 1 1    6   30   13 o   49.861   6.7735 -31.18087 13.54691 
1 1 1    6   30   14 o   89.906   3.6166 3.010490 7.233287 
1 1 1    6   30   15 o   22.500   6.9552 -1.469692 13.91043 
1 1 1    6   30   16 o   65.947   4.5862 2.046165 9.172381 
1 1 1    6   30   17 o   26.407   7.5274 -3.120018 15.05486 
1 1 1    6   30   18 o   87.216   3.7524 -3.146194 7.504727 
1 1 1    6   30   19 o   38.582   7.8394 12.61266 15.67870 
1 1 1    6   30   20 o   57.978   5.8512 -1.801434 11.70240 
1 1 1    6   30   21 o   83.524   4.2183 0.4335022E-01 8.436592 
1 1 1    6   30   22 o   70.167   5.1006 9.411797 10.20116 
1 1 1    6   30   23 f   27.020   8.0294 -1.401705 16.05888 
1 1 1    6   30   24 o   44.005   8.3330 -19.29089 16.66601 
1 1 1    6   31    0 o  130.695   4.3677 0.000000 0.000000 
1 1 1    6   31    1 o  125.970   2.9621 -0.5753784 5.924125 
1 1 1    6   31    2 o   46.181   7.7399 -2.512295 15.47990 
1 1 1    6   31    3 o   36.051   8.4120 2.117092 16.82399 
1 1 1    6   31    4 o   47.511   6.9056 3.933918 13.81113 
1 1 1    6   31    5 o   63.191   5.5727 3.455627 11.14534 
1 1 1    6   31    6 o   19.518   6.4368 2.339703 12.87363 
1 1 1    6   31    7 o   34.875   6.7303 28.74170 13.46057 
1 1 1    6   31    8 o   35.578   7.6691 -6.503696 15.33816 
1 1 1    6   31    9 o   85.884   3.5738 6.763466 7.147551 
1 1 1    6   31   10 o  172.471   2.2421 -1.280899 4.484290 
1 1 1    6   31   11 o  106.309   3.0168 -0.6890411 6.033617 
1 1 1    6   31   12 o  130.086   2.5056 0.8656158 5.011275 
1 1 1    6   31   13 o   23.142   7.0685 -3.354151 14.13700 
1 1 1    6   31   14 o   78.974   3.9844 4.460518 7.968767 
1 1 1    6   31   15 o   47.122   7.7795 4.220009 15.55897 
1 1 1    6   31   16 o   31.690   7.4548 -25.70269 14.90961 
1 1 1    6   31   17 o   40.196   7.7807 0.5808792 15.56144 
1 1 1    6   31   18 o   70.680   4.7321 -9.421135 9.464107 
1 1 1    6   31   19 f   23.717   7.3445 2.655689 14.68908 
1 1 1    6   31   20 o   41.375   7.9097 -1.633213 15.81948 
1 1 1    6   31   21 o   86.740   3.9983 6.677490 7.996651 
1 1 1    6   31   22 o   20.842   6.8647 1.380674 13.72943 
1 1 1    6   31   23 o   87.909   4.4111 -5.554260 8.822187 
1 1 1    6   32    0 f   15.363   7.7289 0.000000 0.000000 
1 1 1    6   32    1 o   59.910   5.7074 -2.010868 11.41482 
1 1 1    6   32    2 o  135.382   2.7429 3.950317 5.485720 
1 1 1    6   32    3 o   24.470   7.5043 -5.656233 15.00867 
1 1 1    6   32    4 o   57.070   5.8073 15.42643 11.61469 
1 1 1    6   32    5 o   97.995   4.4796 -9.921509 8.959166 
1 1 1    6   32    6 o  108.525   3.1252 -5.262032 6.250455 
1 1 1    6   32    7 o  147.558   2.9434 -31.52550 5.886724 
1 1 1    6   32    8 o   66.715   4.8454 -14.27214 9.690756 
1 1 1    6   32    9 o   73.970   4.2333 6.966644 8.466532 
1 1 1    6   32   10 o   62.260   5.1563 15.02082 10.31259 
1 1 1    6   32   11 o   68.844   4.5026 2.677597 9.005196 
1 1 1    6   32   12 o   81.412   3.8090 5.234047 7.617923 
1 1 1    6   32   13 o   36.725   7.7088 -2.179459 15.41766 
1 1 1    6   32   14 o   32.740   7.8830 3.985804 15.76607 
1 1 1    6   32   15 o   77.153   5.3907 7.664291 10.78144 
1 1 1    6   32   16 o   67.102   5.0185 7.714760 10.03704 
1 1 1    6   32   17 o   48.892   6.9172 13.41358 13.83436 
1 1 1    6   32   18 o   45.582   7.4167 6.119148 14.83348 
1 1 1    6   32   19 o   27.582   7.8705 1.350351 15.74103 
1 1 1    6   32   20 o   26.887   7.8287 1.260242 15.65731 
1 1 1    6   32   21 o   27.163   7.7116 9.960560 15.42310 
1 1 1    6   32   22 x  ?   ?       ?      ? 
1 1 1    6   33    0 o   16.325   8.1283 0.000000 0.000000 
1 1 1    6   33    1 o   93.182   3.8300 1.036537 7.659955 
1 1 1    6   33    2 x  ?   ?       ?      ? 
1 1 1    6   33    3 o   25.485   7.7904 -6.421309 15.58087 
1 1 1    6   33    4 o   62.083   5.2589 -5.699429 10.51785 
1 1 1    6   33    5 o   24.274   7.3370 -5.249182 14.67400 
1 1 1    6   33    6 o  151.948   2.3963 -6.184570 4.792592 
1 1 1    6   33    7 o   82.785   3.8962 -0.5286484 7.792306 
1 1 1    6   33    8 o   22.110   6.8885 -5.641890 13.77701 
1 1 1    6   33    9 o   22.603   7.0293 -0.2190113 14.05852 
1 1 1    6   33   10 o   68.140   4.7716 -0.6774292 9.543155 
1 1 1    6   33   11 o   17.916   6.0204 -8.217301 12.04085 
1 1 1    6   33   12 o   37.293   7.6593 -11.60504 15.31857 
1 1 1    6   33   13 o   60.032   5.3285 -4.885483 10.65706 
1 1 1    6   33   14 o   74.399   4.2365 -6.944351 8.472973 
1 1 1    6   33   15 o   40.790   7.5583 -7.078957 15.11662 
1 1 1    6   33   16 o   78.501   4.1514 -3.333961 8.302882 
1 1 1    6   33   17 o   24.635   7.4138 -4.773350 14.82760 
1 1 1    6   33   18 o   32.692   8.1808 5.853491 16.36157 
1 1 1    6   33   19 o   79.919   4.8584 9.001366 9.716816 
1 1 1    6   33   20 o   34.575   8.1221 5.447710 16.24425 
1 1 1    6   34    0 o   19.904   9.6691 0.000000 0.000000 
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1 1 1    7    5    5 o  337.485   1.8096 3.410706 3.619194 
1 1 1    7    5    6 o  583.059   3.0635 -3.575745 6.127011 
1 1 1    7    5    7 o  383.823   2.0511 -0.6331787 4.102131 
1 1 1    7    5    8 o  147.985   1.2789 7.125275 2.557790 
1 1 1    7    5    9 o  337.328   1.9094 -0.4798584 3.818798 
1 1 1    7    5   10 o  171.174   1.3592 -2.447205 2.718448 
1 1 1    7    5   11 o  319.447   1.8443 1.991394 3.688524 
1 1 1    7    5   12 o  161.574   1.4509 2.211411 2.901703 
1 1 1    7    5   13 o  175.934   1.7227 -18.01675 3.445450 
1 1 1    7    5   14 o  109.852   2.1324 -0.9783173 4.264785 
1 1 1    7    5   15 o  262.374   1.9723 -4.397400 3.944674 
1 1 1    7    5   16 o  204.947   1.8764 2.607880 3.752850 
1 1 1    7    5   17 o  282.031   2.1859 -0.8013000 4.371709 
1 1 1    7    5   18 o  204.444   2.0330 -6.396774 4.065956 
1 1 1    7    5   19 o  379.540   2.3244 -5.593475 4.648775 
1 1 1    7    5   20 o   44.924   7.7970 19.80658 15.59400 
1 1 1    7    5   21 o   28.490   8.5175 -17.27918 17.03506 
1 1 1    7    5   22 o   29.079   8.5918 -18.78214 17.18368 
1 1 1    7    5   23 o  456.902   2.9309 13.65924 5.861730 
1 1 1    7    5   24 o  259.372   2.6975 1.204346 5.394978 
1 1 1    7    5   25 o  205.367   3.8585 17.57104 7.716913 
1 1 1    7    5   26 o  313.059   2.5732 -4.129639 5.146331 
1 1 1    7    5   27 o  207.446   3.2229 -2.782425 6.445850 
1 1 1    7    5   28 o   86.454   6.9370 0.9087982 13.87405 
1 1 1    7    5   29 o  273.345   2.7275 2.273651 5.455087 
1 1 1    7    5   30 o  110.707   5.1731 -1.064285 10.34612 
1 1 1    7    5   31 o  119.748   4.8134 -7.476929 9.626758 
1 1 1    7    5   32 o  150.370   3.7483 1.460114 7.496537 
1 1 1    7    5   33 o  121.447   4.5921 2.526344 9.184213 
1 1 1    7    5   34 o   27.671   8.8557 0.7328491 17.71143 
1 1 1    7    5   35 o   71.741   7.4028 -6.249886 14.80565 
1 1 1    7    5   36 f   57.841   10.253 -30.53405 20.50613 
1 1 1    7    5   37 f   38.484   9.8056 21.48829 19.61129 
1 1 1    7    5   38 o   42.837   9.9775 11.42457 19.95492 
1 1 1    7    5   39 x  ?   ?       ?      ? 
1 1 1    7    6    0 o  1061.36   7.8570 0.000000 0.000000 
1 1 1    7    6    1 o  156.178   1.0018 -2.934189 2.003640 
1 1 1    7    6    2 o  419.969   2.2158 1.188629 4.431684 
1 1 1    7    6    3 o  749.559   3.9269 -0.8015747 7.853801 
1 1 1    7    6    4 o  338.740   1.8135 4.950562 3.626921 
1 1 1    7    6    5 o  113.984   1.0693 1.805870 2.138697 
1 1 1    7    6    6 o  433.479   2.2976 -5.011444 4.595297 
1 1 1    7    6    7 o   47.139   2.4407 0.4475021E-01 4.881335 
1 1 1    7    6    8 o  316.406   1.7963 -0.2039795 3.592643 
1 1 1    7    6    9 o   82.394   1.8895 -2.946716 3.778908 
1 1 1    7    6   10 o  345.101   2.0445 -7.176727 4.089036 
1 1 1    7    6   11 f   22.107   5.6260 2.251186 11.25198 
1 1 1    7    6   12 o  365.153   2.5353      ?      ? 
1 1 1    7    6   13 o  257.452   1.6104 -0.8264160E-01 3.220774 
1 1 1    7    6   14 o  212.191   1.9915 4.658981 3.982992 
1 1 1    7    6   15 o  160.934   1.9870 -1.131805 3.973940 
1 1 1    7    6   16 o   60.949   4.3589 1.764271 8.717838 
1 1 1    7    6   17 o  333.819   2.0805 4.014343 4.161038 
1 1 1    7    6   18 o  167.637   2.1967 2.135345 4.393472 
1 1 1    7    6   19 o  508.788   2.8805 -0.6873779 5.760923 
1 1 1    7    6   20 o  113.132   3.5941 -5.427864 7.188272 
1 1 1    7    6   21 o  200.152   3.2147 17.24242 6.429459 
1 1 1    7    6   22 o  260.987   2.4030 -6.111359 4.805942 
1 1 1    7    6   23 o   95.001   6.8052 -5.047012 13.61047 
1 1 1    7    6   24 o  110.107   4.9353 3.456474 9.870533 
1 1 1    7    6   25 o   29.276   9.6225 0.6987953E-01 19.24491 
1 1 1    7    6   26 o   36.148   10.315 -8.413021 20.62938 
1 1 1    7    6   27 o  230.179   2.9454 -1.238098 5.890808 
1 1 1    7    6   28 o  161.630   3.7900 -6.677856 7.579991 
1 1 1    7    6   29 o  143.310   4.1761 -4.273361 8.352283 
1 1 1    7    6   30 o  233.505   2.7956 4.707977 5.591199 
1 1 1    7    6   31 o   27.522   8.8014 -5.473953 17.60271 
1 1 1    7    6   32 o   25.578   8.4354 0.5916328 16.87090 
1 1 1    7    6   33 o  107.756   5.2303 -13.69385 10.46055 
1 1 1    7    6   34 o   47.779   10.292 3.565014 20.58401 
1 1 1    7    6   35 o   85.678   6.8690 -26.81567 13.73799 
1 1 1    7    6   36 o   34.500   9.8376 -3.119282 19.67529 
1 1 1    7    6   37 o   60.324   9.3439 3.966690 18.68772 
1 1 1    7    6   38 o   28.321   8.7551 -7.113583 17.51021 
1 1 1    7    7    0 o   63.290   2.4056 0.000000 0.000000 
1 1 1    7    7    1 o  307.904   1.6520 -2.228699 3.303951 
1 1 1    7    7    2 o  479.893   2.5268 1.728119 5.053506 
1 1 1    7    7    3 o  423.830   2.2430 0.8001709 4.486089 
1 1 1    7    7    4 o   81.409   1.1283 -2.916245 2.256698 
1 1 1    7    7    5 f  244.493   1.3842 -3.127151 2.768363 
1 1 1    7    7    6 o  138.253   1.3083 5.454163 2.616562 
1 1 1    7    7    7 o  158.051   1.4552 2.770432 2.910310 
1 1 1    7    7    8 o  247.274   1.5024 1.374573 3.004856 
1 1 1    7    7    9 o  301.978   1.8303 -2.411621 3.660602 
1 1 1    7    7   10 o  223.870   1.4664 -1.597900 2.932802 
1 1 1    7    7   11 o  265.139   1.8598 -2.667816 3.719554 
1 1 1    7    7   12 o  316.687   1.9464 5.612030 3.892726 
1 1 1    7    7   13 o  278.679   1.6836 2.450592 3.367124 
1 1 1    7    7   14 o  380.939   2.4407 7.960114 4.881469 
1 1 1    7    7   15 o  389.877   2.5508 2.744781 5.101640 
1 1 1    7    7   16 o  245.214   1.8267 -2.614426 3.653333 
1 1 1    7    7   17 o  410.610   2.4029 -0.6030579 4.805760 
1 1 1    7    7   18 o  295.159   2.1423 -0.6637268 4.284581 
1 1 1    7    7   19 o  212.172   2.1204 -3.505539 4.240798 
1 1 1    7    7   20 o  322.670   2.3607 6.512848 4.721381 
1 1 1    7    7   21 o  229.702   4.3649      ?      ? 
1 1 1    7    7   22 o  166.278   3.2957 -4.710342 6.591410 
1 1 1    7    7   23 o  265.610   2.5132 1.452057 5.026472 
1 1 1    7    7   24 o   20.725   7.2916 -6.765423 14.58325 
1 1 1    7    7   25 o  141.851   4.0846 -8.109329 8.169199 
1 1 1    7    7   26 o   63.844   9.1394 -10.46861 18.27888 
1 1 1    7    7   27 o  244.132   2.9091 -0.1393280 5.818144 
1 1 1    7    7   28 o   59.788   10.123 18.57510 20.24606 
1 1 1    7    7   29 o  156.883   3.7078 -7.270599 7.415681 
1 1 1    7    7   30 o   62.530   9.0940 2.836559 18.18805 
1 1 1    7    7   31 o  116.711   4.6723 -8.871094 9.344685 
1 1 1    7    7   32 o   33.390   9.6584 3.868217 19.31675 
1 1 1    7    7   33 o   92.113   6.0370 -9.821556 12.07408 
1 1 1    7    7   34 o  116.801   4.7695 6.292725 9.538944 
1 1 1    7    7   35 o   32.284   9.6996 5.346210 19.39927 
1 1 1    7    7   36 o  104.065   5.2688 -9.194023 10.53769 
1 1 1    7    7   37 o   69.847   7.9494 -12.83634 15.89878 
1 1 1    7    7   38 o   22.980   7.6502 4.537348 15.30031 
1 1 1    7    8    0 o   27.411   5.1183 0.000000 0.000000 
1 1 1    7    8    1 o  255.364   1.4106 3.115036 2.821213 
1 1 1    7    8    2 o  372.003   1.9812 2.314697 3.962329 
1 1 1    7    8    3 o  498.339   2.6314 -2.715027 5.262896 
1 1 1    7    8    4 o  459.733   2.4390 -3.160187 4.878000 
1 1 1    7    8    5 o  425.469   2.2694 4.060150 4.538742 
1 1 1    7    8    6 o  177.342   1.3277 -5.263992 2.655399 
1 1 1    7    8    7 o  159.671   1.2712 3.481979 2.542305 
1 1 1    7    8    8 o  599.965   3.2673 0.4855347 6.534693 
1 1 1    7    8    9 o  495.038   2.7122 -1.282440 5.424322 
1 1 1    7    8   10 o  127.678   1.7296 -2.830696 3.459140 
1 1 1    7    8   11 o  407.248   2.3831 -1.074799 4.766204 
1 1 1    7    8   12 o  480.457   2.5749 -10.71158 5.149760 
1 1 1    7    8   13 o  446.084   2.4119 -0.6111450 4.823773 
1 1 1    7    8   14 o  168.224   2.2567 10.13628 4.513314 
1 1 1    7    8   15 o  779.294   4.4418 -7.373352 8.883615 
1 1 1    7    8   16 o  435.177   2.4906 1.431152 4.981175 
1 1 1    7    8   17 o   97.697   3.2240 -5.041992 6.447957 
1 1 1    7    8   18 o  365.720   2.2456 -0.1945496 4.491168 
1 1 1    7    8   19 o   42.531   7.6719 -25.39034 15.34389 
1 1 1    7    8   20 o  273.070   2.5854 -27.83426 5.170744 
1 1 1    7    8   21 o  187.875   2.7419 -2.018051 5.483715 
1 1 1    7    8   22 f  250.930   2.5828 0.3002472 5.165582 
1 1 1    7    8   23 o   83.051   6.1488 0.2306824 12.29758 
1 1 1    7    8   24 o  363.729   3.1433 4.901184 6.286584 
1 1 1    7    8   25 f  165.965   3.5819 0.7081451 7.163749 
1 1 1    7    8   26 o  215.408   2.9580 -0.6690979E-01 5.916054 
1 1 1    7    8   27 o   49.091   10.428 1.594967 20.85557 
1 1 1    7    8   28 o  113.230   4.9217 -6.487671 9.843324 
1 1 1    7    8   29 o   39.511   10.277 -16.76326 20.55302 
1 1 1    7    8   30 o   95.591   5.8973 17.43585 11.79467 
1 1 1    7    8   31 o   60.064   9.2578 0.6718102 18.51570 
1 1 1    7    8   32 o   29.532   9.3193 0.2599030 18.63850 
1 1 1    7    8   33 o   55.954   9.4243 4.447601 18.84858 
1 1 1    7    8   34 o   28.960   9.0811 5.998053 18.16214 
1 1 1    7    8   35 f   56.651   9.4577 -25.38328 18.91549 
1 1 1    7    8   36 o   49.223   10.679 15.09270 21.35834 
1 1 1    7    8   37 o   58.611   9.1722 5.978794 18.34432 
1 1 1    7    8   38 o   31.491   9.0070 -5.969748 18.01392 
1 1 1    7    9    0 o   18.177   6.3312 0.000000 0.000000 
1 1 1    7    9    1 o  730.592   3.8329 -5.692749 7.665826 
1 1 1    7    9    2 o  285.143   1.5618 -0.1636658 3.123527 
1 1 1    7    9    3 o  669.851   3.5296 -1.004272 7.059139 
1 1 1    7    9    4 o  141.059   1.4153 -0.2983246 2.830631 
1 1 1    7    9    5 o  362.570   2.2629 -0.4608765 4.525777 
1 1 1    7    9    6 o  252.351   1.7063 0.9062195 3.412685 
1 1 1    7    9    7 o  335.618   1.9009 0.8803406 3.801833 
1 1 1    7    9    8 o  306.416   1.7682 1.859131 3.536317 
1 1 1    7    9    9 o  384.855   2.5577 2.744904 5.115328 
1 1 1    7    9   10 o  305.017   1.7831 -1.794159 3.566107 
1 1 1    7    9   11 o  241.294   1.5143 -0.3609924 3.028533 
1 1 1    7    9   12 o  211.186   2.1688 -8.672119 4.337645 
1 1 1    7    9   13 o  113.955   1.9575 -5.187164 3.915043 
1 1 1    7    9   14 o  229.400   1.7211 -5.650421 3.442104 
1 1 1    7    9   15 o  357.201   2.2168 3.595062 4.433623 
1 1 1    7    9   16 o  569.888   3.3090 -2.452332 6.617989 
1 1 1    7    9   17 o   24.267   7.3577 -2.379131 14.71545 
1 1 1    7    9   18 o  384.201   2.3257 -1.479645 4.651361 
1 1 1    7    9   19 o  225.664   2.1249 2.297440 4.249820 
1 1 1    7    9   20 o  329.482   2.8676 52.54459 5.735229 
1 1 1    7    9   21 o  149.735   3.2274 -7.674332 6.454746 
1 1 1    7    9   22 o  206.512   2.7772 -6.119202 5.554390 
1 1 1    7    9   23 o  245.051   2.6091 -7.554871 5.218134 
1 1 1    7    9   24 o  238.885   2.7503 1.627197 5.500647 
1 1 1    7    9   25 o  321.269   2.5675 -2.030853 5.134935 
1 1 1    7    9   26 o   92.269   6.2900 9.934120 12.57994 
1 1 1    7    9   27 o   84.778   6.5134 -10.43531 13.02676 
1 1 1    7    9   28 o   34.752   9.9468 4.683670 19.89367 
1 1 1    7    9   29 o  183.013   3.0770 3.442474 6.154051 
1 1 1    7    9   30 o  141.656   3.7650 -2.879074 7.530049 
1 1 1    7    9   31 o  151.680   3.4328 -0.5466919 6.865581 
1 1 1    7    9   32 o  127.968   4.5080 2.846085 9.016093 
1 1 1    7    9   33 o   91.647   6.0047 -7.781982 12.00937 
1 1 1    7    9   34 o   28.066   8.8517 -9.802946 17.70338 
1 1 1    7    9   35 o   37.694   9.9263 12.42590 19.85253 
1 1 1    7    9   36 o   38.601   10.076 14.45150 20.15252 
1 1 1    7    9   37 o   71.781   7.9223 13.75457 15.84465 
1 1 1    7    9   38 o   48.168   9.4084 -11.31336 18.81683 
1 1 1    7   10    0 o  337.742   2.5699 0.000000 0.000000 
1 1 1    7   10    1 o  290.881   1.5934 -1.573029 3.186780 
1 1 1    7   10    2 f  420.793   2.2369 -5.662781 4.473787 
1 1 1    7   10    3 o  130.460   1.1076 -2.580902 2.215260 
1 1 1    7   10    4 o  381.712   2.3684 -5.166260 4.736767 
1 1 1    7   10    5 o  381.027   2.3693 -1.147614 4.738668 
1 1 1    7   10    6 o  101.959   1.7628 -7.944023 3.525557 
1 1 1    7   10    7 o  387.098   2.4158 1.404297 4.831639 
1 1 1    7   10    8 o  133.268   1.5312 6.803909 3.062399 
1 1 1    7   10    9 o  484.974   2.6680 -4.058899 5.335963 
1 1 1    7   10   10 o  355.530   2.1168 9.398651 4.233674 
1 1 1    7   10   11 o  453.532   2.8039 6.633728 5.607807 
1 1 1    7   10   12 o  236.768   1.5534 3.896484 3.106735 
1 1 1    7   10   13 o  356.503   2.4391 16.55673 4.878202 
1 1 1    7   10   14 o  192.842   1.7878 2.006592 3.575681 
1 1 1    7   10   15 o  592.220   3.1557 0.1074829 6.311416 
1 1 1    7   10   16 o  280.390   2.0596 -6.964325 4.119196 
1 1 1    7   10   17 o  247.880   1.9565 7.591949 3.913003 
1 1 1    7   10   18 o  400.578   2.3996 -0.9790039E-01 4.799149 
1 1 1    7   10   19 o  359.309   2.3194 -3.377899 4.638858 
1 1 1    7   10   20 o  131.372   3.7544 2.367371 7.508885 
1 1 1    7   10   21 o  362.950   2.4841 -12.73022 4.968137 
1 1 1    7   10   22 o  304.007   2.4131 -2.213104 4.826256 
1 1 1    7   10   23 o  227.846   2.9932 6.478821 5.986414 
1 1 1    7   10   24 o  246.480   2.6383 -6.456833 5.276585 
1 1 1    7   10   25 o   94.093   7.3831 21.02629 14.76612 
1 1 1    7   10   26 o  159.352   3.6121 -4.916595 7.224292 
1 1 1    7   10   27 o  179.507   3.6279 -2.558685 7.255702 
1 1 1    7   10   28 o   26.528   8.5932 1.357388 17.18648 
1 1 1    7   10   29 o   29.513   9.1102 2.812250 18.22042 
1 1 1    7   10   30 o   99.310   5.1593 -8.058922 10.31854 
1 1 1    7   10   31 o   89.360   5.8300 11.80180 11.65996 
1 1 1    7   10   32 o   95.907   5.9807 -13.50288 11.96150 
1 1 1    7   10   33 o   90.212   5.6604 6.103928 11.32071 
1 1 1    7   10   34 o  124.832   4.5357 3.410522 9.071498 
1 1 1    7   10   35 o   44.873   10.548 0.7145844 21.09624 
1 1 1    7   10   36 o   87.415   6.5473 -4.109688 13.09453 
1 1 1    7   10   37 o   32.622   9.7797 -5.077478 19.55949 
1 1 1    7   10   38 x  ?   ?       ?      ? 
1 1 1    7   11    0 o  174.724   2.0158 0.000000 0.000000 
1 1 1    7   11    1 o  171.045   1.1806 -1.545212 2.361261 
1 1 1    7   11    2 o  297.948   1.6401 -5.910095 3.280132 
1 1 1    7   11    3 o   81.868   2.0197 -1.540680 4.039491 
1 1 1    7   11    4 o  414.275   2.5588 3.894653 5.117529 
1 1 1    7   11    5 o  257.800   1.7397 0.1903381 3.479452 
1 1 1    7   11    6 o  342.192   2.1693 -0.5034485 4.338510 
1 1 1    7   11    7 o  211.397   1.6098 6.752808 3.219677 
1 1 1    7   11    8 o  388.397   2.4353 0.6673584 4.870541 
1 1 1    7   11    9 o  206.279   1.5135 3.905045 3.027023 
1 1 1    7   11   10 o  254.833   1.5553 -8.316986 3.110692 
1 1 1    7   11   11 o  309.905   2.0839 6.778992 4.167799 
1 1 1    7   11   12 o  120.309   1.9798 -3.582474 3.959540 
1 1 1    7   11   13 o  430.277   2.3540 0.4786987 4.708065 
1 1 1    7   11   14 o  158.586   2.5746 -16.88097 5.149205 
1 1 1    7   11   15 o  150.097   2.0234 -3.274612 4.046844 
1 1 1    7   11   16 o  323.356   2.0629 -1.321411 4.125713 
1 1 1    7   11   17 o  885.521   4.8166 7.139954 9.633236 
1 1 1    7   11   18 o  367.510   2.3165 -1.935730 4.633088 
1 1 1    7   11   19 o  403.252   2.7913 38.98291 5.582652 
1 1 1    7   11   20 o  143.909   3.1973 -0.3207245 6.394652 
1 1 1    7   11   21 o  235.425   2.4929 -4.170639 4.985775 
1 1 1    7   11   22 o  544.475   3.2933 7.181641 6.586688 
1 1 1    7   11   23 o  156.222   3.5332 -11.62798 7.066437 
1 1 1    7   11   24 o   56.872   9.6296 22.79891 19.25925 
1 1 1    7   11   25 o  249.981   2.9690 1.159073 5.937923 
1 1 1    7   11   26 o   58.068   8.9146 33.84536 17.82916 
1 1 1    7   11   27 o   36.557   9.9791 -9.464170 19.95814 
1 1 1    7   11   28 o  308.408   2.4900 -0.3252869 4.979969 
1 1 1    7   11   29 o  143.088   3.7647 6.441071 7.529410 
1 1 1    7   11   30 o   37.213   9.8217 -11.20628 19.64334 
1 1 1    7   11   31 f   23.802   8.0568 -4.213121 16.11357 
1 1 1    7   11   32 o  143.856   3.7299 2.166458 7.459716 
1 1 1    7   11   33 o   45.724   9.8326 -4.770771 19.66526 
1 1 1    7   11   34 o   32.130   9.3109 -12.15402 18.62180 
1 1 1    7   11   35 o   98.950   5.2780 -7.558601 10.55602 
1 1 1    7   11   36 o   25.968   8.5238 -4.993479 17.04752 
1 1 1    7   11   37 o   33.316   9.5597 -3.935339 19.11939 
1 1 1    7   12    0 o  123.951   2.5416 0.000000 0.000000 
1 1 1    7   12    1 o   67.965   2.0058 2.057625 4.011539 
1 1 1    7   12    2 o  202.921   1.2820 0.7718964 2.563920 
1 1 1    7   12    3 o  137.928   1.3419 -2.348450 2.683715 
1 1 1    7   12    4 o  245.688   1.6877 -0.5163574E-01 3.375337 
1 1 1    7   12    5 o  125.935   1.6689 -4.323891 3.337735 
1 1 1    7   12    6 o  211.943   1.6192 2.079514 3.238422 
1 1 1    7   12    7 o  153.035   1.6337 3.339752 3.267450 
1 1 1    7   12    8 o  229.747   1.7241 3.735321 3.448108 
1 1 1    7   12    9 o  101.238   2.1995 -9.530754 4.398904 
1 1 1    7   12   10 o  389.732   2.3189 -0.2785950 4.637893 
1 1 1    7   12   11 o  525.489   2.8064 5.379761 5.612791 
1 1 1    7   12   12 o  117.066   2.0788 6.464684 4.157589 
1 1 1    7   12   13 o  246.481   1.6756 -2.050858 3.351130 
1 1 1    7   12   14 o  358.211   2.0690 3.343933 4.138057 
1 1 1    7   12   15 o   29.918   7.4362 -3.011240 14.87243 
1 1 1    7   12   16 o  601.741   3.3299 3.900208 6.659886 
1 1 1    7   12   17 o  317.008   2.1151 -2.860321 4.230249 
1 1 1    7   12   18 o  432.969   2.7263 -5.986420 5.452672 
1 1 1    7   12   19 o   19.258   6.5999 3.525719 13.19981 
1 1 1    7   12   20 o  366.217   2.5953 6.311798 5.190504 
1 1 1    7   12   21 o  196.903   2.6929 -1.654526 5.385822 
1 1 1    7   12   22 o  336.201   2.6438 20.09058 5.287582 
1 1 1    7   12   23 o  103.058   5.6372 -10.66341 11.27442 
1 1 1    7   12   24 o  220.858   2.8790 18.93704 5.757996 
1 1 1    7   12   25 o   77.312   6.9119 -3.901794 13.82375 
1 1 1    7   12   26 o   56.089   9.2182 17.34000 18.43644 
1 1 1    7   12   27 o  168.287   3.2293 3.739365 6.458642 
1 1 1    7   12   28 o   58.991   9.0082 -2.161472 18.01638 
1 1 1    7   12   29 o  120.774   4.8753 5.336700 9.750645 
1 1 1    7   12   30 o   47.842   9.5535 4.057270 19.10704 
1 1 1    7   12   31 o   88.844   6.6879 34.65961 13.37579 
1 1 1    7   12   32 o   79.293   6.1974 -5.509407 12.39482 
1 1 1    7   12   33 o   91.210   5.3468 -7.863274 10.69361 
1 1 1    7   12   34 o  103.823   4.9296 -1.028313 9.859203 
1 1 1    7   12   35 o   98.210   5.4332 -0.9826660E-02 10.86647 
1 1 1    7   12   36 o   36.398   9.6847 -23.72889 19.36943 
1 1 1    7   12   37 o   73.597   6.8319 6.338203 13.66383 
1 1 1    7   13    0 o  432.576   3.2665 0.000000 0.000000 
1 1 1    7   13    1 o  127.750   1.9148 18.59050 3.829674 
1 1 1    7   13    2 f  172.229   1.2661 0.4917908 2.532197 
1 1 1    7   13    3 o  257.324   1.6259 5.785583 3.251858 
1 1 1    7   13    4 o  255.722   1.7644 7.157669 3.528877 
1 1 1    7   13    5 o  595.219   3.6270 0.2828979 7.253998 
1 1 1    7   13    6 o  353.240   2.2506 3.332245 4.501259 
1 1 1    7   13    7 o  527.196   3.2319 -2.719849 6.463852 
1 1 1    7   13    8 o  570.151   3.4891 -2.277283 6.978200 
1 1 1    7   13    9 o  717.409   4.8885 -5.922241 9.777036 
1 1 1    7   13   10 o  256.192   1.7031 -3.089951 3.406185 
1 1 1    7   13   11 f  449.509   2.4373 -0.3546143 4.874585 
1 1 1    7   13   12 o  440.383   2.4052 -3.744629 4.810489 
1 1 1    7   13   13 o  216.249   2.1742 8.156082 4.348336 
1 1 1    7   13   14 o  111.846   2.4316 -0.6249008 4.863174 
1 1 1    7   13   15 o  262.541   1.8205 -1.580170 3.640932 
1 1 1    7   13   16 o  461.438   2.5560 -7.519073 5.111959 
1 1 1    7   13   17 o  318.945   2.6549 -10.50647 5.309705 
1 1 1    7   13   18 x  ?   ?       ?      ? 
1 1 1    7   13   19 o  286.086   2.4789 -12.31329 4.957842 
1 1 1    7   13   20 o  378.839   2.4808 -1.015625 4.961621 
1 1 1    7   13   21 o  324.084   2.8850 -8.944153 5.769953 
1 1 1    7   13   22 o  266.573   2.4964 -6.753571 4.992766 
1 1 1    7   13   23 o  235.351   2.5528 -3.483276 5.105679 
1 1 1    7   13   24 o  294.144   2.4644 0.6686401 4.928898 
1 1 1    7   13   25 o  141.484   3.7434 2.815994 7.486897 
1 1 1    7   13   26 o   63.378   8.4292 -16.28323 16.85843 
1 1 1    7   13   27 o  236.466   2.9903 3.609070 5.980656 
1 1 1    7   13   28 o  145.595   3.6761 2.705948 7.352215 
1 1 1    7   13   29 o   64.928   8.0227 11.96522 16.04532 
1 1 1    7   13   30 o   69.261   7.2642 -12.61958 14.52841 
1 1 1    7   13   31 o   38.195   9.9091 -2.327732 19.81829 
1 1 1    7   13   32 o  133.058   3.8011 2.008850 7.602252 
1 1 1    7   13   33 o   91.565   5.4268 0.6976471 10.85369 
1 1 1    7   13   34 o   67.774   8.0219 12.34627 16.04387 
1 1 1    7   13   35 o   46.083   10.369 -9.884884 20.73756 
1 1 1    7   13   36 o   30.596   9.2606 0.4011669 18.52120 
1 1 1    7   13   37 x  ?   ?       ?      ? 
1 1 1    7   14    0 o  147.906   1.9292 0.000000 0.000000 
1 1 1    7   14    1 o  264.940   1.5516 -1.610229 3.103154 
1 1 1    7   14    2 o  112.228   1.9315 0.7709427 3.862984 
1 1 1    7   14    3 o  265.509   1.8650 3.425842 3.730000 
1 1 1    7   14    4 o  394.390   2.4682 -1.224365 4.936424 
1 1 1    7   14    5 o  220.799   1.6853 6.176163 3.370692 
1 1 1    7   14    6 o  180.246   2.3836      ?      ? 
1 1 1    7   14    7 o  405.251   2.5535 -3.974792 5.106969 
1 1 1    7   14    8 o  516.903   3.5742 1.768127 7.148463 
1 1 1    7   14    9 o  253.155   1.9104 -2.427704 3.820777 
1 1 1    7   14   10 o  327.141   2.2088 3.689575 4.417549 
1 1 1    7   14   11 o   44.335   4.7795 -7.187984 9.558933 
1 1 1    7   14   12 o  571.920   3.0587 2.967590 6.117343 
1 1 1    7   14   13 o  767.099   4.0534 10.47266 8.106772 
1 1 1    7   14   14 o   46.282   5.8830 -14.34785 11.76597 
1 1 1    7   14   15 o  206.279   1.8662 -0.2595215 3.732472 
1 1 1    7   14   16 o  397.960   2.3148 -3.649292 4.629591 
1 1 1    7   14   17 o  269.520   2.1681 -3.705505 4.336203 
1 1 1    7   14   18 o  387.725   2.4588 -3.143250 4.917544 
1 1 1    7   14   19 o  188.171   3.3254 8.171692 6.650894 
1 1 1    7   14   20 o  280.380   2.4923 -2.470215 4.984545 
1 1 1    7   14   21 o  281.249   2.7282 5.739594 5.456339 
1 1 1    7   14   22 o   70.784   6.6330 2.066162 13.26593 
1 1 1    7   14   23 o  131.879   3.8773 1.754425 7.754601 
1 1 1    7   14   24 o   45.645   9.9734 -8.422604 19.94674 
1 1 1    7   14   25 o  217.125   4.8967 -4.882751 9.793455 
1 1 1    7   14   26 o  179.223   3.0578 4.935562 6.115530 
1 1 1    7   14   27 o  102.460   4.8188 -3.369904 9.637557 
1 1 1    7   14   28 o   53.166   9.0870 -1.861649 18.17397 
1 1 1    7   14   29 o   60.694   8.1601 7.162712 16.32013 
1 1 1    7   14   30 f  153.171   5.5175 5.573196 11.03499 
1 1 1    7   14   31 o   32.218   9.2868 -6.668951 18.57366 
1 1 1    7   14   32 o  125.625   4.0147 1.371002 8.029465 
1 1 1    7   14   33 o   54.873   8.9814 -21.65254 17.96281 
1 1 1    7   14   34 o   37.380   9.9474 2.408760 19.89487 
1 1 1    7   14   35 o   80.070   6.6821 -3.688873 13.36429 
1 1 1    7   14   36 o   30.093   9.1054 -9.943390 18.21088 
1 1 1    7   15    0 o   77.360   3.2229 0.000000 0.000000 
1 1 1    7   15    1 o   90.154   2.3550      ?      ? 
1 1 1    7   15    2 o  361.480   2.4329 -2.849426 4.865728 
1 1 1    7   15    3 o  125.906   2.0409 -11.18679 4.081793 
1 1 1    7   15    4 o  358.825   2.8073      ?      ? 
1 1 1    7   15    5 o  411.375   3.6637 15.45242 7.327407 
1 1 1    7   15    6 o  241.048   2.1024 1.401779 4.204721 
1 1 1    7   15    7 o  371.922   2.3911 -3.565369 4.782197 
1 1 1    7   15    8 f  216.632   1.8802 -0.4545288 3.760337 
1 1 1    7   15    9 o  512.062   3.1808 3.208252 6.361546 
1 1 1    7   15   10 o  264.884   2.2077 1.467438 4.415427 
1 1 1    7   15   11 o  320.819   2.0278 4.107849 4.055568 
1 1 1    7   15   12 o  322.776   1.9514 6.082581 3.902865 
1 1 1    7   15   13 o  286.770   1.8622 -3.910950 3.724431 
1 1 1    7   15   14 o  379.138   2.1969 -1.706268 4.393793 
1 1 1    7   15   15 o  264.581   1.9559 0.4693298 3.911761 
1 1 1    7   15   16 o  378.230   2.8676 27.05838 5.735238 
1 1 1    7   15   17 o  453.893   2.8338 -5.000916 5.667670 
1 1 1    7   15   18 o  503.473   3.6511 -19.73499 7.302218 
1 1 1    7   15   19 o   96.258   4.4175 14.46489 8.835049 
1 1 1    7   15   20 o  201.782   3.1370 53.92303 6.274042 
1 1 1    7   15   21 o   78.677   7.1650 -21.64513 14.33008 
1 1 1    7   15   22 o  110.211   4.3597 -9.360611 8.719477 
1 1 1    7   15   23 o  155.224   3.8150 7.135880 7.630046 
1 1 1    7   15   24 o  280.929   2.5513 -8.009338 5.102617 
1 1 1    7   15   25 o   71.134   7.1509 -4.504005 14.30185 
1 1 1    7   15   26 o  114.174   4.3266 13.61659 8.653241 
1 1 1    7   15   27 o  142.299   3.4952 -2.981506 6.990357 
1 1 1    7   15   28 o  157.959   3.1326 4.174103 6.265221 
1 1 1    7   15   29 o   26.387   8.4659 -8.083557 16.93183 
1 1 1    7   15   30 o   28.659   8.8424 -11.88464 17.68479 
1 1 1    7   15   31 o   58.328   8.5739 -0.5602875 17.14774 
1 1 1    7   15   32 o   30.949   9.2834 -5.169689 18.56684 
1 1 1    7   15   33 o   45.723   9.5700 -21.34052 19.14002 
1 1 1    7   15   34 f  102.214   5.3568 14.58034 10.71370 
1 1 1    7   15   35 o   28.052   8.8843 -6.740631 17.76867 
1 1 1    7   15   36 o   47.412   8.9230 16.26217 17.84608 
1 1 1    7   16    0 o  284.425   2.6662 0.000000 0.000000 
1 1 1    7   16    1 o   21.961   6.3583 4.185841 12.71665 
1 1 1    7   16    2 o  465.433   2.5719 7.020691 5.143865 
1 1 1    7   16    3 o  396.628   2.5528 3.626984 5.105618 
1 1 1    7   16    4 o  361.837   2.4652 -16.11301 4.930474 
1 1 1    7   16    5 o  226.929   1.8475 4.510162 3.694899 
1 1 1    7   16    6 o  168.769   1.9846 1.200912 3.969188 
1 1 1    7   16    7 o  297.585   2.0982 -2.299225 4.196472 
1 1 1    7   16    8 o  213.131   1.9610 -4.541687 3.921985 
1 1 1    7   16    9 o  677.215   4.1402 11.32825 8.280483 
1 1 1    7   16   10 o  220.971   2.0551 0.7751465E-01 4.110291 
1 1 1    7   16   11 o  366.645   2.3000 -0.8879089 4.599909 
1 1 1    7   16   12 o  321.025   2.4747 1.142517 4.949381 
1 1 1    7   16   13 o  346.811   2.0653 -6.572510 4.130510 
1 1 1    7   16   14 x  ?   ?       ?      ? 
1 1 1    7   16   15 o  242.333   2.2438 5.748108 4.487515 
1 1 1    7   16   16 o   41.728   8.2254 -4.500790 16.45083 
1 1 1    7   16   17 o  180.486   3.6145      ?      ? 
1 1 1    7   16   18 o  358.180   2.3791 -8.803864 4.758246 
1 1 1    7   16   19 o  154.071   3.3537 -16.66911 6.707401 
1 1 1    7   16   20 o  325.897   2.4200 2.516388 4.840064 
1 1 1    7   16   21 o  171.537   3.2587 -13.23450 6.517324 
1 1 1    7   16   22 o  123.553   3.9405 5.605797 7.880902 
1 1 1    7   16   23 o  186.107   2.8654 0.6193848 5.730749 
1 1 1    7   16   24 o  103.168   4.8998 -13.08914 9.799552 
1 1 1    7   16   25 o  112.613   4.3530 4.645409 8.706061 
1 1 1    7   16   26 o  100.187   4.6182 -8.136803 9.236428 
1 1 1    7   16   27 o  209.551   2.6307 0.4482880 5.261414 
1 1 1    7   16   28 o   99.619   4.6098 -2.878487 9.219635 
1 1 1    7   16   29 o   76.940   6.9462 15.07940 13.89245 
1 1 1    7   16   30 o   35.738   9.3984 -13.43868 18.79672 
1 1 1    7   16   31 o   30.497   8.7145 12.13556 17.42899 
1 1 1    7   16   32 o  114.233   4.5424 16.35127 9.084882 
1 1 1    7   16   33 o   34.554   9.7258 -0.6587601E-01 19.45156 
1 1 1    7   16   34 o   29.752   9.1251 3.488903 18.25019 
1 1 1    7   16   35 o   80.899   5.9645 -26.81176 11.92903 
1 1 1    7   17    0 o  256.855   2.7695 0.000000 0.000000 
1 1 1    7   17    1 o  146.264   1.9493 3.214554 3.898573 
1 1 1    7   17    2 o  324.754   1.9333 -1.945068 3.866560 
1 1 1    7   17    3 o  238.978   1.6521 -4.847748 3.304298 
1 1 1    7   17    4 o  181.131   1.6938 10.56934 3.387594 
1 1 1    7   17    5 o  324.789   1.9626 -4.325409 3.925171 
1 1 1    7   17    6 o  463.191   2.9097 -7.990967 5.819340 
1 1 1    7   17    7 o  476.583   2.9935 -1.298126 5.987040 
1 1 1    7   17    8 o  360.939   2.9155 1.149414 5.831038 
1 1 1    7   17    9 o  361.457   2.7847 -7.646301 5.569438 
1 1 1    7   17   10 o  258.692   2.3212 5.475800 4.642315 
1 1 1    7   17   11 o  456.001   2.5182 6.460449 5.036405 
1 1 1    7   17   12 o  457.829   2.5446 8.364319 5.089245 
1 1 1    7   17   13 o  360.766   2.8136 -17.64673 5.627148 
1 1 1    7   17   14 o  124.418   3.3426 -25.91318 6.685253 
1 1 1    7   17   15 o  276.613   2.0669 -1.726593 4.133894 
1 1 1    7   17   16 o  519.557   3.1006 6.597900 6.201250 
1 1 1    7   17   17 o  188.491   2.4094 -2.229507 4.818730 
1 1 1    7   17   18 o  192.151   2.4582 -2.267868 4.916303 
1 1 1    7   17   19 o  374.854   2.8447 -1.347900 5.689393 
1 1 1    7   17   20 o   62.523   7.4259 -11.44074 14.85187 
1 1 1    7   17   21 o  125.410   3.7677 2.675636 7.535428 
1 1 1    7   17   22 o  146.426   3.3123 -0.2033386 6.624637 
1 1 1    7   17   23 f   59.383   8.3242 -23.32730 16.64835 
1 1 1    7   17   24 o   65.725   7.5565 11.77243 15.11307 
1 1 1    7   17   25 o  125.673   3.9777 -3.127884 7.955484 
1 1 1    7   17   26 o  120.221   4.8097 -3.600456 9.619314 
1 1 1    7   17   27 o  110.281   4.1597 2.713455 8.319350 
1 1 1    7   17   28 o   44.050   6.9703 -50.13922 13.94065 
1 1 1    7   17   29 o   61.783   7.8465 1.199276 15.69295 
1 1 1    7   17   30 o  113.490   4.2088 3.236183 8.417651 
1 1 1    7   17   31 o  131.698   3.7624 -7.184845 7.524734 
1 1 1    7   17   32 o   80.304   6.3998 10.70944 12.79963 
1 1 1    7   17   33 o   34.813   9.7573 -6.414236 19.51470 
1 1 1    7   17   34 o   78.060   6.6988 11.26932 13.39768 
1 1 1    7   17   35 o   27.313   8.1675 8.969389 16.33502 
1 1 1    7   18    0 o  133.153   3.0477 0.000000 0.000000 
1 1 1    7   18    1 o  468.495   2.9168 3.626282 5.833575 
1 1 1    7   18    2 o  131.591   2.2112 5.870224 4.422326 
1 1 1    7   18    3 o  127.799   2.4544 4.174835 4.908772 
1 1 1    7   18    4 o  261.045   1.8132 -3.311310 3.626420 
1 1 1    7   18    5 o  185.127   2.0090 -8.655960 4.017910 
1 1 1    7   18    6 o  322.866   2.1000 4.223022 4.200021 
1 1 1    7   18    7 o  560.292   3.9008 -4.591675 7.801516 
1 1 1    7   18    8 f  350.373   2.7778 -4.591370 5.555503 
1 1 1    7   18    9 o   71.027   4.9216 8.825859 9.843209 
1 1 1    7   18   10 o  378.164   2.8124 1.099457 5.624891 
1 1 1    7   18   11 o  203.380   2.4612      ?      ? 
1 1 1    7   18   12 o  130.587   3.0463      ?      ? 
1 1 1    7   18   13 o  157.313   2.1818 -0.9603424 4.363565 
1 1 1    7   18   14 o  271.400   2.0332 -0.8937683 4.066306 
1 1 1    7   18   15 o  359.499   2.2729 3.577942 4.545851 
1 1 1    7   18   16 o  175.668   2.3302 4.311630 4.660415 
1 1 1    7   18   17 o   94.434   4.4234 12.45843 8.846769 
1 1 1    7   18   18 o  177.623   2.6509 -3.585968 5.301763 
1 1 1    7   18   19 o  246.158   2.3078 0.3642731 4.615509 
1 1 1    7   18   20 o  202.251   2.5312 0.7749176 5.062450 
1 1 1    7   18   21 o  336.179   2.3964 9.868622 4.792732 
1 1 1    7   18   22 o  206.382   2.5687 2.088364 5.137434 
1 1 1    7   18   23 o  162.540   3.0405 6.252014 6.081037 
1 1 1    7   18   24 o   62.234   7.6113 19.87326 15.22263 
1 1 1    7   18   25 o  191.492   2.6409 -5.300186 5.281826 
1 1 1    7   18   26 o   47.577   8.9463 -2.411812 17.89255 
1 1 1    7   18   27 o   23.839   7.8148 -4.691418 15.62965 
1 1 1    7   18   28 o   68.644   6.7496 -11.17545 13.49922 
1 1 1    7   18   29 o  163.149   3.0614 6.200470 6.122801 
1 1 1    7   18   30 o   76.394   6.2343 3.531059 12.46853 
1 1 1    7   18   31 o   53.946   9.0320 -1.024567 18.06392 
1 1 1    7   18   32 o   63.090   8.1588 12.77472 16.31767 
1 1 1    7   18   33 o   30.687   9.1392 1.359207 18.27846 
1 1 1    7   18   34 o   32.000   9.1810 -11.30392 18.36195 
1 1 1    7   19    0 o  118.170   3.7207 0.000000 0.000000 
1 1 1    7   19    1 o  130.061   2.7105 -20.79819 5.420952 
1 1 1    7   19    2 o  352.776   2.0319 -1.806122 4.063745 
1 1 1    7   19    3 o  257.555   1.7408 1.857574 3.481516 
1 1 1    7   19    4 o  399.625   2.3244 6.488037 4.648715 
1 1 1    7   19    5 o  109.649   2.5709 -3.903908 5.141715 
1 1 1    7   19    6 o  149.454   2.0473 -3.476074 4.094568 
1 1 1    7   19    7 f  268.072   1.7788 -8.205292 3.557516 
1 1 1    7   19    8 o  170.143   2.5364 -2.982376 5.072844 
1 1 1    7   19    9 o  287.922   2.5901 5.126129 5.180280 
1 1 1    7   19   10 o  265.177   4.5179      ?      ? 
1 1 1    7   19   11 o  361.802   2.1938 -1.013489 4.387530 
1 1 1    7   19   12 o  102.187   2.8330 10.69434 5.665994 
1 1 1    7   19   13 o  422.648   2.7195 -5.323273 5.439053 
1 1 1    7   19   14 o  320.991   2.3485 -0.3538818 4.697093 
1 1 1    7   19   15 o   28.974   8.0231 8.118658 16.04615 
1 1 1    7   19   16 o  329.049   3.2769 -10.18878 6.553770 
1 1 1    7   19   17 o   41.796   7.8787 -19.75848 15.75744 
1 1 1    7   19   18 f  123.518   3.3807 -10.50652 6.761302 
1 1 1    7   19   19 o  285.231   2.3392 5.708771 4.678317 
1 1 1    7   19   20 o  151.110   3.0766 -1.536774 6.153137 
1 1 1    7   19   21 f  120.813   3.6928 -12.99059 7.385626 
1 1 1    7   19   22 o  106.063   4.1929 12.52533 8.385855 
1 1 1    7   19   23 o   40.340   8.4834 -22.18205 16.96674 
1 1 1    7   19   24 o  106.862   4.1632 -1.734215 8.326364 
1 1 1    7   19   25 o  163.429   2.8489 2.145309 5.697901 
1 1 1    7   19   26 o  161.395   2.8504 5.764786 5.700716 
1 1 1    7   19   27 o  115.495   5.6205      ?      ? 
1 1 1    7   19   28 o   34.894   9.1838 -12.96048 18.36761 
1 1 1    7   19   29 o  113.873   4.1906 -7.295578 8.381221 
1 1 1    7   19   30 o  109.735   4.3170 -5.963974 8.634020 
1 1 1    7   19   31 o   31.031   9.1456 2.892412 18.29120 
1 1 1    7   19   32 o  104.702   4.6760 -7.599686 9.351963 
1 1 1    7   19   33 o   28.403   8.7103 -7.864710 17.42069 
1 1 1    7   19   34 o   22.055   7.5762 -13.04202 15.15233 
1 1 1    7   20    0 o  148.030   3.3598 0.000000 0.000000 
1 1 1    7   20    1 o  443.349   2.6227 4.370697 5.245460 
1 1 1    7   20    2 o  430.338   2.3841 -0.9458923 4.768209 
1 1 1    7   20    3 o  518.085   2.7991 0.5106812 5.598255 
1 1 1    7   20    4 o  576.529   3.0880 -8.656006 6.176017 
1 1 1    7   20    5 o  250.176   1.9465 -14.15559 3.892926 
1 1 1    7   20    6 o  467.762   2.6958 -3.757294 5.391528 
1 1 1    7   20    7 o  185.999   2.0670 0.3507996E-01 4.133903 
1 1 1    7   20    8 f  474.386   3.7419 91.17999 7.483715 
1 1 1    7   20    9 o  102.826   6.3053 -51.21646 12.61070 
1 1 1    7   20   10 o  297.855   2.2566 -3.368866 4.513197 
1 1 1    7   20   11 o  206.954   2.3063 -5.330078 4.612589 
1 1 1    7   20   12 o  214.217   2.5736 13.14085 5.147205 
1 1 1    7   20   13 o  235.667   2.3631 -4.079208 4.726276 
1 1 1    7   20   14 f  294.875   2.1098 -4.716736 4.219611 
1 1 1    7   20   15 f  280.857   2.1912 8.920380 4.382449 
1 1 1    7   20   16 o  137.125   2.8201 -3.243179 5.640146 
1 1 1    7   20   17 o   62.196   5.8984 5.300446 11.79683 
1 1 1    7   20   18 o  115.282   3.5040 -9.628021 7.008007 
1 1 1    7   20   19 o   69.348   6.1340 19.66144 12.26798 
1 1 1    7   20   20 o   99.860   4.2686 -6.132011 8.537230 
1 1 1    7   20   21 o  168.673   2.7095 2.683929 5.418916 
1 1 1    7   20   22 o  203.083   2.4400 2.309875 4.880089 
1 1 1    7   20   23 o  108.401   3.7921 -2.959755 7.584128 
1 1 1    7   20   24 o  189.569   2.5037 -0.3281097 5.007304 
1 1 1    7   20   25 o  133.424   3.4319 8.589859 6.863844 
1 1 1    7   20   26 o   94.341   4.9193 18.18106 9.838614 
1 1 1    7   20   27 o   27.165   8.4500 3.124123 16.89995 
1 1 1    7   20   28 o  126.680   3.6890 2.641998 7.377961 
1 1 1    7   20   29 o   92.700   6.2540 10.34678 12.50804 
1 1 1    7   20   30 o   91.025   5.3530 17.24825 10.70591 
1 1 1    7   20   31 o   69.884   6.9601 -1.443466 13.92018 
1 1 1    7   20   32 o   32.119   9.2645 -10.79841 18.52894 
1 1 1    7   20   33 o   36.116   8.8179 11.19777 17.63574 
1 1 1    7   21    0 x  ?   ?       ?      ? 
1 1 1    7   21    1 o  365.838   2.1708 3.130432 4.341646 
1 1 1    7   21    2 o  445.616   2.7007 -4.046570 5.401387 
1 1 1    7   21    3 o  196.091   2.3953 23.36337 4.790514 
1 1 1    7   21    4 o  404.311   2.5298 14.37915 5.059610 
1 1 1    7   21    5 o  570.303   3.5899 -15.85120 7.179704 
1 1 1    7   21    6 o   70.093   6.7990 -39.22956 13.59796 
1 1 1    7   21    7 o   33.908   6.0160 26.76810 12.03200 
1 1 1    7   21    8 o  208.541   1.9770 -5.270508 3.953985 
1 1 1    7   21    9 o   63.609   4.3872 11.67430 8.774455 
1 1 1    7   21   10 o  385.219   2.9120 -24.07690 5.823926 
1 1 1    7   21   11 o   55.012   5.6849 0.7377853 11.36984 
1 1 1    7   21   12 o  107.806   2.8708 14.94016 5.741616 
1 1 1    7   21   13 o  193.707   2.4767 29.32950 4.953357 
1 1 1    7   21   14 o  154.731   2.4529 -4.183899 4.905885 
1 1 1    7   21   15 o  152.903   2.5125 2.751511 5.024930 
1 1 1    7   21   16 o  223.475   2.1967 -2.369583 4.393321 
1 1 1    7   21   17 o  251.059   2.2056 -3.592194 4.411201 
1 1 1    7   21   18 o  121.922   3.1794 -6.087151 6.358753 
1 1 1    7   21   19 o  111.171   3.7501 -9.437073 7.500109 
1 1 1    7   21   20 o   42.646   8.4805 -19.20833 16.96092 
1 1 1    7   21   21 o  149.416   2.8493 1.601105 5.698657 
1 1 1    7   21   22 o  186.975   2.4974 4.236526 4.994851 
1 1 1    7   21   23 o  171.186   2.5613 -0.7298279 5.122567 
1 1 1    7   21   24 o   36.864   8.0568 -24.06782 16.11367 
1 1 1    7   21   25 o   97.400   4.4051 -4.165352 8.810237 
1 1 1    7   21   26 o   23.343   7.4843 10.21015 14.96860 
1 1 1    7   21   27 o  109.544   5.0650 -2.460571 10.12993 
1 1 1    7   21   28 f   58.983   7.7679 7.269978 15.53584 
1 1 1    7   21   29 o   32.044   8.7621 11.92312 17.52423 
1 1 1    7   21   30 o  106.325   4.5268 1.571587 9.053583 
1 1 1    7   21   31 f   44.167   9.4004 6.039333 18.80078 
1 1 1    7   21   32 o   60.858   7.8011 -2.240078 15.60212 
1 1 1    7   22    0 x  ?   ?       ?      ? 
1 1 1    7   22    1 o  275.208   2.0251 1.702515 4.050291 
1 1 1    7   22    2 o  202.507   2.5386 8.126282 5.077251 
1 1 1    7   22    3 o  337.241   2.1409 -5.478516 4.281781 
1 1 1    7   22    4 o  177.312   3.3740 12.48872 6.748084 
1 1 1    7   22    5 o  185.898   2.3150 6.832718 4.630088 
1 1 1    7   22    6 o  146.604   2.9329 12.57928 5.865800 
1 1 1    7   22    7 o  291.546   2.7019 -11.15753 5.403890 
1 1 1    7   22    8 o  316.018   2.3082 -0.8449402 4.616418 
1 1 1    7   22    9 o  450.993   2.5852 -7.611267 5.170331 
1 1 1    7   22   10 o  269.399   2.0006 0.5209351 4.001129 
1 1 1    7   22   11 o  217.327   2.4217 1.140991 4.843481 
1 1 1    7   22   12 o  319.459   2.2709 -7.039551 4.541829 
1 1 1    7   22   13 o  243.016   2.0443 -1.609695 4.088586 
1 1 1    7   22   14 o   23.093   7.2316 5.074745 14.46328 
1 1 1    7   22   15 o  354.148   2.2727 -2.122437 4.545487 
1 1 1    7   22   16 o  225.292   2.1611 2.285614 4.322274 
1 1 1    7   22   17 f  260.127   2.3586 -2.387909 4.717297 
1 1 1    7   22   18 o   77.558   4.9220 -12.58407 9.844086 
1 1 1    7   22   19 o   86.133   4.5063 5.125107 9.012609 
1 1 1    7   22   20 o   50.503   7.7232 -2.662720 15.44638 
1 1 1    7   22   21 o  135.803   2.9242 -10.03847 5.848414 
1 1 1    7   22   22 o   69.277   6.4783 34.72947 12.95663 
1 1 1    7   22   23 o  168.058   2.6065 -8.597778 5.212909 
1 1 1    7   22   24 o   58.678   7.0657 -19.71535 14.13149 
1 1 1    7   22   25 o   31.395   8.6730 -5.559063 17.34608 
1 1 1    7   22   26 o   28.775   8.4858 -1.026443 16.97161 
1 1 1    7   22   27 o   26.962   8.1889 -10.20640 16.37788 
1 1 1    7   22   28 f   63.910   6.9924 -17.79615 13.98485 
1 1 1    7   22   29 o   98.750   4.6942 12.43867 9.388360 
1 1 1    7   22   30 o   51.999   8.5897 16.82721 17.17933 
1 1 1    7   22   31 o   41.253   9.2165 6.138332 18.43293 
1 1 1    7   22   32 o   42.725   9.6554 -18.69486 19.31088 
1 1 1    7   23    0 x  ?   ?       ?      ? 
1 1 1    7   23    1 o  312.213   4.4918      ?      ? 
1 1 1    7   23    2 o  372.735   2.9775 50.82471 5.955029 
1 1 1    7   23    3 o   76.882   5.1702 -11.45003 10.34040 
1 1 1    7   23    4 x  ?   ?       ?      ? 
1 1 1    7   23    5 o  159.168   2.5729 7.072739 5.145819 
1 1 1    7   23    6 f  168.855   2.1602 3.255722 4.320496 
1 1 1    7   23    7 o   80.589   3.8913 -9.470634 7.782556 
1 1 1    7   23    8 o   92.266   4.9923 -12.28571 9.984512 
1 1 1    7   23    9 o  155.837   3.8561 -23.82301 7.712213 
1 1 1    7   23   10 o  177.149   2.6667 -4.006042 5.333447 
1 1 1    7   23   11 o  120.598   2.7604 -9.251091 5.520819 
1 1 1    7   23   12 o  157.359   2.3167 -8.991821 4.633495 
1 1 1    7   23   13 o   84.246   3.9706 -16.42759 7.941181 
1 1 1    7   23   14 o  134.431   2.6513 -0.7386627 5.302603 
1 1 1    7   23   15 o  200.292   2.1552 4.941879 4.310403 
1 1 1    7   23   16 o  346.259   2.2846 -0.4538879 4.569263 
1 1 1    7   23   17 o   80.155   4.5391 -4.471443 9.078135 
1 1 1    7   23   18 o  208.756   2.2706 -2.386353 4.541116 
1 1 1    7   23   19 o   82.380   4.4741 7.119392 8.948274 
1 1 1    7   23   20 o   37.812   7.7551 24.41943 15.51017 
1 1 1    7   23   21 o   64.546   5.6836 -6.152611 11.36712 
1 1 1    7   23   22 o   84.766   4.4618 1.998352 8.923591 
1 1 1    7   23   23 o   44.058   6.8516 -41.66172 13.70320 
1 1 1    7   23   24 o   46.532   8.3619 -13.84988 16.72390 
1 1 1    7   23   25 o   86.710   4.6817 -7.006111 9.363436 
1 1 1    7   23   26 o   32.504   8.7423 6.025318 17.48464 
1 1 1    7   23   27 o   24.726   7.8952 -0.8200684 15.79047 
1 1 1    7   23   28 o   39.389   9.2040 -7.599060 18.40805 
1 1 1    7   23   29 o   39.623   9.5067 -8.498196 19.01343 
1 1 1    7   23   30 o  102.959   4.4810 -10.26561 8.962083 
1 1 1    7   23   31 o   58.980   7.6196 1.880024 15.23913 
1 1 1    7   24    0 o  280.033   3.2935 0.000000 0.000000 
1 1 1    7   24    1 o   63.840   6.2145 -12.85947 12.42904 
1 1 1    7   24    2 o  138.569   3.1214 -6.210358 6.242762 
1 1 1    7   24    3 o  206.229   2.2501 -4.749634 4.500210 
1 1 1    7   24    4 o  128.687   3.6797 -7.893051 7.359492 
1 1 1    7   24    5 o  267.623   2.6586 19.76874 5.317174 
1 1 1    7   24    6 o  411.542   2.7271 -20.46198 5.454127 
1 1 1    7   24    7 o  162.297   2.2850 6.036835 4.570035 
1 1 1    7   24    8 o  249.466   1.9928 -5.470963 3.985639 
1 1 1    7   24    9 o   91.198   3.4581 -5.499130 6.916272 
1 1 1    7   24   10 o   35.554   7.4878 -14.29852 14.97557 
1 1 1    7   24   11 o   33.223   8.8318 -2.345181 17.66366 
1 1 1    7   24   12 o  130.123   2.6483 -8.639626 5.296621 
1 1 1    7   24   13 o  133.736   2.5655 -2.492767 5.130998 
1 1 1    7   24   14 o   55.882   6.1489 -11.74822 12.29777 
1 1 1    7   24   15 o  160.053   2.3869 3.997589 4.773817 
1 1 1    7   24   16 o   87.319   4.0168 -1.270210 8.033698 
1 1 1    7   24   17 o   67.074   5.1145 4.861992 10.22892 
1 1 1    7   24   18 o  239.309   2.1588 2.870453 4.317683 
1 1 1    7   24   19 o  164.109   2.3932 2.586441 4.786351 
1 1 1    7   24   20 o   43.732   7.8915 -7.047157 15.78297 
1 1 1    7   24   21 o  159.179   2.4747 -2.093338 4.949419 
1 1 1    7   24   22 o   89.016   4.1925 -10.18387 8.384939 
1 1 1    7   24   23 o   33.846   8.6205 -0.9627113 17.24092 
1 1 1    7   24   24 o  144.129   2.8557 2.487854 5.711473 
1 1 1    7   24   25 o   20.143   6.8216 4.915668 13.64320 
1 1 1    7   24   26 o   33.999   8.9957 1.641659 17.99138 
1 1 1    7   24   27 o   96.546   4.3474 -1.427307 8.694836 
1 1 1    7   24   28 o  109.353   4.0412 9.646172 8.082320 
1 1 1    7   24   29 o   64.784   7.1197 4.687447 14.23949 
1 1 1    7   24   30 o   22.570   7.4596 0.1646652 14.91924 
1 1 1    7   25    0 o  322.167   3.4578 0.000000 0.000000 
1 1 1    7   25    1 o  140.367   3.0274 -8.509903 6.054888 
1 1 1    7   25    2 o  218.404   2.5392 5.627472 5.078344 
1 1 1    7   25    3 o  257.761   2.1528 1.934357 4.305527 
1 1 1    7   25    4 o  257.331   2.3549 5.248016 4.709793 
1 1 1    7   25    5 o  232.530   2.1655 0.9716797E-01 4.331016 
1 1 1    7   25    6 o   60.641   5.4623 5.515705 10.92460 
1 1 1    7   25    7 o  216.707   2.0355 -0.3444519 4.070982 
1 1 1    7   25    8 o   99.927   3.3131 -17.43127 6.626188 
1 1 1    7   25    9 o   98.097   3.8530 -21.59771 7.705995 
1 1 1    7   25   10 o  174.088   2.1644 -4.475494 4.328762 
1 1 1    7   25   11 o  136.396   2.4656 -0.9910736 4.931103 
1 1 1    7   25   12 o  188.777   2.0961 -1.298309 4.192257 
1 1 1    7   25   13 o   92.598   3.4630 1.495567 6.925979 
1 1 1    7   25   14 o   61.754   5.3594 -11.84021 10.71875 
1 1 1    7   25   15 o   25.788   7.5582 4.880903 15.11641 
1 1 1    7   25   16 o  272.925   2.0672 4.222992 4.134465 
1 1 1    7   25   17 o  187.038   2.1243 -5.173859 4.248689 
1 1 1    7   25   18 o  161.866   2.3172 -1.699188 4.634486 
1 1 1    7   25   19 o  107.702   3.1584 -11.16648 6.316835 
1 1 1    7   25   20 o   38.840   8.1353 -0.6371689E-01 16.27055 
1 1 1    7   25   21 o   83.488   4.6363 9.327950 9.272643 
1 1 1    7   25   22 o   59.126   6.9535 -15.94608 13.90709 
1 1 1    7   25   23 o   81.816   4.7247 -18.81755 9.449471 
1 1 1    7   25   24 o   27.564   8.1342 0.7893276 16.26838 
1 1 1    7   25   25 o   41.387   8.2613 -17.29047 16.52253 
1 1 1    7   25   26 f   26.555   8.0631 14.99667 16.12628 
1 1 1    7   25   27 f   39.065   8.9963 -11.66933 17.99269 
1 1 1    7   25   28 o   37.405   9.4112 13.99675 18.82236 
1 1 1    7   25   29 o   64.376   7.2479 8.647758 14.49571 
1 1 1    7   26    0 o   22.812   14.439 0.000000 0.000000 
1 1 1    7   26    1 o  297.553   2.1738 -0.7743225 4.347563 
1 1 1    7   26    2 o  153.271   2.7639 3.006851 5.527867 
1 1 1    7   26    3 o   99.387   4.0269 11.08414 8.053834 
1 1 1    7   26    4 f  172.571   2.5293 -1.151459 5.058657 
1 1 1    7   26    5 o  299.414   2.5455 2.009399 5.091046 
1 1 1    7   26    6 o  123.127   2.8544 -7.076500 5.708792 
1 1 1    7   26    7 o  123.454   2.8672 -7.540916 5.734321 
1 1 1    7   26    8 o  285.671   2.0418 0.2549438 4.083533 
1 1 1    7   26    9 o  130.855   2.5727 -12.37220 5.145468 
1 1 1    7   26   10 o  259.167   2.0120 -2.094727 4.024041 
1 1 1    7   26   11 o  210.411   2.0226 -4.753250 4.045239 
1 1 1    7   26   12 o   26.218   7.3122 -10.49036 14.62439 
1 1 1    7   26   13 o  155.559   2.2418 0.7089691 4.483552 
1 1 1    7   26   14 o  231.630   2.1291 -3.568146 4.258257 
1 1 1    7   26   15 o  126.110   2.5452 3.304581 5.090370 
1 1 1    7   26   16 o   23.894   7.1859 4.738419 14.37176 
1 1 1    7   26   17 o   62.965   5.1870 -17.21785 10.37398 
1 1 1    7   26   18 o  132.036   2.6414 -9.961746 5.282816 
1 1 1    7   26   19 o  180.346   2.2310 -4.066238 4.461918 
1 1 1    7   26   20 o   54.967   6.4918 15.51824 12.98370 
1 1 1    7   26   21 o   39.367   8.1723 -8.708454 16.34464 
1 1 1    7   26   22 o   23.424   7.3790 -9.266224 14.75798 
1 1 1    7   26   23 o   32.363   8.4801 0.6235733 16.96027 
1 1 1    7   26   24 o   59.603   6.6472 -9.657574 13.29448 
1 1 1    7   26   25 o   74.748   5.2854 -19.15799 10.57087 
1 1 1    7   26   26 o   88.186   5.0658 -19.56789 10.13156 
1 1 1    7   26   27 o   25.995   8.1110 2.024023 16.22203 
1 1 1    7   26   28 o   74.488   7.6750 5.024040 15.34996 
1 1 1    7   27    0 o  328.497   3.4375 0.000000 0.000000 
1 1 1    7   27    1 o  112.114   3.7183 14.10509 7.436628 
1 1 1    7   27    2 o  117.730   3.5763 1.898056 7.152503 
1 1 1    7   27    3 o   33.509   8.8175 -3.045122 17.63492 
1 1 1    7   27    4 o  188.265   2.3889 9.281555 4.777785 
1 1 1    7   27    5 o  160.949   2.5970 -1.360184 5.194000 
1 1 1    7   27    6 o  133.102   2.6404 -4.397568 5.280777 
1 1 1    7   27    7 o   19.618   6.5206 4.517010 13.04122 
1 1 1    7   27    8 f   65.654   4.8866 -2.760460 9.773141 
1 1 1    7   27    9 o   85.640   3.7090 11.19134 7.418076 
1 1 1    7   27   10 o   53.529   5.7492 -1.742523 11.49835 
1 1 1    7   27   11 o   79.226   3.8166 2.574722 7.633137 
1 1 1    7   27   12 o  139.726   2.3314 -4.897247 4.662764 
1 1 1    7   27   13 o  212.746   1.9432 -3.349960 3.886445 
1 1 1    7   27   14 o   66.481   4.4381 0.2576447E-01 8.876183 
1 1 1    7   27   15 f  110.668   3.3492 9.554314 6.698353 
1 1 1    7   27   16 o   71.199   4.3777 -3.429817 8.755414 
1 1 1    7   27   17 o   69.483   4.4875 2.686813 8.974919 
1 1 1    7   27   18 o  227.390   2.3619 7.342545 4.723867 
1 1 1    7   27   19 o   37.329   7.9547 -14.32473 15.90941 
1 1 1    7   27   20 o   51.055   6.8682 14.78866 13.73633 
1 1 1    7   27   21 o   60.933   5.9221 9.366341 11.84421 
1 1 1    7   27   22 o   80.928   4.6262 9.227631 9.252367 
1 1 1    7   27   23 o   61.373   6.4933 -23.40795 12.98664 
1 1 1    7   27   24 o   35.947   8.7374 2.453510 17.47486 
1 1 1    7   27   25 o   47.615   8.4073 10.36059 16.81455 
1 1 1    7   27   26 o   45.372   8.7743 -6.273964 17.54860 
1 1 1    7   27   27 o   66.382   7.0851 -14.16552 14.17029 
1 1 1    7   28    0 o   38.881   11.881 0.000000 0.000000 
1 1 1    7   28    1 o   76.279   5.3397 -18.99460 10.67933 
1 1 1    7   28    2 o  184.542   2.6707 6.074585 5.341436 
1 1 1    7   28    3 o  186.274   2.3708 -8.794250 4.741635 
1 1 1    7   28    4 o   84.476   4.6070 3.987465 9.213969 
1 1 1    7   28    5 o  128.648   3.1865 -9.010811 6.373099 
1 1 1    7   28    6 o   27.357   7.8154 -1.444994 15.63073 
1 1 1    7   28    7 o   75.083   4.5005 -12.32027 9.001013 
1 1 1    7   28    8 o   63.893   4.8215 6.853413 9.642962 
1 1 1    7   28    9 o   58.514   5.1802 2.423115 10.36035 
1 1 1    7   28   10 o   26.390   7.2030 -6.403732 14.40591 
1 1 1    7   28   11 o   96.103   3.0851 3.556831 6.170149 
1 1 1    7   28   12 o  108.363   2.8321 2.711487 5.664284 
1 1 1    7   28   13 o  128.392   2.4821 -11.40113 4.964255 
1 1 1    7   28   14 f  125.869   2.4816 5.896919 4.963291 
1 1 1    7   28   15 o  114.996   2.6981 -4.690514 5.396144 
1 1 1    7   28   16 o   70.753   4.2732 10.74167 8.546457 
1 1 1    7   28   17 o   63.932   5.7419 -3.969746 11.48374 
1 1 1    7   28   18 f   20.173   6.6514 -0.1801510 13.30281 
1 1 1    7   28   19 o   77.921   4.1911 3.673340 8.382200 
1 1 1    7   28   20 o   90.028   3.7908 -2.842834 7.581568 
1 1 1    7   28   21 o   69.983   5.0172 1.356903 10.03435 
1 1 1    7   28   22 o   21.696   7.0995 3.048147 14.19906 
1 1 1    7   28   23 o   51.845   7.4087 -8.275082 14.81749 
1 1 1    7   28   24 o   60.456   6.8277 21.68792 13.65546 
1 1 1    7   28   25 o   64.736   6.4391 -10.18448 12.87815 
1 1 1    7   28   26 f   74.756   6.2697 -11.74928 12.53939 
1 1 1    7   29    0 o   16.966   8.5748 0.000000 0.000000 
1 1 1    7   29    1 o  103.545   3.7536 0.6268005 7.507246 
1 1 1    7   29    2 o   80.396   4.6441 -0.1505432 9.288157 
1 1 1    7   29    3 o   88.069   4.3420 4.808189 8.683966 
1 1 1    7   29    4 o   29.380   8.2489 -5.831772 16.49784 
1 1 1    7   29    5 o   47.338   7.5625 2.248993 15.12502 
1 1 1    7   29    6 o   78.344   4.1076 1.733955 8.215212 
1 1 1    7   29    7 o   50.834   6.6439 -5.123741 13.28786 
1 1 1    7   29    8 o   50.300   6.6337 -25.69921 13.26732 
1 1 1    7   29    9 o   56.310   5.0932 8.665104 10.18637 
1 1 1    7   29   10 o  159.696   2.1131 5.189911 4.226252 
1 1 1    7   29   11 o  227.475   1.9029 -0.9884644 3.805758 
1 1 1    7   29   12 o   19.651   6.3107 -6.086832 12.62145 
1 1 1    7   29   13 o  125.388   2.5063 3.055756 5.012594 
1 1 1    7   29   14 o   68.328   5.4393 -2.246880 10.87864 
1 1 1    7   29   15 o   79.691   4.4806 24.77733 8.961237 
1 1 1    7   29   16 o   50.935   6.3482 21.77538 12.69640 
1 1 1    7   29   17 o   43.832   7.2037 -0.9129257 14.40733 
1 1 1    7   29   18 o   22.355   6.5673 -13.74570 13.13458 
1 1 1    7   29   19 o   61.786   5.1469 5.552128 10.29371 
1 1 1    7   29   20 o   57.569   6.0672 -12.36207 12.13444 
1 1 1    7   29   21 o   50.681   7.0793 -22.38288 14.15852 
1 1 1    7   29   22 o   27.558   8.0330 -3.704239 16.06592 
1 1 1    7   29   23 o   44.296   8.4140 -3.582615 16.82805 
1 1 1    7   29   24 o   29.720   8.3130 -11.86314 16.62591 
1 1 1    7   29   25 o   30.855   8.9409 -7.841820 17.88180 
1 1 1    7   30    0 o  210.010   3.3844 0.000000 0.000000 
1 1 1    7   30    1 o  177.641   2.3471 5.978378 4.694148 
1 1 1    7   30    2 o   46.938   7.6452 -13.30069 15.29047 
1 1 1    7   30    3 o   27.022   7.8807 -5.119392 15.76144 
1 1 1    7   30    4 o   25.883   7.5926 7.202948 15.18517 
1 1 1    7   30    5 o   22.267   7.1132 -3.015125 14.22646 
1 1 1    7   30    6 o   65.824   4.8573 -15.58462 9.714678 
1 1 1    7   30    7 o   71.481   4.5663 0.9899673 9.132565 
1 1 1    7   30    8 o  138.569   2.3515 9.667465 4.702964 
1 1 1    7   30    9 o   51.192   5.9198 -10.86007 11.83951 
1 1 1    7   30   10 o  105.947   2.8895 6.221062 5.778975 
1 1 1    7   30   11 o   24.703   7.1260 -6.127840 14.25202 
1 1 1    7   30   12 o  183.968   2.1956 -4.115280 4.391245 
1 1 1    7   30   13 o  145.876   2.6264 7.224121 5.252734 
1 1 1    7   30   14 o   23.075   6.9545 11.69705 13.90906 
1 1 1    7   30   15 o   98.059   3.2144 -4.357468 6.428745 
1 1 1    7   30   16 o   75.131   4.1870 -1.982872 8.374045 
1 1 1    7   30   17 o   28.334   7.7084 -3.490013 15.41682 
1 1 1    7   30   18 o   50.012   6.5164 -3.831585 13.03284 
1 1 1    7   30   19 o   24.967   7.4291 -0.3425446 14.85817 
1 1 1    7   30   20 o   24.353   7.3027 -6.414684 14.60546 
1 1 1    7   30   21 o   20.220   6.6632 -1.917803 13.32635 
1 1 1    7   30   22 o   32.599   8.3890 -2.986841 16.77805 
1 1 1    7   30   23 o   47.157   8.1296 1.627739 16.25918 
1 1 1    7   30   24 o   71.811   6.4889 -59.25381 12.97786 
1 1 1    7   31    0 o   17.991   8.9307 0.000000 0.000000 
1 1 1    7   31    1 o  109.973   3.2731 9.148468 6.546171 
1 1 1    7   31    2 o   79.448   4.3019 -6.019371 8.603763 
1 1 1    7   31    3 o   20.551   6.7171 -8.589239 13.43421 
1 1 1    7   31    4 o   92.263   4.4131 9.068878 8.826134 
1 1 1    7   31    5 o  107.410   3.1913 0.2506256E-01 6.382679 
1 1 1    7   31    6 o   43.845   6.8378 -16.80116 13.67551 
1 1 1    7   31    7 o  154.154   2.2751 4.061890 4.550225 
1 1 1    7   31    8 f  107.371   2.9075 -2.855415 5.814919 
1 1 1    7   31    9 f   63.585   5.0605 -10.61554 10.12094 
1 1 1    7   31   10 o   73.578   5.0225 -5.847000 10.04496 
1 1 1    7   31   11 o  126.753   2.6012 7.076698 5.202392 
1 1 1    7   31   12 o   64.875   4.9221 11.28803 9.844179 
1 1 1    7   31   13 o  135.316   2.4150 1.134109 4.830094 
1 1 1    7   31   14 o   96.722   3.2206 -0.4035416 6.441288 
1 1 1    7   31   15 o   41.650   7.0419 16.87822 14.08380 
1 1 1    7   31   16 o  104.072   3.0716 -18.64949 6.143109 
1 1 1    7   31   17 o   33.025   7.6182 15.11768 15.23639 
1 1 1    7   31   18 o   23.293   6.9532 -10.32212 13.90645 
1 1 1    7   31   19 o   38.702   7.7584 13.32977 15.51674 
1 1 1    7   31   20 o   56.291   6.1864 -6.460323 12.37290 
1 1 1    7   31   21 o   26.088   7.8258 3.308815 15.65168 
1 1 1    7   31   22 o   75.945   4.8018 2.680862 9.603522 
1 1 1    7   31   23 x  ?   ?       ?      ? 
1 1 1    7   32    0 o  214.211   3.1927 0.000000 0.000000 
1 1 1    7   32    1 o   41.602   7.1617 -27.92814 14.32333 
1 1 1    7   32    2 o   40.726   7.5084 20.98654 15.01679 
1 1 1    7   32    3 o  112.740   3.9915 -1.760101 7.982957 
1 1 1    7   32    4 o   60.670   5.7540 -14.87662 11.50808 
1 1 1    7   32    5 o  177.514   2.6009 0.5393066 5.201715 
1 1 1    7   32    6 o   94.546   4.7250 -8.801254 9.449996 
1 1 1    7   32    7 o  134.014   2.5715 -0.2835236 5.143013 
1 1 1    7   32    8 x  ?   ?       ?      ? 
1 1 1    7   32    9 o  114.877   2.7897 5.452766 5.579370 
1 1 1    7   32   10 o  136.761   2.4431 5.027527 4.886228 
1 1 1    7   32   11 o   48.255   6.2374 9.116199 12.47474 
1 1 1    7   32   12 o   62.914   4.7529 6.982765 9.505845 
1 1 1    7   32   13 o   19.111   6.2426 -6.173595 12.48529 
1 1 1    7   32   14 o   25.617   7.6551 -7.603340 15.31017 
1 1 1    7   32   15 o   19.821   6.4827 6.537220 12.96536 
1 1 1    7   32   16 f   19.881   6.5226 4.891905 13.04519 
1 1 1    7   32   17 o   33.196   7.7340 13.21096 15.46802 
1 1 1    7   32   18 f   28.097   7.6077 -12.53889 15.21537 
1 1 1    7   32   19 o   38.291   7.5831 -22.21589 15.16627 
1 1 1    7   32   20 f   93.083   3.6921 7.231026 7.384201 
1 1 1    7   32   21 o   77.168   4.3920 0.2628632 8.784058 
1 1 1    7   33    0 o   49.104   11.640 0.000000 0.000000 
1 1 1    7   33    1 o   64.009   5.5183 -9.713242 11.03665 
1 1 1    7   33    2 o   27.011   7.9668 -8.486303 15.93365 
1 1 1    7   33    3 o  114.292   3.1171 2.444305 6.234147 
1 1 1    7   33    4 o   25.770   7.7331 0.1941681E-02 15.46628 
1 1 1    7   33    5 o  156.692   2.4163 0.9099426 4.832560 
1 1 1    7   33    6 o   21.117   6.8535 1.480480 13.70705 
1 1 1    7   33    7 o   55.385   6.0522 -9.329239 12.10440 
1 1 1    7   33    8 o   94.208   3.4135 0.5262222 6.826950 
1 1 1    7   33    9 o   51.381   6.1432 4.793488 12.28643 
1 1 1    7   33   10 o   27.123   7.6301 1.079834 15.26024 
1 1 1    7   33   11 o   82.689   3.8157 -14.56701 7.631346 
1 1 1    7   33   12 o   45.416   6.5617 13.36725 13.12348 
1 1 1    7   33   13 o   28.612   7.6257 -4.463619 15.25150 
1 1 1    7   33   14 o   30.838   7.6763 9.451666 15.35255 
1 1 1    7   33   15 f   34.471   7.7836 10.87034 15.56715 
1 1 1    7   33   16 o   33.321   8.0738 5.145863 16.14758 
1 1 1    7   33   17 o   28.523   7.8776 -7.410254 15.75529 
1 1 1    7   33   18 o   58.121   6.0561 4.962868 12.11220 
1 1 1    7   33   19 o   88.190   3.7372 -0.5369568E-01 7.474372 
1 1 1    7   34    0 o   25.530   10.607 0.000000 0.000000 
1 1 1    7   34    1 o   51.624   7.3084 3.766830 14.61680 
1 1 1    7   34    2 o   51.734   7.1799 28.23558 14.35976 
1 1 1    7   34    3 o   30.203   8.3747 20.29600 16.74931 
1 1 1    7   34    4 o   53.064   6.8190 -7.787502 13.63804 
1 1 1    7   34    5 o   23.173   7.3067 -1.532120 14.61348 
1 1 1    7   34    6 o   88.408   3.8709 -7.638771 7.741740 
1 1 1    7   34    7 o   86.305   6.5859 -98.39925 13.17173 
1 1 1    7   34    8 o   51.114   6.6019 20.01320 13.20376 
1 1 1    7   34    9 o   35.253   7.8212 9.489307 15.64242 
1 1 1    7   34   10 o   73.208   4.4091 11.70167 8.818247 
1 1 1    7   34   11 o   38.502   7.6088 11.53982 15.21769 
1 1 1    7   34   12 o   61.886   5.0158 2.220181 10.03161 
1 1 1    7   34   13 o   32.909   7.9740 -0.2136612 15.94809 
1 1 1    7   34   14 o   55.745   6.1568 -13.45493 12.31355 
1 1 1    7   34   15 o   83.909   4.0537 -1.908966 8.107343 
1 1 1    7   34   16 o   26.284   7.6333 12.15144 15.26656 
1 1 1    7   34   17 o   93.225   3.8242 1.396111 7.648468 
1 1 1    7   34   18 x  ?   ?       ?      ? 
1 1 1    7   35    0 o   78.643   7.5528 0.000000 0.000000 
1 1 1    7   35    1 o   51.102   7.1537 -17.33285 14.30731 
1 1 1    7   35    2 o  108.647   3.5339 5.644142 7.067805 
1 1 1    7   35    3 o   51.555   7.2129 -12.31755 14.42582 
1 1 1    7   35    4 o   81.494   5.3515 -7.336464 10.70304 
1 1 1    7   35    5 o   52.200   6.8967 -6.028828 13.79339 
1 1 1    7   35    6 o   75.032   4.7084 0.8283768 9.416865 
1 1 1    7   35    7 o   82.858   4.0679 -2.291634 8.135853 
1 1 1    7   35    8 o   75.188   4.5044 -1.822433 9.008877 
1 1 1    7   35    9 o  127.437   2.7761 -3.792130 5.552293 
1 1 1    7   35   10 o   29.430   7.8736 -5.305405 15.74717 
1 1 1    7   35   11 o   54.419   6.3718 -12.51965 12.74354 
1 1 1    7   35   12 o   36.131   7.2285 25.55279 14.45704 
1 1 1    7   35   13 o   21.134   6.8467 4.095181 13.69349 
1 1 1    7   35   14 o   30.529   7.7371 -7.178036 15.47419 
1 1 1    7   35   15 f   23.727   7.3742 6.433926 14.74847 
1 1 1    7   36    0 o   67.812   8.3664 0.000000 0.000000 
1 1 1    7   36    1 o   26.625   7.8421 -5.367678 15.68417 
1 1 1    7   36    2 o   78.758   4.6148 5.045662 9.229534 
1 1 1    7   36    3 o   20.091   6.7448 -1.052149 13.48954 
1 1 1    7   36    4 o   29.767   8.1856 -7.676340 16.37122 
1 1 1    7   36    5 o   59.334   7.2705 18.76398 14.54097 
1 1 1    7   36    6 o   23.419   7.3969 -1.071684 14.79373 
1 1 1    7   36    7 o   16.526   5.7560 0.4335861 11.51210 
1 1 1    7   36    8 o   94.405   3.7709 2.234169 7.541766 
1 1 1    7   36    9 o   28.703   7.9356 4.584948 15.87125 
1 1 1    7   36   10 o   35.028   8.2087 6.392578 16.41738 
1 1 1    7   36   11 o   30.931   8.0833 3.190002 16.16665 
1 1 1    7   36   12 o   23.689   7.3602 9.680912 14.72044 
1 1 1    7   36   13 o   25.926   7.7640 9.684340 15.52805 
1 1 1    7   37    0 o   17.952   8.9095 0.000000 0.000000 
1 1 1    7   37    1 o   39.407   7.3745 -28.76682 14.74897 
1 1 1    7   37    2 o   56.174   6.3320 0.8245125 12.66395 
1 1 1    7   37    3 o   24.654   7.6439 -0.2693405 15.28780 
1 1 1    7   37    4 o   55.877   6.8571 -18.96167 13.71415 
1 1 1    7   37    5 o   33.907   8.8721 -9.745354 17.74416 
1 1 1    7   37    6 o   67.842   5.8816 1.301842 11.76311 
1 1 1    7   37    7 o   79.506   4.5889 -10.40980 9.177785 
1 1 1    7   37    8 f   23.888   7.3178 -2.903175 14.63569 
1 1 1    7   37    9 o   25.320   7.5952 -2.409733 15.19050 
1 1 1    7   37   10 x  ?   ?       ?      ? 
1 1 1    7   38    0 o   42.974   12.075 0.000000 0.000000 
1 1 1    7   38    1 o   32.064   8.3578 -4.851490 16.71560 
1 1 1    7   38    2 o   50.783   7.1238 -5.165276 14.24758 
1 1 1    7   38    3 o   32.259   7.6681 25.51497 15.33626 
1 1 1    7   38    4 x  ?   ?       ?      ? 
1 1 1    8    0    0 o  354.922   3.7557 0.000000 0.000000 
1 1 1    8    0    1 o   34.165   3.3459 0.000000 0.000000 
1 1 1    8    0    2 o   65.026   1.7663 0.000000 0.000000 
1 1 1    8    0    3 o   90.260   1.4946 0.000000 0.000000 
1 1 1    8    0    4 o   23.320   5.8539 0.000000 0.000000 
1 1 1    8    0    5 f  287.537   2.2141 0.000000 0.000000 
1 1 1    8    0    6 o  144.994   1.5757 0.000000 0.000000 
1 1 1    8    0    7 o  409.453   3.0808 0.000000 0.000000 
1 1 1    8    0    8 o   20.278   7.0383 0.000000 0.000000 
1 1 1    8    0    9 o  125.158   2.6595 0.000000 0.000000 
1 1 1    8    0   10 o  350.290   2.7031 0.000000 0.000000 
1 1 1    8    0   11 o  320.035   2.5190 0.000000 0.000000 
1 1 1    8    0   12 o   42.708   6.3983 0.000000 0.000000 
1 1 1    8    0   13 o   34.122   7.0788 0.000000 0.000000 
1 1 1    8    0   14 o   19.805   8.2728 0.000000 0.000000 
1 1 1    8    0   15 o   33.018   9.8797 0.000000 0.000000 
1 1 1    8    0   16 o  601.816   5.5512 0.000000 0.000000 
1 1 1    8    0   17 o  421.568   3.7955 0.000000 0.000000 
1 1 1    8    0   18 o  630.060   5.4874 0.000000 0.000000 
1 1 1    8    0   19 o   44.241   12.270 0.000000 0.000000 
1 1 1    8    0   20 f  372.438   3.5677 0.000000 0.000000 
1 1 1    8    0   21 o  178.000   4.3086 0.000000 0.000000 
1 1 1    8    0   22 o  213.189   4.7479 0.000000 0.000000 
1 1 1    8    0   23 o   98.255   9.5916 0.000000 0.000000 
1 1 1    8    0   24 o  158.278   5.2436 0.000000 0.000000 
1 1 1    8    0   25 o  199.354   6.6007 0.000000 0.000000 
1 1 1    8    0   26 o  334.342   3.7428 0.000000 0.000000 
1 1 1    8    0   27 o  131.617   6.8343 0.000000 0.000000 
1 1 1    8    0   28 o   21.721   10.795 0.000000 0.000000 
1 1 1    8    0   29 o   92.937   9.1062 0.000000 0.000000 
1 1 1    8    0   30 o  214.206   4.1622 0.000000 0.000000 
1 1 1    8    0   31 o   70.165   13.628 0.000000 0.000000 
1 1 1    8    0   32 o  123.771   6.7685 0.000000 0.000000 
1 1 1    8    0   33 o  160.432   9.7635 0.000000 0.000000 
1 1 1    8    0   34 o   33.123   13.763 0.000000 0.000000 
1 1 1    8    0   35 o   23.552   11.110 0.000000 0.000000 
1 1 1    8    0   36 o   30.518   12.991 0.000000 0.000000 
1 1 1    8    0   37 o   54.023   12.365 0.000000 0.000000 
1 1 1    8    0   38 o   32.869   13.778 0.000000 0.000000 
1 1 1    8    0   39 o   36.421   12.477 0.000000 0.000000 
1 1 1    8    1    0 o  139.126   1.3135 0.000000 0.000000 
1 1 1    8    1    1 o  153.533   0.9686 5.416397 1.937197 
1 1 1    8    1    2 o  369.975   1.9553 -4.528595 3.910639 
1 1 1    8    1    3 o  593.131   3.1064 8.015808 6.212840 
1 1 1    8    1    4 o  204.839   1.2810 -0.8514862 2.562048 
1 1 1    8    1    5 o  314.531   1.6930 -3.456543 3.385971 
1 1 1    8    1    6 o  165.038   1.1206 -0.8030090 2.241296 
1 1 1    8    1    7 f  410.009   2.1799 2.106964 4.359770 
1 1 1    8    1    8 o  255.622   1.4612 0.3224640 2.922333 
1 1 1    8    1    9 o  178.933   1.2542 -3.764786 2.508481 
1 1 1    8    1   10 o  341.047   1.8658 -0.3850098 3.731530 
1 1 1    8    1   11 o  370.511   2.0123 -2.337372 4.024553 
1 1 1    8    1   12 o  236.048   1.5929 2.784164 3.185884 
1 1 1    8    1   13 o   65.322   3.0518 6.197491 6.103603 
1 1 1    8    1   14 o  113.425   1.9315 5.540199 3.863018 
1 1 1    8    1   15 o  500.887   2.6906 3.428101 5.381240 
1 1 1    8    1   16 o  246.154   1.7181 -0.8164063 3.436206 
1 1 1    8    1   17 o  109.416   2.5710 2.689995 5.142036 
1 1 1    8    1   18 o  106.874   2.8533 2.144562 5.706694 
1 1 1    8    1   19 o  523.336   3.0718 -1.581360 6.143565 
1 1 1    8    1   20 o  290.630   2.2045 2.037933 4.408940 
1 1 1    8    1   21 o  185.477   2.7085 -2.225540 5.416922 
1 1 1    8    1   22 o  344.627   2.8812 -8.800812 5.762424 
1 1 1    8    1   23 o  306.813   2.5180 -2.592224 5.035959 
1 1 1    8    1   24 o  315.756   2.5701 -3.000122 5.140124 
1 1 1    8    1   25 o  179.451   4.6370 -3.145401 9.274004 
1 1 1    8    1   26 o  134.574   4.5362 -3.380005 9.072362 
1 1 1    8    1   27 o   47.608   11.211 1.496216 22.42132 
1 1 1    8    1   28 o   80.145   8.0367 -17.15041 16.07344 
1 1 1    8    1   29 o  134.768   4.5968 -16.21900 9.193645 
1 1 1    8    1   30 o  138.303   4.2137 -8.885239 8.427320 
1 1 1    8    1   31 o   43.606   10.264 15.32048 20.52798 
1 1 1    8    1   32 o   42.477   10.450 8.219963 20.89999 
1 1 1    8    1   33 o  117.727   5.9871 13.44034 11.97415 
1 1 1    8    1   34 o   31.067   9.4280 3.666218 18.85600 
1 1 1    8    1   35 o   63.306   9.0522 5.426525 18.10434 
1 1 1    8    1   36 o   64.155   8.8765 -3.694523 17.75306 
1 1 1    8    1   37 o   59.387   9.5083 8.011700 19.01670 
1 1 1    8    1   38 o   42.943   10.445 2.074635 20.89020 
1 1 1    8    1   39 o   19.584   6.7609 2.638704 13.52185 
1 1 1    8    2    0 o   45.314   2.3827 0.000000 0.000000 
1 1 1    8    2    1 o  188.167   1.0915 -2.458466 2.182978 
1 1 1    8    2    2 o  244.280   1.3374 5.143616 2.674801 
1 1 1    8    2    3 o  273.465   1.4814 -0.4446106 2.962708 
1 1 1    8    2    4 o  393.589   2.0830 4.235962 4.166011 
1 1 1    8    2    5 o  344.497   1.8419 2.059174 3.683830 
1 1 1    8    2    6 o  246.582   1.3969 -5.483200 2.793737 
1 1 1    8    2    7 o  366.635   1.9642 -0.3105164 3.928353 
1 1 1    8    2    8 o  116.603   1.5231 3.148392 3.046195 
1 1 1    8    2    9 o  182.921   1.8130 36.45479 3.625907 
1 1 1    8    2   10 o  609.715   3.2104 -1.997864 6.420717 
1 1 1    8    2   11 o  161.516   1.3467 -0.1257782 2.693367 
1 1 1    8    2   12 f  265.746   1.9272 1.453247 3.854494 
1 1 1    8    2   13 o  117.663   1.7813 2.554337 3.562537 
1 1 1    8    2   14 o  139.519   1.7359 -1.815750 3.471895 
1 1 1    8    2   15 f  154.598   1.7378 4.398926 3.475627 
1 1 1    8    2   16 o  157.882   1.8092 3.766342 3.618317 
1 1 1    8    2   17 o   98.655   3.0273 -3.637749 6.054677 
1 1 1    8    2   18 o  296.264   1.9283 3.342529 3.856517 
1 1 1    8    2   19 f  539.790   3.1654 1.073120 6.330790 
1 1 1    8    2   20 o  165.040   2.5845 -8.440659 5.168972 
1 1 1    8    2   21 o  293.119   2.5198 -8.384674 5.039590 
1 1 1    8    2   22 o  430.379   2.8021 -6.663025 5.604144 
1 1 1    8    2   23 o  264.838   3.3204 -1.983398 6.640860 
1 1 1    8    2   24 o   87.267   6.4439 2.309532 12.88788 
1 1 1    8    2   25 o  329.994   2.8157 1.992218 5.631494 
1 1 1    8    2   26 o  311.297   2.6417 4.037140 5.283420 
1 1 1    8    2   27 o  149.903   4.1358 -7.590576 8.271529 
1 1 1    8    2   28 o   66.759   9.3793 8.030838 18.75868 
1 1 1    8    2   29 o   87.217   7.6463 3.592117 15.29264 
1 1 1    8    2   30 o  243.365   2.8118 -1.736740 5.623552 
1 1 1    8    2   31 o   57.597   9.6255 -14.57073 19.25107 
1 1 1    8    2   32 o   29.856   9.3006 -5.479233 18.60119 
1 1 1    8    2   33 o  132.206   5.1448 36.63256 10.28963 
1 1 1    8    2   34 o   40.961   10.215 -0.6589279 20.43086 
1 1 1    8    2   35 o   45.720   10.493 3.378212 20.98578 
1 1 1    8    2   36 o   27.709   8.8095 10.51223 17.61908 
1 1 1    8    2   37 o   49.501   10.380 0.9389076 20.75968 
1 1 1    8    2   38 o   40.990   9.8638 11.64016 19.72751 
1 1 1    8    2   39 x  ?   ?       ?      ? 
1 1 1    8    3    0 o  159.465   1.7481 0.000000 0.000000 
1 1 1    8    3    1 o  269.162   1.4535 2.270905 2.907080 
1 1 1    8    3    2 o  264.960   1.4381 1.328369 2.876244 
1 1 1    8    3    3 o  515.195   2.7043 -3.651306 5.408623 
1 1 1    8    3    4 o  523.516   2.7494 3.987122 5.498743 
1 1 1    8    3    5 o  844.331   4.4166 -3.995422 8.833146 
1 1 1    8    3    6 o  295.521   1.6143 -3.487488 3.228630 
1 1 1    8    3    7 o  237.032   1.3759 -1.180756 2.751825 
1 1 1    8    3    8 o  333.644   1.8148 -1.924347 3.629596 
1 1 1    8    3    9 o  564.227   2.9753 -0.6799316 5.950686 
1 1 1    8    3   10 o  492.488   2.6105 3.430115 5.220961 
1 1 1    8    3   11 o  263.407   1.6660 -4.023438 3.332007 
1 1 1    8    3   12 o  205.544   1.7009 2.825684 3.401827 
1 1 1    8    3   13 o   88.062   2.3148 5.689751 4.629651 
1 1 1    8    3   14 o  445.673   3.1032 -4.518707 6.206473 
1 1 1    8    3   15 f  100.249   2.3977 4.450348 4.795307 
1 1 1    8    3   16 o  357.859   2.0605 8.337494 4.121067 
1 1 1    8    3   17 o  450.534   2.4819 -1.547882 4.963743 
1 1 1    8    3   18 o  251.410   2.0438 -6.542877 4.087505 
1 1 1    8    3   19 o  183.598   2.2473 -4.557999 4.494661 
1 1 1    8    3   20 o  137.181   3.1466 -10.27774 6.293299 
1 1 1    8    3   21 o  578.997   3.2820 -1.544006 6.563960 
1 1 1    8    3   22 o  101.268   5.4878 -27.54838 10.97567 
1 1 1    8    3   23 o  247.857   4.0627      ?      ? 
1 1 1    8    3   24 o  317.524   2.4630 -1.412201 4.926062 
1 1 1    8    3   25 o  469.630   3.0516 -3.754425 6.103181 
1 1 1    8    3   26 o  148.150   4.2036 8.060104 8.407283 
1 1 1    8    3   27 o  146.311   4.3690 -4.666458 8.737917 
1 1 1    8    3   28 o   91.450   6.6365 -8.086502 13.27306 
1 1 1    8    3   29 o  191.072   3.4280 2.175110 6.855958 
1 1 1    8    3   30 o  111.286   5.3486 -8.039337 10.69712 
1 1 1    8    3   31 o   92.814   6.3557 -0.9547119 12.71144 
1 1 1    8    3   32 o   97.467   5.7437 -0.5334473 11.48734 
1 1 1    8    3   33 o   44.723   10.473 -3.664673 20.94550 
1 1 1    8    3   34 o   31.246   8.9487 19.24196 17.89736 
1 1 1    8    3   35 o   29.138   9.1595 1.125263 18.31891 
1 1 1    8    3   36 o   32.974   9.8130 -2.747133 19.62592 
1 1 1    8    3   37 o   77.493   7.0571 4.074020 14.11412 
1 1 1    8    3   38 o   30.478   8.9227 -12.26977 17.84542 
1 1 1    8    3   39 x  ?   ?       ?      ? 
1 1 1    8    4    0 o  159.374   1.4109 0.000000 0.000000 
1 1 1    8    4    1 o  341.489   1.8130 1.680511 3.626037 
1 1 1    8    4    2 o  382.814   2.0241 0.5780029 4.048234 
1 1 1    8    4    3 o  205.566   1.2759 1.960541 2.551873 
1 1 1    8    4    4 o  695.974   3.6446 2.901123 7.289204 
1 1 1    8    4    5 o  217.280   1.3505 -6.473282 2.701074 
1 1 1    8    4    6 o  447.142   2.3640 -1.284393 4.727969 
1 1 1    8    4    7 o  461.762   2.4436 -4.653564 4.887118 
1 1 1    8    4    8 f  349.600   1.8932 1.780060 3.786489 
1 1 1    8    4    9 o  577.362   3.0423 -2.401611 6.084543 
1 1 1    8    4   10 o   79.578   1.9248 -3.652176 3.849592 
1 1 1    8    4   11 o  403.279   2.2500 -0.6312256 4.499962 
1 1 1    8    4   12 o   34.539   6.0143 1.574444 12.02856 
1 1 1    8    4   13 o  194.911   1.7139 3.636627 3.427839 
1 1 1    8    4   14 o   52.420   3.8713 -1.040131 7.742577 
1 1 1    8    4   15 o  562.877   3.0043 -7.239502 6.008524 
1 1 1    8    4   16 o  345.006   2.1708 -5.642883 4.341555 
1 1 1    8    4   17 o  142.310   2.3765 -5.619583 4.752933 
1 1 1    8    4   18 o  384.457   2.6354 1.744904 5.270712 
1 1 1    8    4   19 o  363.873   2.3659 -0.3485413 4.731729 
1 1 1    8    4   20 o  365.194   2.3239 3.074890 4.647816 
1 1 1    8    4   21 o  397.308   2.5356 -10.24747 5.071147 
1 1 1    8    4   22 o   28.211   8.7697 -1.620098 17.53935 
1 1 1    8    4   23 f  198.495   3.5539 -5.513138 7.107704 
1 1 1    8    4   24 o  107.535   5.4526 -3.316200 10.90515 
1 1 1    8    4   25 o  122.554   4.7998 -13.71592 9.599689 
1 1 1    8    4   26 o  194.851   3.3553 3.436996 6.710641 
1 1 1    8    4   27 o  138.487   4.5667 -1.006638 9.133389 
1 1 1    8    4   28 f  173.077   3.6932 -6.119537 7.386342 
1 1 1    8    4   29 o  121.154   4.9483 -1.356453 9.896652 
1 1 1    8    4   30 o   90.948   6.1815 -7.006729 12.36291 
1 1 1    8    4   31 o  108.107   5.7397 8.244308 11.47943 
1 1 1    8    4   32 o  129.337   4.3948 -6.074051 8.789614 
1 1 1    8    4   33 o  129.821   4.4604 -4.005966 8.920734 
1 1 1    8    4   34 o   47.279   9.9757 -13.83169 19.95131 
1 1 1    8    4   35 o   39.282   9.7134 19.08675 19.42689 
1 1 1    8    4   36 o   37.419   10.252 1.079338 20.50380 
1 1 1    8    4   37 o   26.553   8.6886 -2.315023 17.37710 
1 1 1    8    4   38 o   86.168   6.0854 -12.76932 12.17081 
1 1 1    8    5    0 o   97.751   1.4262 0.000000 0.000000 
1 1 1    8    5    1 o  506.876   2.6616 -0.6867371 5.323114 
1 1 1    8    5    2 o  327.886   1.7508 1.774933 3.501504 
1 1 1    8    5    3 o  439.633   2.3180 3.549683 4.635977 
1 1 1    8    5    4 o  435.626   2.3010 -2.365051 4.602046 
1 1 1    8    5    5 o  222.070   1.6739 4.807861 3.347754 
1 1 1    8    5    6 o  436.221   2.3122 2.007202 4.624345 
1 1 1    8    5    7 o  472.854   2.5014 -0.6774902 5.002768 
1 1 1    8    5    8 o  434.802   2.3127 -0.2403564 4.625399 
1 1 1    8    5    9 o  386.757   2.0805 0.2886658 4.160930 
1 1 1    8    5   10 o  335.341   1.9098 0.6836853 3.819646 
1 1 1    8    5   11 o  467.041   2.5752 0.8833008 5.150494 
1 1 1    8    5   12 o  106.178   1.9745 4.885437 3.949007 
1 1 1    8    5   13 o  226.592   1.5492 0.4761047 3.098424 
1 1 1    8    5   14 o  349.432   2.3362 1.350189 4.672492 
1 1 1    8    5   15 o  417.303   2.3018 1.982635 4.603632 
1 1 1    8    5   16 o  340.511   2.5961 -3.714233 5.192110 
1 1 1    8    5   17 o  193.978   1.9596 -0.5818787 3.919141 
1 1 1    8    5   18 o  140.499   2.5746 2.718201 5.149195 
1 1 1    8    5   19 o   65.018   5.5915 -0.7336578 11.18291 
1 1 1    8    5   20 o  236.325   2.1833 -5.204239 4.366515 
1 1 1    8    5   21 x  ?   ?       ?      ? 
1 1 1    8    5   22 o  131.085   4.1948 9.987770 8.389649 
1 1 1    8    5   23 o  210.265   3.2260 -4.180176 6.451905 
1 1 1    8    5   24 o  202.751   3.2540 -15.78828 6.507998 
1 1 1    8    5   25 o   86.397   6.8078 2.450386 13.61552 
1 1 1    8    5   26 o  338.445   2.6051 -5.298126 5.210297 
1 1 1    8    5   27 o  165.001   3.6622 2.966446 7.324438 
1 1 1    8    5   28 o  141.165   4.2295 7.356201 8.458902 
1 1 1    8    5   29 o  140.989   4.4696 6.234619 8.939124 
1 1 1    8    5   30 o  189.822   3.2449 -4.987137 6.489813 
1 1 1    8    5   31 o  177.625   3.2694 -4.168350 6.538727 
1 1 1    8    5   32 o   91.100   6.0740 1.992134 12.14793 
1 1 1    8    5   33 o   25.575   8.4761 -1.006048 16.95228 
1 1 1    8    5   34 o   63.607   8.6765 10.14336 17.35310 
1 1 1    8    5   35 o   42.543   10.858 6.765697 21.71634 
1 1 1    8    5   36 f   26.622   8.5813 -7.268368 17.16260 
1 1 1    8    5   37 o   37.587   9.8360 19.07742 19.67209 
1 1 1    8    5   38 o   44.061   9.0918 -18.19014 18.18364 
1 1 1    8    6    0 o   22.653   5.5698 0.000000 0.000000 
1 1 1    8    6    1 o  350.165   1.8627 -3.654083 3.725385 
1 1 1    8    6    2 o  230.141   1.2936 0.5906525 2.587258 
1 1 1    8    6    3 o  430.370   2.2734 1.119263 4.546831 
1 1 1    8    6    4 o  234.128   1.3260 -0.5623627 2.651991 
1 1 1    8    6    5 o  669.213   3.5111 -3.516296 7.022125 
1 1 1    8    6    6 o  517.641   2.7295 2.344727 5.458915 
1 1 1    8    6    7 o  428.670   2.2793 -1.970947 4.558516 
1 1 1    8    6    8 o   91.842   1.5838 1.681732 3.167542 
1 1 1    8    6    9 o  309.095   1.7160 0.6253662 3.432071 
1 1 1    8    6   10 o  228.165   1.4829 0.5481873 2.965839 
1 1 1    8    6   11 o  267.219   1.8413 -0.4409790E-01 3.682544 
1 1 1    8    6   12 o  185.336   1.4736 0.2916718 2.947136 
1 1 1    8    6   13 o  654.435   3.5664 0.6049194 7.132816 
1 1 1    8    6   14 o  256.855   2.3422 -2.103455 4.684416 
1 1 1    8    6   15 o  457.625   2.5526 -5.289642 5.105271 
1 1 1    8    6   16 o  201.078   1.8584 -4.851898 3.716730 
1 1 1    8    6   17 o  189.385   2.0231 -3.127075 4.046165 
1 1 1    8    6   18 o  223.982   2.0028 -3.422913 4.005613 
1 1 1    8    6   19 o  474.100   2.7243 1.368652 5.448593 
1 1 1    8    6   20 o  298.332   2.3002 2.434021 4.600451 
1 1 1    8    6   21 o  145.578   3.5008 -19.46954 7.001623 
1 1 1    8    6   22 f  209.459   2.9107 -4.593445 5.821395 
1 1 1    8    6   23 o  171.773   3.2684 -11.63062 6.536860 
1 1 1    8    6   24 o  241.848   3.6475 3.547775 7.294976 
1 1 1    8    6   25 o  222.442   2.8346 -1.139954 5.669271 
1 1 1    8    6   26 f  104.977   6.1545 -23.04593 12.30910 
1 1 1    8    6   27 o  222.830   2.9334 12.25320 5.866717 
1 1 1    8    6   28 o  149.592   3.9890 -6.212479 7.977917 
1 1 1    8    6   29 o  140.684   3.9527 -7.610214 7.905427 
1 1 1    8    6   30 o   37.229   10.114 0.2313881 20.22870 
1 1 1    8    6   31 o   65.306   8.8884 -13.44865 17.77674 
1 1 1    8    6   32 o   60.025   9.3363 -14.90257 18.67262 
1 1 1    8    6   33 o   84.530   6.5231 5.437500 13.04613 
1 1 1    8    6   34 o   33.862   9.7573 -6.327585 19.51463 
1 1 1    8    6   35 o   33.493   9.7030 -11.92515 19.40601 
1 1 1    8    6   36 o   39.675   10.445 -0.3421211 20.88986 
1 1 1    8    6   37 o   85.962   6.6304 -20.39261 13.26074 
1 1 1    8    6   38 f   48.729   9.1198 12.95694 18.23957 
1 1 1    8    7    0 o  231.756   1.8471 0.000000 0.000000 
1 1 1    8    7    1 o  245.331   1.3638 -0.5708160 2.727556 
1 1 1    8    7    2 o  348.526   1.8600 -0.8309937 3.720069 
1 1 1    8    7    3 o  126.015   1.0359 -3.646591 2.071848 
1 1 1    8    7    4 o  580.743   3.0534 0.5520630 6.106825 
1 1 1    8    7    5 o  272.172   1.5117 0.3791809 3.023402 
1 1 1    8    7    6 o  446.571   2.3691 -1.128723 4.738294 
1 1 1    8    7    7 o  162.576   1.1880 3.346695 2.375921 
1 1 1    8    7    8 o  814.616   4.2751 -1.037659 8.550269 
1 1 1    8    7    9 o  217.158   1.6795 0.4967651 3.358903 
1 1 1    8    7   10 o  174.619   1.4076 3.515793 2.815254 
1 1 1    8    7   11 o  522.909   2.9985 -1.979614 5.997016 
1 1 1    8    7   12 o  262.518   1.8592 -0.3612366 3.718336 
1 1 1    8    7   13 o  157.098   1.7815 -6.873108 3.563096 
1 1 1    8    7   14 o  110.805   2.0947 4.793480 4.189456 
1 1 1    8    7   15 o  493.027   2.6629 8.793854 5.325835 
1 1 1    8    7   16 o  225.188   1.9229 -0.2243500 3.845779 
1 1 1    8    7   17 o  706.498   3.8721 1.471069 7.744117 
1 1 1    8    7   18 o  235.394   2.0903 2.007843 4.180545 
1 1 1    8    7   19 o  370.104   2.3049 -2.424194 4.609840 
1 1 1    8    7   20 o  124.444   4.7124 -22.56641 9.424729 
1 1 1    8    7   21 o  141.475   3.4901 5.617172 6.980248 
1 1 1    8    7   22 o  566.305   3.2447 9.763489 6.489408 
1 1 1    8    7   23 o  268.440   2.6189 1.086365 5.237827 
1 1 1    8    7   24 o  339.556   2.7373 -0.3558960 5.474549 
1 1 1    8    7   25 o  296.643   2.5754 -2.509674 5.150744 
1 1 1    8    7   26 o   30.339   9.2150 9.684580 18.42996 
1 1 1    8    7   27 o  133.646   4.3207 -14.55129 8.641328 
1 1 1    8    7   28 o   64.011   8.9538 -8.389740 17.90760 
1 1 1    8    7   29 o   26.520   8.6406 3.818657 17.28115 
1 1 1    8    7   30 o   73.814   6.9651 -2.024078 13.93019 
1 1 1    8    7   31 o   51.267   9.6106 -7.697739 19.22114 
1 1 1    8    7   32 f  110.790   5.0687 15.90816 10.13742 
1 1 1    8    7   33 o   93.765   5.9806 7.862198 11.96128 
1 1 1    8    7   34 o   39.020   10.549 0.8081398 21.09809 
1 1 1    8    7   35 o   57.977   9.6918 -16.30647 19.38367 
1 1 1    8    7   36 o   82.565   6.8710 18.81171 13.74192 
1 1 1    8    7   37 o   94.470   5.7311 -5.053116 11.46220 
1 1 1    8    7   38 o   23.579   7.8105 10.24325 15.62104 
1 1 1    8    8    0 o  226.516   1.8230 0.000000 0.000000 
1 1 1    8    8    1 o  347.831   1.8592 -0.4670105 3.718457 
1 1 1    8    8    2 f  436.551   2.3088 2.610016 4.617672 
1 1 1    8    8    3 o  431.432   2.2864 -2.084991 4.572881 
1 1 1    8    8    4 o  287.190   1.5801 3.463318 3.160178 
1 1 1    8    8    5 o  688.072   3.6191 7.485474 7.238195 
1 1 1    8    8    6 o  160.903   1.2222 1.868561 2.444447 
1 1 1    8    8    7 o  344.348   1.8704 -0.2993774 3.740765 
1 1 1    8    8    8 o  202.556   1.3744 2.019516 2.748885 
1 1 1    8    8    9 o  343.159   2.2315 -0.1129150E-01 4.462992 
1 1 1    8    8   10 o  409.214   2.5554 -6.369476 5.110725 
1 1 1    8    8   11 o   76.177   2.3519 5.452431 4.703713 
1 1 1    8    8   12 o  154.776   1.6138 1.322968 3.227650 
1 1 1    8    8   13 o  386.974   2.4565 -5.820587 4.912994 
1 1 1    8    8   14 o  317.983   2.0100 -1.696503 4.019913 
1 1 1    8    8   15 o  140.932   2.8859 12.12450 5.771762 
1 1 1    8    8   16 o  167.587   2.2111 5.604904 4.422135 
1 1 1    8    8   17 o  414.263   2.4333 -3.131989 4.866531 
1 1 1    8    8   18 o  436.419   2.5393 1.546661 5.078685 
1 1 1    8    8   19 o   31.764   8.4919 5.387911 16.98388 
1 1 1    8    8   20 o  287.196   3.2253 44.60709 6.450633 
1 1 1    8    8   21 o  436.220   2.7944 0.4015503 5.588746 
1 1 1    8    8   22 o  338.626   2.4732 -12.33713 4.946353 
1 1 1    8    8   23 o   77.389   7.6227 -44.83689 15.24539 
1 1 1    8    8   24 o  115.211   5.3432 2.943382 10.68646 
1 1 1    8    8   25 o   45.546   10.559 3.948566 21.11750 
1 1 1    8    8   26 o  105.567   5.4853 -2.187660 10.97069 
1 1 1    8    8   27 o   92.709   5.9083 -2.150887 11.81669 
1 1 1    8    8   28 o   95.783   5.9161 14.48027 11.83229 
1 1 1    8    8   29 o   47.396   10.008 -8.823311 20.01542 
1 1 1    8    8   30 o  197.642   2.9257 -1.962708 5.851305 
1 1 1    8    8   31 o   69.926   7.3901 -3.710381 14.78023 
1 1 1    8    8   32 o  148.446   5.8301      ?      ? 
1 1 1    8    8   33 o  127.457   4.1940 -5.657631 8.387914 
1 1 1    8    8   34 o  101.894   5.1073 2.581429 10.21468 
1 1 1    8    8   35 o   68.322   7.7602 -15.31029 15.52034 
1 1 1    8    8   36 o   42.884   10.343 -11.74692 20.68659 
1 1 1    8    8   37 o   29.212   9.1699 5.279984 18.33970 
1 1 1    8    8   38 o   42.339   9.9335 0.4281616E-01 19.86698 
1 1 1    8    9    0 o  196.768   2.0760 0.000000 0.000000 
1 1 1    8    9    1 o  161.264   1.5058 -0.7119141 3.011611 
1 1 1    8    9    2 f  180.393   1.1531 1.615097 2.306262 
1 1 1    8    9    3 o  231.612   1.3368 2.690933 2.673576 
1 1 1    8    9    4 f  372.501   1.9986 -2.102051 3.997219 
1 1 1    8    9    5 o  383.161   2.0582 4.401733 4.116496 
1 1 1    8    9    6 o  380.546   2.0503 3.165009 4.100690 
1 1 1    8    9    7 o  562.515   3.2089 -4.968872 6.417869 
1 1 1    8    9    8 o  105.528   2.7064      ?      ? 
1 1 1    8    9    9 o  211.389   1.7810 8.294205 3.561929 
1 1 1    8    9   10 o  393.120   2.3046 0.9941406 4.609126 
1 1 1    8    9   11 o  208.220   1.7967 2.017410 3.593311 
1 1 1    8    9   12 o  341.264   1.9870 5.242584 3.973905 
1 1 1    8    9   13 o  198.577   1.6137 -0.1174469 3.227437 
1 1 1    8    9   14 o  177.633   1.8572 -1.241592 3.714393 
1 1 1    8    9   15 o  419.252   2.3339 4.858154 4.667803 
1 1 1    8    9   16 o  387.138   2.2184 -3.350281 4.436775 
1 1 1    8    9   17 o  524.842   2.9489 -0.9073486 5.897761 
1 1 1    8    9   18 o  155.297   2.4401 -5.708664 4.880239 
1 1 1    8    9   19 o   48.487   7.0847 -46.92290 14.16942 
1 1 1    8    9   20 x  ?   ?       ?      ? 
1 1 1    8    9   21 f  602.956   3.4153 -4.265930 6.830624 
1 1 1    8    9   22 o  328.597   2.4254 -7.977966 4.850847 
1 1 1    8    9   23 o  168.522   3.9723 16.01129 7.944632 
1 1 1    8    9   24 o   92.401   5.9228 0.8572006 11.84551 
1 1 1    8    9   25 o  341.853   3.0320 7.073120 6.063906 
1 1 1    8    9   26 o  238.641   2.8392 1.039719 5.678486 
1 1 1    8    9   27 o  177.270   3.3459 -6.544189 6.691703 
1 1 1    8    9   28 f   82.177   6.4827 8.449509 12.96545 
1 1 1    8    9   29 o  159.798   3.3586 2.768005 6.717241 
1 1 1    8    9   30 o   40.363   9.7160 -24.23355 19.43199 
1 1 1    8    9   31 o   61.167   8.7453 26.39732 17.49057 
1 1 1    8    9   32 f  124.442   4.3398 -5.014168 8.679699 
1 1 1    8    9   33 o  112.043   4.6267 -4.401115 9.253348 
1 1 1    8    9   34 o   40.480   9.0010 26.68041 18.00194 
1 1 1    8    9   35 o   36.750   9.2021 19.10733 18.40429 
1 1 1    8    9   36 o   40.284   9.7653 -23.46697 19.53059 
1 1 1    8    9   37 o   65.622   7.6466 -17.75352 15.29323 
1 1 1    8    9   38 x  ?   ?       ?      ? 
1 1 1    8   10    0 o   58.559   2.7887 0.000000 0.000000 
1 1 1    8   10    1 o  123.378   1.2448 -3.963905 2.489648 
1 1 1    8   10    2 o   81.653   1.4312 -2.462761 2.862394 
1 1 1    8   10    3 o  570.940   3.0124 1.270630 6.024794 
1 1 1    8   10    4 o  519.190   2.9677 1.148376 5.935411 
1 1 1    8   10    5 o   75.600   2.2588 -5.726555 4.517535 
1 1 1    8   10    6 o  486.433   2.9814 0.9173279 5.962706 
1 1 1    8   10    7 o  305.247   1.9815 5.318207 3.963080 
1 1 1    8   10    8 o  373.640   2.1016 5.762360 4.203128 
1 1 1    8   10    9 o  448.869   2.4828 -1.498993 4.965539 
1 1 1    8   10   10 o  335.959   2.1619 -5.854553 4.323740 
1 1 1    8   10   11 o  164.356   1.6154 5.380508 3.230789 
1 1 1    8   10   12 o  432.403   2.4171 -2.472351 4.834126 
1 1 1    8   10   13 o  433.650   2.9140 -1.534637 5.827902 
1 1 1    8   10   14 o  331.342   1.9611 1.425262 3.922144 
1 1 1    8   10   15 o  595.809   3.1820 0.5703125 6.363969 
1 1 1    8   10   16 o   23.536   7.0569 -3.468637 14.11389 
1 1 1    8   10   17 o  333.703   2.4185 -10.29929 4.836912 
1 1 1    8   10   18 o   22.086   7.1246 4.431927 14.24920 
1 1 1    8   10   19 o  353.771   2.9819 50.47195 5.963862 
1 1 1    8   10   20 o  263.334   2.4537 -3.588531 4.907399 
1 1 1    8   10   21 o  290.059   3.1907 -5.278137 6.381398 
1 1 1    8   10   22 o   62.216   8.2936 -24.76373 16.58722 
1 1 1    8   10   23 o  355.682   2.5425 -10.54715 5.084995 
1 1 1    8   10   24 o   61.796   9.0243 -13.22235 18.04866 
1 1 1    8   10   25 f  120.152   4.6871 4.686577 9.374165 
1 1 1    8   10   26 o  112.322   4.9572 -12.45277 9.914452 
1 1 1    8   10   27 o  141.685   4.0242 -4.584824 8.048410 
1 1 1    8   10   28 o   55.324   9.9861 -13.88760 19.97217 
1 1 1    8   10   29 o   59.058   8.2719 6.660046 16.54374 
1 1 1    8   10   30 o  122.496   4.1796 -0.3371887 8.359295 
1 1 1    8   10   31 o   19.857   6.9251 -1.051502 13.85015 
1 1 1    8   10   32 o   33.703   9.5359 7.450386 19.07181 
1 1 1    8   10   33 o   63.343   8.4656 -5.033344 16.93128 
1 1 1    8   10   34 o   33.538   9.7196 -6.437990 19.43912 
1 1 1    8   10   35 o   42.096   10.156 -18.98401 20.31120 
1 1 1    8   10   36 o   64.963   8.5190 5.219685 17.03792 
1 1 1    8   10   37 o   37.485   9.8009 -11.75692 19.60176 
1 1 1    8   11    0 o  222.172   1.8677 0.000000 0.000000 
1 1 1    8   11    1 o   54.647   2.2684 -0.3613129 4.536791 
1 1 1    8   11    2 o  124.356   1.2652 -3.097740 2.530305 
1 1 1    8   11    3 o  465.338   2.4750 -3.143433 4.950099 
1 1 1    8   11    4 o  301.888   1.9437 3.615173 3.887429 
1 1 1    8   11    5 o  500.669   3.4257 -1.242310 6.851359 
1 1 1    8   11    6 o   68.514   2.6021 6.668129 5.204101 
1 1 1    8   11    7 o  164.783   1.5855 -0.3462982 3.171065 
1 1 1    8   11    8 o  257.899   1.8021 2.371796 3.604159 
1 1 1    8   11    9 o   78.435   2.1622 0.7169647 4.324393 
1 1 1    8   11   10 o  635.047   3.4629 -5.478149 6.925895 
1 1 1    8   11   11 f  298.273   1.8063 -4.265991 3.612514 
1 1 1    8   11   12 o  467.213   2.9085 11.44077 5.817066 
1 1 1    8   11   13 o  408.253   2.2619 1.645538 4.523886 
1 1 1    8   11   14 o  539.991   2.9028 4.886414 5.805638 
1 1 1    8   11   15 o  237.079   1.7958 -1.352356 3.591593 
1 1 1    8   11   16 o  648.730   3.4559 -0.4848022 6.911789 
1 1 1    8   11   17 o  227.398   2.0365 0.6525116 4.072902 
1 1 1    8   11   18 x  ?   ?       ?      ? 
1 1 1    8   11   19 x  ?   ?       ?      ? 
1 1 1    8   11   20 o  349.808   2.4182 -1.624023 4.836446 
1 1 1    8   11   21 o  100.860   4.8589 -6.462761 9.717836 
1 1 1    8   11   22 f  214.115   3.1983 11.46208 6.396553 
1 1 1    8   11   23 o  116.803   4.4439 -7.257416 8.887880 
1 1 1    8   11   24 o  100.699   5.4258 6.008614 10.85159 
1 1 1    8   11   25 o  155.923   3.6547 7.545181 7.309397 
1 1 1    8   11   26 o  241.557   2.9087 5.507050 5.817450 
1 1 1    8   11   27 o  116.510   4.6298 -2.341576 9.259513 
1 1 1    8   11   28 o  168.052   3.2009 2.800705 6.401763 
1 1 1    8   11   29 o   41.370   9.3616 -21.96987 18.72318 
1 1 1    8   11   30 o   65.956   7.2092 -3.616219 14.41837 
1 1 1    8   11   31 o   98.675   5.6370 6.363876 11.27407 
1 1 1    8   11   32 o   47.311   10.336 -18.07885 20.67166 
1 1 1    8   11   33 o   71.807   7.0934 -11.48694 14.18672 
1 1 1    8   11   34 f   34.756   9.7328 1.956173 19.46568 
1 1 1    8   11   35 o  101.124   5.2636 -4.086624 10.52720 
1 1 1    8   11   36 o   57.978   9.2736 20.23543 18.54722 
1 1 1    8   11   37 o   43.257   9.8369 -16.44228 19.67378 
1 1 1    8   12    0 o  237.992   2.3940 0.000000 0.000000 
1 1 1    8   12    1 o  214.512   1.3208 -3.230316 2.641525 
1 1 1    8   12    2 o  244.208   1.6406 -6.540924 3.281283 
1 1 1    8   12    3 o  295.794   1.7735 0.5986633 3.546999 
1 1 1    8   12    4 o  255.163   1.7392 -0.9656830 3.478439 
1 1 1    8   12    5 o  124.334   1.6842 -1.293320 3.368429 
1 1 1    8   12    6 o  440.437   2.7251 3.025330 5.450183 
1 1 1    8   12    7 o  106.350   1.9890 0.8034439 3.978097 
1 1 1    8   12    8 f  691.114   4.7071 -2.841187 9.414204 
1 1 1    8   12    9 o  355.825   2.2882 4.068665 4.576416 
1 1 1    8   12   10 o  111.749   2.1705 -4.971306 4.340965 
1 1 1    8   12   11 o  280.065   1.7647 -1.300476 3.529320 
1 1 1    8   12   12 o  405.283   2.9070 2.152832 5.813981 
1 1 1    8   12   13 o  384.697   2.1693 1.912445 4.338564 
1 1 1    8   12   14 o  396.335   2.2385 -3.337982 4.477091 
1 1 1    8   12   15 o   24.320   7.1188 3.051104 14.23761 
1 1 1    8   12   16 o  315.375   2.0004 2.786133 4.000885 
1 1 1    8   12   17 o  212.305   2.0730 -3.141861 4.145972 
1 1 1    8   12   18 o  173.417   2.5720 -2.464966 5.143932 
1 1 1    8   12   19 o  317.423   2.4101 -1.383484 4.820183 
1 1 1    8   12   20 o  245.890   2.4311 -5.159836 4.862166 
1 1 1    8   12   21 f  234.255   2.6481 -10.84253 5.296175 
1 1 1    8   12   22 o   36.560   8.9722 -26.24085 17.94434 
1 1 1    8   12   23 o  257.743   2.5179 10.02538 5.035729 
1 1 1    8   12   24 o  206.662   3.1231 -2.448608 6.246183 
1 1 1    8   12   25 o  235.864   2.7002 2.847763 5.400305 
1 1 1    8   12   26 o  141.931   3.8271 -3.494339 7.654170 
1 1 1    8   12   27 o   55.837   8.7871 29.12091 17.57414 
1 1 1    8   12   28 o   62.757   8.0948 -16.46894 16.18964 
1 1 1    8   12   29 o   79.858   6.0136 -7.320000 12.02712 
1 1 1    8   12   30 o   87.264   6.4934 -15.39496 12.98683 
1 1 1    8   12   31 o   19.096   6.7029 -0.2606201E-01 13.40588 
1 1 1    8   12   32 o  137.469   3.7793 1.921753 7.558634 
1 1 1    8   12   33 o   36.971   9.7188 -11.45090 19.43766 
1 1 1    8   12   34 o  146.137   3.8134 9.761292 7.626770 
1 1 1    8   12   35 o   35.795   9.7222 8.156349 19.44436 
1 1 1    8   12   36 o   31.106   9.4074 -8.634102 18.81477 
1 1 1    8   12   37 o   23.685   7.9098 -5.385382 15.81957 
1 1 1    8   13    0 o  235.416   2.4961 0.000000 0.000000 
1 1 1    8   13    1 o  221.503   1.6445 -1.766418 3.288997 
1 1 1    8   13    2 o  423.505   2.2658 -1.086823 4.531527 
1 1 1    8   13    3 o  506.788   2.6927 -3.016663 5.385460 
1 1 1    8   13    4 o  270.850   1.8380 -0.4173889 3.675966 
1 1 1    8   13    5 o  171.655   1.8763 -1.963318 3.752676 
1 1 1    8   13    6 o  296.677   2.8450 1.347443 5.690054 
1 1 1    8   13    7 o  198.513   1.7044 3.428696 3.408724 
1 1 1    8   13    8 o  405.922   2.5527 1.862915 5.105446 
1 1 1    8   13    9 o  271.241   1.9330 1.456665 3.865949 
1 1 1    8   13   10 o  466.704   2.9090 -2.767120 5.818069 
1 1 1    8   13   11 o  554.895   3.6448 1.919983 7.289657 
1 1 1    8   13   12 o  261.177   1.9674 -7.671417 3.934879 
1 1 1    8   13   13 o  161.467   2.1494 11.13644 4.298874 
1 1 1    8   13   14 o  128.027   2.3650 0.4079514 4.729924 
1 1 1    8   13   15 o  462.393   2.5513 -0.7209778 5.102520 
1 1 1    8   13   16 o  467.495   2.6021 -3.303345 5.204147 
1 1 1    8   13   17 o  405.688   3.0872 29.52820 6.174388 
1 1 1    8   13   18 o  209.028   2.4595 -6.667038 4.918901 
1 1 1    8   13   19 o  279.771   3.9425      ?      ? 
1 1 1    8   13   20 o  202.719   2.5722 0.8487091 5.144357 
1 1 1    8   13   21 o  265.496   3.8366 100.9436 7.673122 
1 1 1    8   13   22 o   72.029   7.4248 16.67680 14.84962 
1 1 1    8   13   23 o  164.460   3.3918 6.011246 6.783574 
1 1 1    8   13   24 o   87.799   5.8217 -12.44056 11.64335 
1 1 1    8   13   25 o  239.489   3.0882 1.100677 6.176495 
1 1 1    8   13   26 o   96.845   5.3509 -23.17580 10.70187 
1 1 1    8   13   27 o   85.186   5.8196 -26.21661 11.63925 
1 1 1    8   13   28 o   51.431   10.235 -12.06443 20.47065 
1 1 1    8   13   29 o   46.229   9.0212 20.37695 18.04243 
1 1 1    8   13   30 o   36.499   10.391 0.1557312 20.78108 
1 1 1    8   13   31 o   36.585   9.7785 -6.008183 19.55703 
1 1 1    8   13   32 o   29.991   9.0084 1.393072 18.01677 
1 1 1    8   13   33 o   48.933   8.9512 -33.48057 17.90238 
1 1 1    8   13   34 o   28.980   8.9963 -9.011490 17.99267 
1 1 1    8   13   35 o   43.572   10.440 0.3566322 20.87967 
1 1 1    8   13   36 o   34.321   9.6787 -1.268108 19.35732 
1 1 1    8   14    0 o   18.610   7.4914 0.000000 0.000000 
1 1 1    8   14    1 o  165.428   1.8425 -1.887375 3.684985 
1 1 1    8   14    2 o   66.371   2.3724 0.9896011 4.744716 
1 1 1    8   14    3 o  174.309   1.5407 4.475861 3.081414 
1 1 1    8   14    4 o  184.725   1.6299 -3.320724 3.259747 
1 1 1    8   14    5 o  433.877   2.7018 -2.134186 5.403514 
1 1 1    8   14    6 o  254.581   1.8285 -0.8547211 3.657059 
1 1 1    8   14    7 o  136.008   1.9530 2.060364 3.906038 
1 1 1    8   14    8 f  368.664   2.3763 -0.4664612 4.752500 
1 1 1    8   14    9 o  304.053   2.5125 -7.583832 5.024943 
1 1 1    8   14   10 o  659.043   4.5076 -2.916016 9.015276 
1 1 1    8   14   11 o  143.185   2.0010 2.599884 4.001922 
1 1 1    8   14   12 o  199.092   1.7955 -9.645874 3.590946 
1 1 1    8   14   13 o  103.436   2.6298 -6.790031 5.259640 
1 1 1    8   14   14 o  171.691   1.9246 -0.2036743 3.849201 
1 1 1    8   14   15 o  274.961   1.9291 -7.081299 3.858270 
1 1 1    8   14   16 o  160.358   3.7118 -3.408035 7.423588 
1 1 1    8   14   17 o  195.628   2.2837 -0.9331360 4.567437 
1 1 1    8   14   18 o  188.550   2.9161 0.4222565 5.832131 
1 1 1    8   14   19 o  231.562   2.3751 -5.892548 4.750295 
1 1 1    8   14   20 o  274.008   2.4352 -5.775787 4.870365 
1 1 1    8   14   21 o  142.761   3.6580 -6.115372 7.315974 
1 1 1    8   14   22 o  276.221   2.4350 4.235718 4.870072 
1 1 1    8   14   23 f  180.751   2.9784 -3.839310 5.956812 
1 1 1    8   14   24 o  102.919   5.0554 -12.64383 10.11072 
1 1 1    8   14   25 o   64.292   8.0328 -16.25892 16.06557 
1 1 1    8   14   26 o  134.996   4.2314 3.174774 8.462863 
1 1 1    8   14   27 o   82.850   5.8438 2.302666 11.68765 
1 1 1    8   14   28 o   42.968   9.5371 7.422649 19.07423 
1 1 1    8   14   29 o   27.560   8.5806 -10.96025 17.16123 
1 1 1    8   14   30 o   84.669   5.8440 -9.316170 11.68807 
1 1 1    8   14   31 o  120.994   4.1267 -0.6316452 8.253478 
1 1 1    8   14   32 o   23.429   7.8935 -6.634109 15.78691 
1 1 1    8   14   33 o   43.952   9.7041 6.881680 19.40821 
1 1 1    8   14   34 o   52.189   8.8608 30.01217 17.72163 
1 1 1    8   14   35 o   94.036   5.5470 -8.044899 11.09395 
1 1 1    8   14   36 o   26.350   8.4520 -11.24702 16.90404 
1 1 1    8   15    0 o  253.429   3.0660 0.000000 0.000000 
1 1 1    8   15    1 o  560.194   2.9687 -3.785339 5.937438 
1 1 1    8   15    2 o  197.973   1.5627 -3.049149 3.125480 
1 1 1    8   15    3 o  412.988   2.3158 -10.34494 4.631531 
1 1 1    8   15    4 o   35.436   6.2238 -10.41397 12.44756 
1 1 1    8   15    5 o  181.508   1.8972 -0.7442780 3.794496 
1 1 1    8   15    6 o  331.658   2.1946 0.5686951 4.389115 
1 1 1    8   15    7 o  207.540   1.8184 2.631653 3.636737 
1 1 1    8   15    8 o  239.593   1.9378 -2.811478 3.875682 
1 1 1    8   15    9 o  270.621   2.9058 -2.618591 5.811641 
1 1 1    8   15   10 o  349.666   2.3468 3.980499 4.693545 
1 1 1    8   15   11 f  183.220   2.1358 2.303131 4.271696 
1 1 1    8   15   12 o  134.091   1.9663 1.761475 3.932514 
1 1 1    8   15   13 o  388.789   2.2214 4.655670 4.442873 
1 1 1    8   15   14 o  425.131   2.4062 -1.673370 4.812417 
1 1 1    8   15   15 o  239.681   2.4415 42.62334 4.883095 
1 1 1    8   15   16 o  127.637   3.0511 -11.89883 6.102216 
1 1 1    8   15   17 o  124.481   3.3466 -10.24780 6.693270 
1 1 1    8   15   18 o  260.316   2.4367 0.1466980 4.873349 
1 1 1    8   15   19 o  751.390   4.1590 -3.802856 8.317932 
1 1 1    8   15   20 o  401.085   2.6032 -3.138550 5.206444 
1 1 1    8   15   21 o  203.566   2.6743 -1.350906 5.348557 
1 1 1    8   15   22 o  179.547   3.0862 3.284271 6.172371 
1 1 1    8   15   23 o  293.292   2.4206 0.3676453 4.841155 
1 1 1    8   15   24 o   95.790   5.6839 7.507164 11.36778 
1 1 1    8   15   25 o   83.723   5.8731 4.094704 11.74628 
1 1 1    8   15   26 o   66.314   7.7064 20.80717 15.41289 
1 1 1    8   15   27 o   72.344   6.5126 -9.955353 13.02523 
1 1 1    8   15   28 o   75.441   6.3694 2.826965 12.73874 
1 1 1    8   15   29 o  113.669   4.8257 16.08270 9.651482 
1 1 1    8   15   30 o   35.444   9.2861 8.182816 18.57221 
1 1 1    8   15   31 o   44.982   9.8997 -2.825596 19.79936 
1 1 1    8   15   32 o   59.890   8.3141 21.69408 16.62826 
1 1 1    8   15   33 o   75.554   6.5805 1.563721 13.16093 
1 1 1    8   15   34 o   72.587   7.1651 4.895050 14.33016 
1 1 1    8   15   35 o   34.030   9.4628 -14.28341 18.92552 
1 1 1    8   16    0 o  631.674   6.6866 0.000000 0.000000 
1 1 1    8   16    1 f  359.050   2.1614 -7.520905 4.322780 
1 1 1    8   16    2 o  216.302   1.5677 -2.267807 3.135345 
1 1 1    8   16    3 o  172.873   1.7689 -10.25145 3.537715 
1 1 1    8   16    4 o   21.980   5.8926 -15.49461 11.78517 
1 1 1    8   16    5 o  323.688   2.1672 2.433167 4.334418 
1 1 1    8   16    6 o  399.262   2.5582 -3.471771 5.116366 
1 1 1    8   16    7 o  275.894   2.9075 -5.923798 5.815080 
1 1 1    8   16    8 o  429.556   2.7432 9.577362 5.486386 
1 1 1    8   16    9 o  108.930   2.9284 1.801178 5.856813 
1 1 1    8   16   10 o  214.462   2.0678 -1.118927 4.135565 
1 1 1    8   16   11 o  398.810   2.6250 -0.7700500 5.250045 
1 1 1    8   16   12 o  503.278   2.7487 4.080566 5.497351 
1 1 1    8   16   13 o  467.791   2.5988 3.511688 5.197573 
1 1 1    8   16   14 o  463.782   3.4051 31.42242 6.810266 
1 1 1    8   16   15 o  174.711   2.3351 -11.16464 4.670253 
1 1 1    8   16   16 f  329.244   2.2181 0.6832886E-01 4.436212 
1 1 1    8   16   17 o  441.714   2.5742 -2.017365 5.148335 
1 1 1    8   16   18 o  224.341   2.9896 -4.830444 5.979277 
1 1 1    8   16   19 o  486.377   2.8912 7.597656 5.782500 
1 1 1    8   16   20 o  229.026   2.4306 -2.668594 4.861290 
1 1 1    8   16   21 o  166.508   3.4080 26.88666 6.815948 
1 1 1    8   16   22 o  141.586   3.5080 -3.027527 7.015973 
1 1 1    8   16   23 o  111.243   4.5137 8.150490 9.027460 
1 1 1    8   16   24 f   51.753   9.4307 0.1375122 18.86145 
1 1 1    8   16   25 f  134.314   3.6239 -4.803040 7.247711 
1 1 1    8   16   26 o  146.323   4.0453 -6.993042 8.090566 
1 1 1    8   16   27 o  138.276   3.4888 -0.9157257 6.977573 
1 1 1    8   16   28 o   30.721   8.9704 -10.33896 17.94074 
1 1 1    8   16   29 o  132.284   3.6555 3.548019 7.310907 
1 1 1    8   16   30 o   90.783   5.3282 -1.313324 10.65648 
1 1 1    8   16   31 o   29.596   8.9604 -5.735996 17.92081 
1 1 1    8   16   32 o   34.185   8.5799 -29.44551 17.15983 
1 1 1    8   16   33 o   43.282   10.023 1.308514 20.04651 
1 1 1    8   16   34 o   97.730   5.2955 -11.09463 10.59109 
1 1 1    8   16   35 o   64.557   7.8098 10.20346 15.61957 
1 1 1    8   17    0 o  586.152   4.4054 0.000000 0.000000 
1 1 1    8   17    1 o  125.255   1.9344 -4.313744 3.868701 
1 1 1    8   17    2 o  398.918   2.6040 -10.39108 5.208094 
1 1 1    8   17    3 o  143.781   2.3882 23.61765 4.776455 
1 1 1    8   17    4 o   94.438   2.7536 -1.250053 5.507284 
1 1 1    8   17    5 o  507.766   3.1570 -1.665161 6.313945 
1 1 1    8   17    6 o   92.737   3.3586 -5.038055 6.717230 
1 1 1    8   17    7 o  263.336   2.0798 5.359680 4.159506 
1 1 1    8   17    8 o  790.268   4.8133 8.468079 9.626584 
1 1 1    8   17    9 o  482.333   3.0432 4.410492 6.086323 
1 1 1    8   17   10 o  124.608   3.0686 -9.982773 6.137274 
1 1 1    8   17   11 o  332.060   2.3952 -3.601410 4.790332 
1 1 1    8   17   12 f  268.371   2.8757 16.77829 5.751477 
1 1 1    8   17   13 o  337.524   2.7665 35.03082 5.532955 
1 1 1    8   17   14 o  416.992   2.6505 -1.199768 5.300928 
1 1 1    8   17   15 o  296.793   2.7686 -13.48254 5.537280 
1 1 1    8   17   16 o   96.918   5.1363 -24.42152 10.27267 
1 1 1    8   17   17 o  288.022   2.1473 -1.972321 4.294686 
1 1 1    8   17   18 o  289.844   2.5947 -12.37534 5.189365 
1 1 1    8   17   19 o  213.933   2.4264 10.15091 4.852763 
1 1 1    8   17   20 o  217.236   2.5005 -1.231491 5.000937 
1 1 1    8   17   21 o  123.076   3.7037 -5.332176 7.407428 
1 1 1    8   17   22 o  132.151   3.5395 4.582016 7.079002 
1 1 1    8   17   23 o   38.668   9.3256 -17.48704 18.65125 
1 1 1    8   17   24 o  169.588   3.0552 4.335419 6.110339 
1 1 1    8   17   25 o  105.704   4.2908 -1.744339 8.581532 
1 1 1    8   17   26 o  226.780   2.5221 8.669510 5.044258 
1 1 1    8   17   27 f   27.213   8.4235 -6.817610 16.84702 
1 1 1    8   17   28 o  152.484   3.3563 2.603561 6.712618 
1 1 1    8   17   29 o  107.733   4.4318 1.674660 8.863632 
1 1 1    8   17   30 o   23.314   7.7742 -4.489294 15.54847 
1 1 1    8   17   31 o  143.749   3.4708 7.101135 6.941605 
1 1 1    8   17   32 o   44.513   9.7809 -2.545750 19.56175 
1 1 1    8   17   33 f  138.493   3.7892 1.053513 7.578351 
1 1 1    8   17   34 o   26.440   8.5037 -12.65145 17.00733 
1 1 1    8   17   35 x  ?   ?       ?      ? 
1 1 1    8   18    0 o  164.891   3.0325 0.000000 0.000000 
1 1 1    8   18    1 f   87.153   3.0888 -4.485413 6.177686 
1 1 1    8   18    2 o  224.486   2.0421 -2.226761 4.084270 
1 1 1    8   18    3 o  155.807   2.2906 -8.975327 4.581228 
1 1 1    8   18    4 o  109.969   3.6873 38.85865 7.374584 
1 1 1    8   18    5 o  432.318   3.0783 4.707977 6.156656 
1 1 1    8   18    6 o   65.018   5.0668 4.723820 10.13369 
1 1 1    8   18    7 o  222.962   2.1081 -6.332092 4.216220 
1 1 1    8   18    8 o   60.080   5.6120 1.887413 11.22396 
1 1 1    8   18    9 o  301.837   2.2874 -2.779266 4.574824 
1 1 1    8   18   10 o  212.767   2.3744 -5.222443 4.748705 
1 1 1    8   18   11 o  364.538   3.3124 17.43872 6.624848 
1 1 1    8   18   12 o  284.451   3.7006 7.523346 7.401219 
1 1 1    8   18   13 o  160.635   2.1491 -2.373291 4.298223 
1 1 1    8   18   14 o  444.501   3.7506 -16.38950 7.501166 
1 1 1    8   18   15 f   47.731   7.0286 -31.50133 14.05716 
1 1 1    8   18   16 o  224.497   2.2093 -4.316650 4.418546 
1 1 1    8   18   17 f   60.941   6.7993 -2.042610 13.59868 
1 1 1    8   18   18 o  305.951   2.2163 -3.002625 4.432582 
1 1 1    8   18   19 o  110.082   3.9882 9.065979 7.976473 
1 1 1    8   18   20 o  258.191   2.3747 -0.4547729 4.749360 
1 1 1    8   18   21 o   45.644   9.0504 -11.78119 18.10080 
1 1 1    8   18   22 o   21.012   7.1117 7.788057 14.22349 
1 1 1    8   18   23 o  182.379   2.7810 0.7050323 5.561931 
1 1 1    8   18   24 o  105.350   4.2649 -1.738503 8.529858 
1 1 1    8   18   25 o  101.423   4.5787 -0.9379578E-01 9.157474 
1 1 1    8   18   26 o   81.844   5.4237 -0.4987030 10.84740 
1 1 1    8   18   27 o   22.890   7.5753 5.791422 15.15053 
1 1 1    8   18   28 o   67.426   6.8171 -5.148621 13.63419 
1 1 1    8   18   29 o  134.124   3.6687 9.629044 7.337348 
1 1 1    8   18   30 o  106.115   4.6147 -5.299789 9.229422 
1 1 1    8   18   31 o  115.790   4.2194 -6.590141 8.438812 
1 1 1    8   18   32 f   36.520   9.4566 11.32762 18.91322 
1 1 1    8   18   33 o   38.144   9.6845 -12.75882 19.36905 
1 1 1    8   18   34 o   66.198   7.5671 5.852524 15.13420 
1 1 1    8   19    0 x  ?   ?       ?      ? 
1 1 1    8   19    1 o  557.225   2.9784 -2.276062 5.956725 
1 1 1    8   19    2 o  205.953   1.7224 -6.097366 3.444802 
1 1 1    8   19    3 o  198.944   2.1620 -1.927795 4.323961 
1 1 1    8   19    4 o  421.801   2.4352 -3.347351 4.870317 
1 1 1    8   19    5 o  297.209   2.2875 -9.384735 4.574901 
1 1 1    8   19    6 o   30.644   8.0223 -12.06543 16.04451 
1 1 1    8   19    7 o  478.022   3.3966 -1.867340 6.793292 
1 1 1    8   19    8 x  ?   ?       ?      ? 
1 1 1    8   19    9 o  403.414   4.6228      ?      ? 
1 1 1    8   19   10 o  108.474   5.4622 -33.44745 10.92439 
1 1 1    8   19   11 o  184.226   2.7374 -2.802826 5.474728 
1 1 1    8   19   12 o  609.936   3.8282 1.059082 7.656485 
1 1 1    8   19   13 o  156.279   2.7382 -23.54080 5.476384 
1 1 1    8   19   14 o   21.466   6.8304 16.42758 13.66086 
1 1 1    8   19   15 o  529.377   2.9587 -0.8219604 5.917397 
1 1 1    8   19   16 o  210.560   2.6072 14.01495 5.214404 
1 1 1    8   19   17 o  298.302   2.1998 -0.3287964 4.399679 
1 1 1    8   19   18 o   70.549   5.6216 -2.236137 11.24312 
1 1 1    8   19   19 o  320.007   2.3525 -0.6347656 4.705096 
1 1 1    8   19   20 o   93.730   4.7078 -1.123512 9.415686 
1 1 1    8   19   21 f  192.236   2.6476 4.203644 5.295193 
1 1 1    8   19   22 o  125.820   4.2240 -10.27731 8.448092 
1 1 1    8   19   23 o  123.733   3.4609 5.418053 6.921799 
1 1 1    8   19   24 f  126.844   3.4421 10.07405 6.884187 
1 1 1    8   19   25 o   37.668   9.1445 6.358551 18.28892 
1 1 1    8   19   26 f   69.022   6.3237 -10.18951 12.64737 
1 1 1    8   19   27 o  113.169   5.1018 -10.02217 10.20369 
1 1 1    8   19   28 o  149.779   3.2059 2.392883 6.411895 
1 1 1    8   19   29 o   25.999   8.1051 7.692844 16.21021 
1 1 1    8   19   30 o  138.137   3.6294 6.655212 7.258877 
1 1 1    8   19   31 o   99.286   4.8831 -4.343201 9.766191 
1 1 1    8   19   32 o   45.020   9.7943 -2.449852 19.58861 
1 1 1    8   19   33 o  108.681   4.4398 -19.64164 8.879696 
1 1 1    8   20    0 o  510.828   4.4985 0.000000 0.000000 
1 1 1    8   20    1 o  277.043   1.8538 1.060272 3.707623 
1 1 1    8   20    2 o  167.027   1.9830 -3.525421 3.966022 
1 1 1    8   20    3 o   70.773   4.1227 -2.394836 8.245469 
1 1 1    8   20    4 o  134.219   2.9243 -20.26517 5.848640 
1 1 1    8   20    5 f   88.881   3.9650 -20.77136 7.929980 
1 1 1    8   20    6 o  289.076   2.1621 -4.186859 4.324144 
1 1 1    8   20    7 o  228.475   3.0212 -25.07237 6.042490 
1 1 1    8   20    8 x  ?   ?       ?      ? 
1 1 1    8   20    9 o  144.080   3.3474 0.3170319 6.694839 
1 1 1    8   20   10 o  203.122   3.8947 -12.82816 7.789301 
1 1 1    8   20   11 o  606.671   4.2963 32.81311 8.592577 
1 1 1    8   20   12 o  178.958   2.8811 10.40770 5.762126 
1 1 1    8   20   13 o   75.800   6.1905 -6.177101 12.38110 
1 1 1    8   20   14 o  391.087   3.2309 48.45169 6.461738 
1 1 1    8   20   15 o  144.175   2.7079 1.889191 5.415861 
1 1 1    8   20   16 o  255.442   2.1557 -1.740387 4.311444 
1 1 1    8   20   17 o   44.739   8.1936 -10.08116 16.38722 
1 1 1    8   20   18 o  150.607   3.0888 1.952698 6.177589 
1 1 1    8   20   19 o  165.608   2.7027 4.021042 5.405369 
1 1 1    8   20   20 o  138.881   3.1739 8.994080 6.347784 
1 1 1    8   20   21 o  185.656   2.6014 2.927673 5.202791 
1 1 1    8   20   22 o   92.011   4.5964 7.029213 9.192773 
1 1 1    8   20   23 o   28.538   8.4250 -0.6100082E-01 16.85004 
1 1 1    8   20   24 o   32.275   8.5872 7.990818 17.17447 
1 1 1    8   20   25 o  136.311   3.1876 -6.627304 6.375215 
1 1 1    8   20   26 o   38.978   9.7806 -5.017059 19.56124 
1 1 1    8   20   27 o   87.456   5.0467 -4.525757 10.09339 
1 1 1    8   20   28 o   47.465   8.8763 -10.21636 17.75266 
1 1 1    8   20   29 o   49.930   8.9456 -17.15784 17.89119 
1 1 1    8   20   30 o   91.901   5.0495 -6.682236 10.09908 
1 1 1    8   20   31 o   34.402   9.5334 -2.062424 19.06673 
1 1 1    8   20   32 o   53.305   8.7543 16.66486 17.50864 
1 1 1    8   20   33 o   29.844   9.2698 -16.11003 18.53959 
1 1 1    8   21    0 o  194.737   4.0908 0.000000 0.000000 
1 1 1    8   21    1 o  402.853   2.9744 13.86066 5.948717 
1 1 1    8   21    2 o  337.531   2.7268 -25.30463 5.453664 
1 1 1    8   21    3 o  273.042   3.6957      ?      ? 
1 1 1    8   21    4 o  140.615   2.9461 -13.59869 5.892196 
1 1 1    8   21    5 o  252.242   2.1017 -3.482178 4.203427 
1 1 1    8   21    6 o  331.741   2.3216 -8.518707 4.643269 
1 1 1    8   21    7 o  225.615   3.1225 -15.01454 6.244938 
1 1 1    8   21    8 f  356.168   2.8940 -6.515778 5.788041 
1 1 1    8   21    9 o  383.442   3.1054 25.46072 6.210769 
1 1 1    8   21   10 o  559.485   3.5522 -2.220886 7.104370 
1 1 1    8   21   11 o   32.016   9.1586 5.581699 18.31723 
1 1 1    8   21   12 o  116.372   6.2498 18.57122 12.49966 
1 1 1    8   21   13 o  212.879   2.7693 2.028503 5.538666 
1 1 1    8   21   14 o  242.135   2.0868 0.9851227 4.173602 
1 1 1    8   21   15 o  161.532   2.4794 -5.526825 4.958844 
1 1 1    8   21   16 f   80.487   4.8481 -23.02634 9.696217 
1 1 1    8   21   17 o  147.353   2.7372 -1.240829 5.474336 
1 1 1    8   21   18 o  190.731   2.3258 2.078461 4.651632 
1 1 1    8   21   19 o  349.094   2.4597 -0.7766113 4.919454 
1 1 1    8   21   20 o  232.021   2.2901 2.043823 4.580100 
1 1 1    8   21   21 o   71.459   5.3598 1.601776 10.71954 
1 1 1    8   21   22 o   50.257   7.6938 -13.54863 15.38769 
1 1 1    8   21   23 o   58.918   7.1185 -26.76120 14.23695 
1 1 1    8   21   24 o  110.787   3.7658 -2.461098 7.531506 
1 1 1    8   21   25 o  134.308   3.9891 29.01180 7.978193 
1 1 1    8   21   26 o   63.603   6.7673 1.506317 13.53469 
1 1 1    8   21   27 o   26.602   8.2218 3.934179 16.44362 
1 1 1    8   21   28 o   50.248   9.0172 23.01503 18.03442 
1 1 1    8   21   29 o   68.936   6.6047 0.9502563 13.20935 
1 1 1    8   21   30 o   42.964   9.4302 4.115566 18.86040 
1 1 1    8   21   31 o   39.053   9.4868 6.080399 18.97366 
1 1 1    8   21   32 o   27.873   8.5809 -10.29275 17.16182 
1 1 1    8   22    0 o  241.075   3.4113 0.000000 0.000000 
1 1 1    8   22    1 o  472.550   2.6423 -5.988892 5.284603 
1 1 1    8   22    2 o  258.356   2.0241 -2.240356 4.048166 
1 1 1    8   22    3 f   21.183   7.4303 -7.273928 14.86058 
1 1 1    8   22    4 o  260.344   2.2183 15.30554 4.436614 
1 1 1    8   22    5 o  247.125   2.2949 1.942413 4.589832 
1 1 1    8   22    6 o  175.762   2.6494 -0.9591064 5.298730 
1 1 1    8   22    7 o  125.706   3.1324 1.892059 6.264755 
1 1 1    8   22    8 o  259.718   2.5114 1.839142 5.022883 
1 1 1    8   22    9 o   35.009   9.1900 -13.63475 18.38002 
1 1 1    8   22   10 o  109.310   5.7606 -5.225746 11.52117 
1 1 1    8   22   11 o  104.254   5.4822 -44.61938 10.96432 
1 1 1    8   22   12 o  136.681   3.7266 4.590729 7.453278 
1 1 1    8   22   13 o  191.280   2.8821 -2.845779 5.764195 
1 1 1    8   22   14 o  146.203   2.5297 1.013199 5.059305 
1 1 1    8   22   15 o   36.210   8.2477 13.90168 16.49534 
1 1 1    8   22   16 o  310.728   2.1706 3.951935 4.341230 
1 1 1    8   22   17 f   86.295   4.3406 -4.829140 8.681281 
1 1 1    8   22   18 o  282.318   2.1549 4.990997 4.309822 
1 1 1    8   22   19 o   22.442   7.2657 4.663675 14.53146 
1 1 1    8   22   20 o  144.503   2.7588 -1.017838 5.517658 
1 1 1    8   22   21 o  109.670   3.5683 -8.214310 7.136616 
1 1 1    8   22   22 f   69.408   5.4532 11.00180 10.90632 
1 1 1    8   22   23 o  158.139   2.6265 -1.549316 5.252970 
1 1 1    8   22   24 o  165.903   6.6470      ?      ? 
1 1 1    8   22   25 f   23.586   7.6690 -5.919521 15.33794 
1 1 1    8   22   26 o   28.532   8.5495 -4.268320 17.09892 
1 1 1    8   22   27 o   66.854   6.7201 0.2379990 13.44026 
1 1 1    8   22   28 o   27.310   8.7358 -0.3091507 17.47153 
1 1 1    8   22   29 o   35.189   9.1755 -12.55499 18.35098 
1 1 1    8   22   30 o   45.789   9.4106 -8.411587 18.82122 
1 1 1    8   22   31 o   36.474   9.3125 -11.30056 18.62499 
1 1 1    8   23    0 x  ?   ?       ?      ? 
1 1 1    8   23    1 o  147.851   2.7741 3.162781 5.548244 
1 1 1    8   23    2 o   58.410   7.1010 -30.59573 14.20190 
1 1 1    8   23    3 o  145.571   2.7368 2.241028 5.473522 
1 1 1    8   23    4 o  174.460   2.3669 0.3005829 4.733750 
1 1 1    8   23    5 f  325.731   2.1236 -7.824158 4.247231 
1 1 1    8   23    6 o  148.092   2.5847 -0.7981720 5.169329 
1 1 1    8   23    7 o  320.472   2.8945      ?      ? 
1 1 1    8   23    8 o  218.843   4.6373      ?      ? 
1 1 1    8   23    9 o   53.958   9.6226 1.597843 19.24517 
1 1 1    8   23   10 o  252.104   2.5899 1.166916 5.179855 
1 1 1    8   23   11 o   92.898   5.2153 -3.619987 10.43065 
1 1 1    8   23   12 o  283.066   2.6206 2.268158 5.241174 
1 1 1    8   23   13 o  108.323   3.8260 -6.227669 7.652032 
1 1 1    8   23   14 o  235.144   2.0614 4.343842 4.122896 
1 1 1    8   23   15 o  256.163   2.1286 6.395493 4.257121 
1 1 1    8   23   16 f   77.639   4.5268 3.426376 9.053631 
1 1 1    8   23   17 o   69.356   5.1154 0.9765854 10.23073 
1 1 1    8   23   18 o  129.046   2.8595 -4.928146 5.718977 
1 1 1    8   23   19 o   90.901   4.0041 -11.96332 8.008291 
1 1 1    8   23   20 o   40.611   8.2234 6.126732 16.44670 
1 1 1    8   23   21 o   36.478   8.4427 6.800838 16.88544 
1 1 1    8   23   22 o   77.776   4.7505 1.756805 9.500929 
1 1 1    8   23   23 o   89.624   7.0426 86.13161 14.08514 
1 1 1    8   23   24 o   89.088   4.5522 17.81414 9.104361 
1 1 1    8   23   25 o   22.840   7.4491 -2.252516 14.89810 
1 1 1    8   23   26 o   43.993   8.9629 8.154575 17.92575 
1 1 1    8   23   27 o   58.433   7.1218 1.988529 14.24361 
1 1 1    8   23   28 o  104.781   4.3059 6.405701 8.611812 
1 1 1    8   23   29 o   44.819   8.8769 8.333038 17.75381 
1 1 1    8   23   30 o   49.753   8.5506 8.398918 17.10114 
1 1 1    8   23   31 o   24.452   7.8242 -1.721443 15.64840 
1 1 1    8   24    0 o   15.779   8.1708 0.000000 0.000000 
1 1 1    8   24    1 o  196.254   2.5409 1.388855 5.081813 
1 1 1    8   24    2 o  163.543   2.9515 1.175858 5.903097 
1 1 1    8   24    3 o  326.003   2.3168 -3.555817 4.633504 
1 1 1    8   24    4 o  193.832   3.3115 -17.83316 6.623015 
1 1 1    8   24    5 o  137.707   3.4893 -4.281479 6.978626 
1 1 1    8   24    6 x  ?   ?       ?      ? 
1 1 1    8   24    7 o   29.633   8.2253 -3.711292 16.45056 
1 1 1    8   24    8 o   98.500   3.5931 -0.7830582 7.186295 
1 1 1    8   24    9 o  111.177   2.7912 1.286842 5.582307 
1 1 1    8   24   10 o  206.755   2.4797 8.850189 4.959375 
1 1 1    8   24   11 o  190.306   2.8957 -8.864792 5.791395 
1 1 1    8   24   12 o   80.873   5.1091 -3.672592 10.21822 
1 1 1    8   24   13 o   66.650   4.6362 5.561897 9.272477 
1 1 1    8   24   14 o  361.040   2.2950 4.279968 4.590081 
1 1 1    8   24   15 o  273.642   2.1176 -5.432495 4.235124 
1 1 1    8   24   16 o  201.499   2.1322 5.383865 4.264441 
1 1 1    8   24   17 f  108.417   3.1133 -0.2549973 6.226664 
1 1 1    8   24   18 o  135.687   2.5957 5.639938 5.191405 
1 1 1    8   24   19 o   26.798   7.8610 -0.5289993 15.72200 
1 1 1    8   24   20 o   57.485   6.0802 12.36726 12.16034 
1 1 1    8   24   21 o   38.476   8.0331 -11.74711 16.06612 
1 1 1    8   24   22 o   85.024   4.5582 9.247841 9.116367 
1 1 1    8   24   23 o   90.311   4.1581 -8.429825 8.316204 
1 1 1    8   24   24 o   28.731   8.2573 -7.902166 16.51465 
1 1 1    8   24   25 o   28.839   8.0827 13.69364 16.16543 
1 1 1    8   24   26 o   48.139   7.5796 -34.08041 15.15925 
1 1 1    8   24   27 o   32.519   8.8943 2.995096 17.78859 
1 1 1    8   24   28 o   23.731   7.7219 1.601913 15.44386 
1 1 1    8   24   29 o   36.895   9.1175 -11.26243 18.23502 
1 1 1    8   24   30 o   32.785   8.4147 12.85911 16.82935 
1 1 1    8   25    0 o   61.972   10.716 0.000000 0.000000 
1 1 1    8   25    1 o  123.767   3.3046 12.15826 6.609295 
1 1 1    8   25    2 o  365.013   2.2626 0.7135010E-01 4.525134 
1 1 1    8   25    3 o  201.282   2.4682 -5.096436 4.936417 
1 1 1    8   25    4 o  158.576   2.6407 -1.204819 5.281437 
1 1 1    8   25    5 o  319.751   2.1487 4.816162 4.297390 
1 1 1    8   25    6 o   53.133   7.4549 10.40421 14.90977 
1 1 1    8   25    7 o  241.152   2.1969 -9.682800 4.393759 
1 1 1    8   25    8 o  140.378   2.8287 2.058517 5.657489 
1 1 1    8   25    9 o  156.313   2.2217 -13.35364 4.443488 
1 1 1    8   25   10 o  145.234   2.3862 -0.5672150 4.772420 
1 1 1    8   25   11 o  224.468   2.0245 -2.805603 4.049041 
1 1 1    8   25   12 o  128.607   2.5349 -8.110130 5.069724 
1 1 1    8   25   13 o  185.421   2.1374 -6.959915 4.274808 
1 1 1    8   25   14 o   82.705   3.8845 -9.153275 7.768968 
1 1 1    8   25   15 o  158.720   2.2620 4.801071 4.523975 
1 1 1    8   25   16 o   83.239   3.8368 -6.121979 7.673511 
1 1 1    8   25   17 o   80.758   3.9759 6.343109 7.951865 
1 1 1    8   25   18 f   28.694   6.6198 -21.53762 13.23951 
1 1 1    8   25   19 o  101.733   3.4180 6.687416 6.835909 
1 1 1    8   25   20 o   21.676   6.9266 9.760839 13.85328 
1 1 1    8   25   21 o   35.948   8.1314 -16.89311 16.26279 
1 1 1    8   25   22 o   67.129   5.5263 15.44772 11.05256 
1 1 1    8   25   23 o   25.779   7.7066 11.49932 15.41329 
1 1 1    8   25   24 o   39.968   8.9944 0.6671371 17.98884 
1 1 1    8   25   25 o   43.890   8.6230 -7.983353 17.24601 
1 1 1    8   25   26 o   22.602   7.3700 -6.450914 14.74007 
1 1 1    8   25   27 o   70.462   6.0252 -1.368164 12.05037 
1 1 1    8   25   28 o   24.576   7.8653 3.502651 15.73067 
1 1 1    8   25   29 o   23.464   7.8976 -11.00887 15.79520 
1 1 1    8   26    0 o  149.572   5.9456 0.000000 0.000000 
1 1 1    8   26    1 o  238.767   2.3978 -4.433365 4.795657 
1 1 1    8   26    2 o   69.198   7.1277 25.43206 14.25544 
1 1 1    8   26    3 o  260.268   2.1132 -0.1015930 4.226325 
1 1 1    8   26    4 o  330.902   2.2011 -4.257568 4.402134 
1 1 1    8   26    5 o  203.084   2.2786 -10.72498 4.557259 
1 1 1    8   26    6 o  250.181   2.0981 1.802200 4.196133 
1 1 1    8   26    7 o  135.121   2.8757 3.423157 5.751355 
1 1 1    8   26    8 o   27.201   7.9244 -11.58805 15.84884 
1 1 1    8   26    9 o   48.079   6.6051 23.04150 13.21027 
1 1 1    8   26   10 o  187.990   2.0294 -8.199829 4.058866 
1 1 1    8   26   11 o  129.171   3.0145 1.174637 6.029075 
1 1 1    8   26   12 o  153.595   2.2575 4.127380 4.514922 
1 1 1    8   26   13 o   46.091   6.7937 -4.918339 13.58732 
1 1 1    8   26   14 f   40.179   6.7888 -23.80422 13.57765 
1 1 1    8   26   15 o   20.959   6.5448 13.47281 13.08969 
1 1 1    8   26   16 o   98.515   3.3018 -20.94849 6.603632 
1 1 1    8   26   17 o  110.715   2.9621 -5.441147 5.924149 
1 1 1    8   26   18 o   73.139   4.3527 3.568489 8.705497 
1 1 1    8   26   19 o   23.314   7.2710 4.469658 14.54206 
1 1 1    8   26   20 o   45.985   7.1952 -23.51389 14.39034 
1 1 1    8   26   21 o   44.420   7.7749 -8.599854 15.54972 
1 1 1    8   26   22 o   30.992   8.2023 -12.62764 16.40464 
1 1 1    8   26   23 o   98.612   4.0927 1.541351 8.185475 
1 1 1    8   26   24 o   93.056   4.3413 -4.869225 8.682571 
1 1 1    8   26   25 o   25.517   7.4222 -19.36860 14.84438 
1 1 1    8   26   26 o   70.539   5.6852 -0.9929733 11.37050 
1 1 1    8   26   27 o   28.722   8.6693 -8.735159 17.33863 
1 1 1    8   26   28 o   25.601   8.2676 -1.904547 16.53526 
1 1 1    8   27    0 x  ?   ?       ?      ? 
1 1 1    8   27    1 o  118.688   3.6937 -3.829674 7.387460 
1 1 1    8   27    2 o   40.688   8.2895 16.59824 16.57906 
1 1 1    8   27    3 o   91.391   4.5675 -3.008751 9.134909 
1 1 1    8   27    4 o   31.533   8.5833 -3.237753 17.16650 
1 1 1    8   27    5 o  129.171   3.0109 1.183884 6.021853 
1 1 1    8   27    6 o   93.431   4.0021 -6.987854 8.004128 
1 1 1    8   27    7 o   60.804   5.9042 3.817490 11.80837 
1 1 1    8   27    8 o   31.770   8.2345 -15.17539 16.46903 
1 1 1    8   27    9 o   25.066   7.2146 -7.841867 14.42921 
1 1 1    8   27   10 o  102.215   2.8873 -8.145737 5.774667 
1 1 1    8   27   11 o   64.942   4.3992 -6.009022 8.798379 
1 1 1    8   27   12 o   59.227   4.9332 -11.61178 9.866304 
1 1 1    8   27   13 o   80.769   3.5338 9.966721 7.067644 
1 1 1    8   27   14 o   94.463   3.2225 -16.39052 6.444969 
1 1 1    8   27   15 o   75.064   3.9832 3.974174 7.966488 
1 1 1    8   27   16 o  133.401   2.4234 -4.665863 4.846830 
1 1 1    8   27   17 o   18.689   6.2303 2.049988 12.46061 
1 1 1    8   27   18 o   57.958   7.5907 51.96622 15.18132 
1 1 1    8   27   19 o   31.709   7.9768 12.44834 15.95356 
1 1 1    8   27   20 o   16.778   5.8171 2.825768 11.63424 
1 1 1    8   27   21 o   33.968   8.2406 -2.469891 16.48120 
1 1 1    8   27   22 o   36.457   8.2897 12.33618 16.57933 
1 1 1    8   27   23 o   90.017   4.2811 3.947479 8.562169 
1 1 1    8   27   24 o   23.735   7.5884 4.262890 15.17681 
1 1 1    8   27   25 o   66.784   5.9604 -1.379135 11.92082 
1 1 1    8   27   26 o   20.207   6.9135 -6.036051 13.82691 
1 1 1    8   27   27 o   23.542   7.7762 -6.801874 15.55250 
1 1 1    8   28    0 o  280.364   3.3175 0.000000 0.000000 
1 1 1    8   28    1 o   24.348   7.5443 8.712812 15.08863 
1 1 1    8   28    2 o  126.576   3.1547 -3.536400 6.309396 
1 1 1    8   28    3 o  124.766   3.1960 -10.18032 6.391973 
1 1 1    8   28    4 o   64.902   6.0022 -3.333138 12.00431 
1 1 1    8   28    5 o  227.346   2.0983 -5.999710 4.196531 
1 1 1    8   28    6 o   52.726   6.7306 -11.27159 13.46113 
1 1 1    8   28    7 o  159.749   2.4668 -2.156448 4.933652 
1 1 1    8   28    8 o   25.673   7.4892 4.293839 14.97834 
1 1 1    8   28    9 o   73.132   3.9934 -5.763245 7.986827 
1 1 1    8   28   10 o   61.639   4.5984 -5.621040 9.196847 
1 1 1    8   28   11 o   96.993   2.9527 4.668022 5.905484 
1 1 1    8   28   12 o  156.120   2.1265 -1.458420 4.252950 
1 1 1    8   28   13 o   63.478   4.5194 0.5994530 9.038797 
1 1 1    8   28   14 o  113.843   2.6638 -5.133980 5.327566 
1 1 1    8   28   15 o   22.086   6.5093 -11.46601 13.01864 
1 1 1    8   28   16 o   69.905   5.7478 6.063736 11.49556 
1 1 1    8   28   17 o   83.263   3.9557 -8.220123 7.911353 
1 1 1    8   28   18 o   31.821   7.6576 -8.924210 15.31529 
1 1 1    8   28   19 o   18.699   6.3122 7.681191 12.62433 
1 1 1    8   28   20 o   61.497   5.4086 -6.729038 10.81727 
1 1 1    8   28   21 o   33.693   8.1136 -4.453449 16.22727 
1 1 1    8   28   22 o   26.070   7.7978 3.280228 15.59556 
1 1 1    8   28   23 o   29.569   7.9748 14.66569 15.94965 
1 1 1    8   28   24 o   88.503   4.3635 -4.305969 8.726922 
1 1 1    8   28   25 o   33.101   8.7064 -5.547441 17.41278 
1 1 1    8   28   26 o   61.285   8.3154 -25.83655 16.63071 
1 1 1    8   29    0 o  149.910   4.1413 0.000000 0.000000 
1 1 1    8   29    1 o  206.489   2.3102 -2.501175 4.620490 
1 1 1    8   29    2 o  176.598   2.3740 3.033127 4.748003 
1 1 1    8   29    3 o   85.082   4.2052 -3.910202 8.410299 
1 1 1    8   29    4 o  102.542   3.5315 12.36320 7.063047 
1 1 1    8   29    5 o   69.069   5.1564 2.714470 10.31280 
1 1 1    8   29    6 f  158.770   2.8325 -0.7573090 5.665015 
1 1 1    8   29    7 o   77.206   4.3629 2.745842 8.725878 
1 1 1    8   29    8 o   74.832   4.4991 9.718323 8.998169 
1 1 1    8   29    9 o   18.416   6.0540 -6.793162 12.10791 
1 1 1    8   29   10 o   63.631   4.7965 -27.80272 9.592929 
1 1 1    8   29   11 o  107.349   2.7892 -5.710663 5.578348 
1 1 1    8   29   12 o   41.168   7.0722 2.369862 14.14439 
1 1 1    8   29   13 o  104.429   2.8656 2.873734 5.731166 
1 1 1    8   29   14 o  108.249   3.1465 -30.62660 6.293096 
1 1 1    8   29   15 o  101.447   3.1586 9.611168 6.317170 
1 1 1    8   29   16 o   31.108   7.4347 18.01943 14.86933 
1 1 1    8   29   17 o   48.458   6.5244 -6.090237 13.04883 
1 1 1    8   29   18 o   53.872   5.6815 -2.219269 11.36296 
1 1 1    8   29   19 o  101.501   3.3327 7.729828 6.665389 
1 1 1    8   29   20 o   50.537   6.7451 2.940113 13.49020 
1 1 1    8   29   21 o   42.996   7.5742 -16.59807 15.14840 
1 1 1    8   29   22 o   19.547   6.5874 2.182325 13.17480 
1 1 1    8   29   23 o   28.602   8.2202 4.049614 16.44032 
1 1 1    8   29   24 o   16.997   5.9510 0.9833012 11.90205 
1 1 1    8   29   25 o   56.585   9.6616 -31.60563 19.32324 
1 1 1    8   30    0 o   24.776   11.068 0.000000 0.000000 
1 1 1    8   30    1 o   36.139   8.9864 -1.846794 17.97286 
1 1 1    8   30    2 o   89.590   3.9848 -9.071976 7.969656 
1 1 1    8   30    3 o   29.028   7.9704 -8.137234 15.94079 
1 1 1    8   30    4 o   77.985   4.3941 -5.091621 8.788264 
1 1 1    8   30    5 o  114.660   3.0361 -16.66826 6.072159 
1 1 1    8   30    6 f   48.132   7.0004 10.07463 14.00079 
1 1 1    8   30    7 o   16.924   5.8526 -1.862061 11.70519 
1 1 1    8   30    8 o   57.544   6.0726 -17.01422 12.14527 
1 1 1    8   30    9 o   56.634   5.0836 4.421295 10.16713 
1 1 1    8   30   10 f  189.725   1.9943 7.242325 3.988522 
1 1 1    8   30   11 o   21.816   6.6414 10.50291 13.28288 
1 1 1    8   30   12 o   82.121   5.1337 -15.18652 10.26746 
1 1 1    8   30   13 o  136.426   2.4329 10.62662 4.865869 
1 1 1    8   30   14 f   50.504   6.1449 -5.050095 12.28974 
1 1 1    8   30   15 o   22.427   6.7554 12.77894 13.51075 
1 1 1    8   30   16 o   60.353   4.9646 5.972870 9.929294 
1 1 1    8   30   17 o   91.328   3.5141 7.846161 7.028242 
1 1 1    8   30   18 o  125.333   2.7058 -4.194145 5.411532 
1 1 1    8   30   19 o   18.366   6.2332 6.861799 12.46645 
1 1 1    8   30   20 o   79.134   4.4308 -2.212807 8.861653 
1 1 1    8   30   21 o   21.743   6.9584 -7.225712 13.91676 
1 1 1    8   30   22 o   19.654   6.6209 6.048325 13.24183 
1 1 1    8   30   23 o   67.312   5.4616 -2.476860 10.92325 
1 1 1    8   30   24 x  ?   ?       ?      ? 
1 1 1    8   31    0 o   31.725   11.994 0.000000 0.000000 
1 1 1    8   31    1 o   88.051   4.0197 14.65220 8.039414 
1 1 1    8   31    2 o  128.054   2.8760 -1.024055 5.752092 
1 1 1    8   31    3 f   47.172   7.0809 10.99643 14.16178 
1 1 1    8   31    4 o  128.004   2.7220 9.869774 5.444012 
1 1 1    8   31    5 o   40.777   7.9033 -10.97003 15.80652 
1 1 1    8   31    6 o  148.175   2.5066 1.164642 5.013179 
1 1 1    8   31    7 o   18.029   6.1138 1.588219 12.22768 
1 1 1    8   31    8 o   52.851   6.4394 -9.346157 12.87873 
1 1 1    8   31    9 o  145.718   2.7140 -20.23792 5.428050 
1 1 1    8   31   10 o   34.979   6.4723 31.35531 12.94454 
1 1 1    8   31   11 o   72.841   4.1546 0.6036224 8.309221 
1 1 1    8   31   12 o  121.201   2.5993 0.7183838E-01 5.198594 
1 1 1    8   31   13 o   27.063   7.4107 -0.6770325 14.82147 
1 1 1    8   31   14 o   82.780   3.6550 -9.564270 7.309952 
1 1 1    8   31   15 o   28.993   7.8334 2.198946 15.66689 
1 1 1    8   31   16 f   35.582   7.5426 -11.34658 15.08517 
1 1 1    8   31   17 o   19.343   6.4214 2.220091 12.84274 
1 1 1    8   31   18 o   21.733   7.0172 4.479029 14.03442 
1 1 1    8   31   19 o   20.134   6.6934 1.555935 13.38677 
1 1 1    8   31   20 o   42.064   7.8158 -15.84342 15.63164 
1 1 1    8   31   21 o   35.726   8.0968 19.79679 16.19356 
1 1 1    8   31   22 o   85.025   4.7557 -14.16950 9.511472 
1 1 1    8   32    0 o   92.245   7.5443 0.000000 0.000000 
1 1 1    8   32    1 o  109.618   3.7414 -2.554543 7.482850 
1 1 1    8   32    2 o  135.563   3.7217 -7.620209 7.443323 
1 1 1    8   32    3 o   66.961   5.9796 2.808846 11.95920 
1 1 1    8   32    4 o   95.397   3.7473 -17.34332 7.494513 
1 1 1    8   32    5 x  ?   ?       ?      ? 
1 1 1    8   32    6 o   89.819   3.8672 -1.537781 7.734334 
1 1 1    8   32    7 o   79.476   4.2320 -12.56566 8.463943 
1 1 1    8   32    8 o  128.428   2.7065 1.655273 5.412921 
1 1 1    8   32    9 o   39.137   7.4129 4.161392 14.82579 
1 1 1    8   32   10 o  102.225   3.0347 4.583290 6.069311 
1 1 1    8   32   11 o   26.903   7.2893 7.788416 14.57869 
1 1 1    8   32   12 o  101.276   2.9782 1.334000 5.956417 
1 1 1    8   32   13 o   54.938   6.3985 -30.46653 12.79691 
1 1 1    8   32   14 o  100.325   4.1829      ?      ? 
1 1 1    8   32   15 o   31.085   7.8137 6.550707 15.62745 
1 1 1    8   32   16 o   30.274   7.9230 6.377470 15.84608 
1 1 1    8   32   17 o   37.600   8.0386 11.30666 16.07711 
1 1 1    8   32   18 o   20.360   6.7107 -2.765539 13.42132 
1 1 1    8   32   19 o   65.385   5.6088 -6.401104 11.21755 
1 1 1    8   32   20 o   49.222   7.1753 -15.97748 14.35060 
1 1 1    8   32   21 o   28.143   7.6926 -15.42480 15.38524 
1 1 1    8   33    0 o   15.495   7.7974 0.000000 0.000000 
1 1 1    8   33    1 o   66.582   5.5148 23.73336 11.02953 
1 1 1    8   33    2 o   30.839   7.7496 -14.80947 15.49925 
1 1 1    8   33    3 o   81.682   4.3096 9.093956 8.619115 
1 1 1    8   33    4 o  108.860   3.2386 -2.306877 6.477251 
1 1 1    8   33    5 o   26.701   7.5921 -14.62822 15.18419 
1 1 1    8   33    6 f  103.357   3.4643 3.995911 6.928600 
1 1 1    8   33    7 o   51.315   6.9831 -6.128448 13.96626 
1 1 1    8   33    8 o   35.719   8.8957 -1.083546 17.79148 
1 1 1    8   33    9 o   43.309   7.1266 -0.9325714 14.25311 
1 1 1    8   33   10 o   74.587   5.5449 -12.72757 11.08987 
1 1 1    8   33   11 o   38.948   7.3134 8.807484 14.62685 
1 1 1    8   33   12 o   39.356   7.3712 11.67566 14.74235 
1 1 1    8   33   13 o   68.627   4.5698 4.560265 9.139567 
1 1 1    8   33   14 o   20.712   6.7017 -3.338102 13.40347 
1 1 1    8   33   15 o   52.431   6.5557 -6.948635 13.11133 
1 1 1    8   33   16 o   72.488   4.8148 -6.769943 9.629609 
1 1 1    8   33   17 o   55.172   6.5503 -14.56413 13.10056 
1 1 1    8   33   18 o   83.797   4.1533 1.056915 8.306543 
1 1 1    8   33   19 o   25.484   7.5021 -4.775276 15.00426 
1 1 1    8   34    0 o   62.759   9.5358 0.000000 0.000000 
1 1 1    8   34    1 o   27.170   7.6759 -11.66173 15.35185 
1 1 1    8   34    2 o   65.567   6.2215 0.4802170 12.44293 
1 1 1    8   34    3 f   95.386   3.8027 3.291458 7.605446 
1 1 1    8   34    4 o   26.207   7.3964 13.08459 14.79284 
1 1 1    8   34    5 o   87.054   4.0260 -13.66431 8.051908 
1 1 1    8   34    6 o  106.937   3.3639 1.415970 6.727863 
1 1 1    8   34    7 x  ?   ?       ?      ? 
1 1 1    8   34    8 o   25.346   7.6140 -6.897806 15.22801 
1 1 1    8   34    9 o   28.990   7.6483 -4.358738 15.29659 
1 1 1    8   34   10 o   27.542   7.3646 -12.08769 14.72927 
1 1 1    8   34   11 o   34.362   7.6179 -11.84134 15.23584 
1 1 1    8   34   12 o   17.644   5.9646 -5.591353 11.92918 
1 1 1    8   34   13 o   27.958   7.8112 0.8529663 15.62230 
1 1 1    8   34   14 o   37.192   7.9623 -11.05825 15.92460 
1 1 1    8   34   15 f   26.854   7.7522 11.08583 15.50436 
1 1 1    8   34   16 o   34.478   8.2450 11.40108 16.49003 
1 1 1    8   34   17 o   52.107   7.6400 -18.50981 15.27994 
1 1 1    8   35    0 o   30.123   12.055 0.000000 0.000000 
1 1 1    8   35    1 o   26.486   7.9227 -3.822838 15.84542 
1 1 1    8   35    2 o   35.938   7.9474 -18.88024 15.89484 
1 1 1    8   35    3 o   55.331   6.8175 -15.02837 13.63490 
1 1 1    8   35    4 o   23.160   7.3072 -8.298447 14.61450 
1 1 1    8   35    5 f   32.839   8.3581 5.833696 16.71613 
1 1 1    8   35    6 o   56.317   6.8972 26.09352 13.79433 
1 1 1    8   35    7 o   44.959   7.5884 22.02168 15.17671 
1 1 1    8   35    8 o   33.022   8.2569 -5.189322 16.51373 
1 1 1    8   35    9 o   44.713   7.5107 18.15391 15.02135 
1 1 1    8   35   10 o   62.390   5.2726 -4.084309 10.54522 
1 1 1    8   35   11 o   40.354   7.8933 -10.14152 15.78652 
1 1 1    8   35   12 o   45.091   7.4141 -19.03463 14.82814 
1 1 1    8   35   13 o   47.803   7.3590 6.374588 14.71796 
1 1 1    8   35   14 o   27.959   7.4300 21.85173 14.86001 
1 1 1    8   35   15 o   16.109   5.6177 0.9358511 11.23539 
1 1 1    8   36    0 o   18.967   9.3161 0.000000 0.000000 
1 1 1    8   36    1 o  100.740   3.7008 -6.148422 7.401538 
1 1 1    8   36    2 o   39.939   8.4164 -5.546394 16.83286 
1 1 1    8   36    3 o   37.200   8.2417 -15.74594 16.48334 
1 1 1    8   36    4 o   43.700   7.8638 -19.53571 15.72757 
1 1 1    8   36    5 o   35.244   8.1052 12.59081 16.21038 
1 1 1    8   36    6 o   43.556   8.2611 3.079918 16.52222 
1 1 1    8   36    7 o   25.293   7.6824 -10.84891 15.36481 
1 1 1    8   36    8 o   81.535   4.5094 3.270538 9.018709 
1 1 1    8   36    9 o   38.015   7.6362 -28.17594 15.27250 
1 1 1    8   36   10 o   55.666   5.9065 11.03443 11.81294 
1 1 1    8   36   11 o   22.344   6.9197 -5.819208 13.83948 
1 1 1    8   36   12 o   26.007   7.5412 -6.122458 15.08249 
1 1 1    8   37    0 o   20.329   9.6819 0.000000 0.000000 
1 1 1    8   37    1 o   28.333   8.0187 1.007275 16.03732 
1 1 1    8   37    2 o   23.746   7.5008 1.001200 15.00164 
1 1 1    8   37    3 o   34.249   8.3322 0.3493767 16.66438 
1 1 1    8   37    4 o   23.892   7.4195 2.297220 14.83891 
1 1 1    8   37    5 o   46.468   7.4367 -19.26388 14.87348 
1 1 1    8   37    6 o   29.437   7.7129 -17.69782 15.42583 
1 1 1    8   37    7 o   19.585   6.5582 -9.836602 13.11638 
1 1 1    8   37    8 o   43.650   9.6125 -7.404476 19.22499 
1 1 1    8   37    9 x  ?   ?       ?      ? 
1 1 1    8   38    0 x  ?   ?       ?      ? 
1 1 1    8   38    1 x  ?   ?       ?      ? 
1 1 1    8   38    2 x  ?   ?       ?      ? 
1 1 1    9    0    1 o  211.308   1.6902 0.000000 0.000000 
1 1 1    9    0    2 o  287.367   2.1894 0.000000 0.000000 
1 1 1    9    0    3 o   71.626   1.8924 0.000000 0.000000 
1 1 1    9    0    4 o  158.511   1.5204 0.000000 0.000000 
1 1 1    9    0    5 o   88.076   1.8440 0.000000 0.000000 
1 1 1    9    0    6 o   96.695   1.8846 0.000000 0.000000 
1 1 1    9    0    7 o  454.983   3.4106 0.000000 0.000000 
1 1 1    9    0    8 o  552.885   4.1222 0.000000 0.000000 
1 1 1    9    0    9 f  860.180   6.3818 0.000000 0.000000 
1 1 1    9    0   10 o  116.393   2.9929 0.000000 0.000000 
1 1 1    9    0   11 o  284.962   2.3094 0.000000 0.000000 
1 1 1    9    0   12 o   27.566   7.9191 0.000000 0.000000 
1 1 1    9    0   13 o  129.904   2.3422 0.000000 0.000000 
1 1 1    9    0   14 o  551.693   5.0951 0.000000 0.000000 
1 1 1    9    0   15 o  301.373   2.9343 0.000000 0.000000 
1 1 1    9    0   16 o  633.226   5.5154 0.000000 0.000000 
1 1 1    9    0   17 o  220.493   2.9391 0.000000 0.000000 
1 1 1    9    0   18 o  290.228   3.2742 0.000000 0.000000 
1 1 1    9    0   19 o  298.412   3.4003 0.000000 0.000000 
1 1 1    9    0   20 o  141.775   4.0880 0.000000 0.000000 
1 1 1    9    0   21 o  806.542   7.4036 0.000000 0.000000 
1 1 1    9    0   22 o  342.499   3.6830 0.000000 0.000000 
1 1 1    9    0   23 o   15.353   8.1217 0.000000 0.000000 
1 1 1    9    0   24 f  167.327   5.0353 0.000000 0.000000 
1 1 1    9    0   25 o  381.714   4.4485 0.000000 0.000000 
1 1 1    9    0   26 o  112.654   8.7651 0.000000 0.000000 
1 1 1    9    0   27 o  128.235   6.6159 0.000000 0.000000 
1 1 1    9    0   28 o   20.766   10.401 0.000000 0.000000 
1 1 1    9    0   29 o   24.143   11.737 0.000000 0.000000 
1 1 1    9    0   30 o   26.924   12.628 0.000000 0.000000 
1 1 1    9    0   31 o   69.383   12.878 0.000000 0.000000 
1 1 1    9    0   32 f  116.591   6.8350 0.000000 0.000000 
1 1 1    9    0   33 o   22.350   10.891 0.000000 0.000000 
1 1 1    9    0   34 o   38.665   13.340 0.000000 0.000000 
1 1 1    9    0   35 o  106.728   6.9560 0.000000 0.000000 
1 1 1    9    0   36 o   21.159   10.431 0.000000 0.000000 
1 1 1    9    0   37 o   84.271   10.716 0.000000 0.000000 
1 1 1    9    0   38 o   22.563   10.908 0.000000 0.000000 
1 1 1    9    1    0 o  559.454   4.1471 0.000000 0.000000 
1 1 1    9    1    1 o  437.052   2.2998 1.338013 4.599586 
1 1 1    9    1    2 o  658.194   3.4445 6.753174 6.889048 
1 1 1    9    1    3 o  312.521   1.6758 -0.8972168E-02 3.351533 
1 1 1    9    1    4 o  406.566   2.1508 -1.767944 4.301585 
1 1 1    9    1    5 o  650.954   3.4113 -0.5709229 6.822561 
1 1 1    9    1    6 o  266.076   1.4841 -2.228638 2.968291 
1 1 1    9    1    7 o  156.771   1.1927 3.667847 2.385361 
1 1 1    9    1    8 o  241.591   1.4196 0.7276917E-01 2.839187 
1 1 1    9    1    9 o  503.454   2.6641 1.681091 5.328230 
1 1 1    9    1   10 o   96.284   1.7339 -0.4285431E-01 3.467880 
1 1 1    9    1   11 o  390.719   2.1118 -4.203156 4.223671 
1 1 1    9    1   12 o  421.662   2.2677 -1.299469 4.535366 
1 1 1    9    1   13 o  144.270   1.5133 -2.462219 3.026525 
1 1 1    9    1   14 o  205.429   1.5919 -0.6450348 3.183781 
1 1 1    9    1   15 o  510.034   2.9693 -4.054718 5.938684 
1 1 1    9    1   16 o  625.210   3.3215 -0.9967041 6.642962 
1 1 1    9    1   17 o  443.386   2.4574 -2.281525 4.914785 
1 1 1    9    1   18 o  378.868   2.2221 -0.8928528 4.444270 
1 1 1    9    1   19 o  457.234   2.9493 -20.21906 5.898642 
1 1 1    9    1   20 o  801.884   4.2460 -6.494812 8.491946 
1 1 1    9    1   21 o  372.996   4.5875      ?      ? 
1 1 1    9    1   22 o  477.249   2.9497 3.258636 5.899427 
1 1 1    9    1   23 o  223.112   2.8163 -9.490875 5.632499 
1 1 1    9    1   24 o   52.092   10.292 13.76180 20.58484 
1 1 1    9    1   25 o   66.531   9.0528 12.31380 18.10555 
1 1 1    9    1   26 o  184.775   3.4082 10.85907 6.816476 
1 1 1    9    1   27 o  169.646   3.9204 -1.497971 7.840797 
1 1 1    9    1   28 o  115.425   5.3639 -8.209404 10.72782 
1 1 1    9    1   29 o   26.845   8.8436 0.9107819 17.68717 
1 1 1    9    1   30 o  163.125   3.6941 12.94502 7.388135 
1 1 1    9    1   31 o   39.667   10.035 -16.50395 20.07017 
1 1 1    9    1   32 o   57.441   9.6952 -5.425522 19.39044 
1 1 1    9    1   33 o   73.268   7.8588 -5.744667 15.71750 
1 1 1    9    1   34 f   41.623   9.8014 16.11040 19.60289 
1 1 1    9    1   35 o   48.043   9.6836 15.16853 19.36719 
1 1 1    9    1   36 o   47.827   10.258 6.552273 20.51557 
1 1 1    9    1   37 o   56.950   9.4663 -28.43840 18.93259 
1 1 1    9    1   38 o   28.928   8.9073 -6.116499 17.81466 
1 1 1    9    2    0 o  444.379   3.3078 0.000000 0.000000 
1 1 1    9    2    1 o  504.007   2.6456 3.164917 5.291131 
1 1 1    9    2    2 o  173.026   1.0631 3.877487 2.126232 
1 1 1    9    2    3 o  110.260   1.0477 3.645149 2.095356 
1 1 1    9    2    4 o  548.781   2.8807 -3.068298 5.761436 
1 1 1    9    2    5 o  203.385   1.2228 -1.143234 2.445697 
1 1 1    9    2    6 o  359.168   1.9238 1.565338 3.847538 
1 1 1    9    2    7 f  316.783   1.8641 -0.7869568 3.728296 
1 1 1    9    2    8 o   96.739   1.4556 -2.197701 2.911264 
1 1 1    9    2    9 o  280.821   1.5886 -0.7931213 3.177197 
1 1 1    9    2   10 o  248.203   1.4777 0.9602356 2.955482 
1 1 1    9    2   11 o  194.475   1.9376 -0.2310181 3.875105 
1 1 1    9    2   12 o  452.757   2.6125 8.173065 5.225064 
1 1 1    9    2   13 o  241.600   1.6013 -1.578339 3.202664 
1 1 1    9    2   14 o  202.884   1.8349 -4.219833 3.669878 
1 1 1    9    2   15 o  112.366   2.7452 2.906982 5.490421 
1 1 1    9    2   16 o  258.011   1.7815 -4.348175 3.562919 
1 1 1    9    2   17 o  499.424   2.9495 -4.038269 5.899082 
1 1 1    9    2   18 o  296.349   1.9305 -0.6804810 3.860960 
1 1 1    9    2   19 o  133.521   2.6063 0.3461304 5.212652 
1 1 1    9    2   20 o  140.865   2.8974 4.553452 5.794706 
1 1 1    9    2   21 o  416.204   5.0795      ?      ? 
1 1 1    9    2   22 o  230.748   2.2983 -1.229065 4.596641 
1 1 1    9    2   23 o  405.044   2.7728 0.1079712 5.545659 
1 1 1    9    2   24 o   21.889   7.5901 -7.244318 15.18026 
1 1 1    9    2   25 o  123.117   4.7794 -16.87827 9.558706 
1 1 1    9    2   26 o  181.524   3.4807 -2.454376 6.961486 
1 1 1    9    2   27 o   36.180   10.190 4.844082 20.38078 
1 1 1    9    2   28 o  115.795   5.6769 -4.133804 11.35383 
1 1 1    9    2   29 o  126.563   4.9119 9.245628 9.823782 
1 1 1    9    2   30 o   39.845   10.336 2.536522 20.67295 
1 1 1    9    2   31 o  101.080   5.6066 -13.91383 11.21317 
1 1 1    9    2   32 o  118.163   4.8185 -17.46217 9.637027 
1 1 1    9    2   33 o   65.581   8.9942 -3.969044 17.98840 
1 1 1    9    2   34 o   33.411   9.6930 -9.464090 19.38592 
1 1 1    9    2   35 o   66.100   7.9270 5.675636 15.85405 
1 1 1    9    2   36 o   25.187   8.3019 7.183554 16.60387 
1 1 1    9    2   37 o   88.043   6.4020 -1.199310 12.80407 
1 1 1    9    2   38 o   25.024   8.0604 -8.473801 16.12081 
1 1 1    9    3    0 o  385.165   2.8815 0.000000 0.000000 
1 1 1    9    3    1 o  142.607   0.9951 -3.212585 1.990211 
1 1 1    9    3    2 o  338.215   1.8016 -8.394501 3.603194 
1 1 1    9    3    3 o  425.671   2.2461 3.844971 4.492283 
1 1 1    9    3    4 o  163.426   1.0987 -3.985306 2.197484 
1 1 1    9    3    5 o  279.465   1.5355 -2.604950 3.071023 
1 1 1    9    3    6 o  302.170   1.6498 -0.4779053 3.299503 
1 1 1    9    3    7 o  361.172   1.9418 2.174866 3.883697 
1 1 1    9    3    8 o  463.214   2.4563 2.072540 4.912682 
1 1 1    9    3    9 o  145.672   1.3775 5.371872 2.755001 
1 1 1    9    3   10 o  297.089   1.6732 0.3202209 3.346485 
1 1 1    9    3   11 o  213.926   1.5246 -2.202438 3.049150 
1 1 1    9    3   12 o  213.533   1.6252 -3.559555 3.250444 
1 1 1    9    3   13 o  137.044   1.6708 -3.316574 3.341527 
1 1 1    9    3   14 o  507.235   2.7949 -4.593903 5.589760 
1 1 1    9    3   15 o  204.209   1.7192 -2.188522 3.438395 
1 1 1    9    3   16 o  208.960   1.7458 2.611572 3.491636 
1 1 1    9    3   17 f   57.287   5.0150 -0.3073311 10.02994 
1 1 1    9    3   18 o  256.476   1.9055 0.9711914 3.811009 
1 1 1    9    3   19 o  304.301   2.2049 -2.163940 4.409847 
1 1 1    9    3   20 o  136.366   2.9190 7.406570 5.837990 
1 1 1    9    3   21 f  200.299   3.3212 1.262054 6.642350 
1 1 1    9    3   22 o  249.580   2.6096 -14.16977 5.219295 
1 1 1    9    3   23 o  296.930   2.6687 -14.26932 5.337395 
1 1 1    9    3   24 o   40.274   10.127 -20.39097 20.25313 
1 1 1    9    3   25 o  172.810   3.7635 -0.2145844 7.527040 
1 1 1    9    3   26 o   52.483   11.876 -18.71721 23.75264 
1 1 1    9    3   27 o  129.924   4.6632 -0.3832092 9.326467 
1 1 1    9    3   28 o  192.484   3.2596 7.079865 6.519265 
1 1 1    9    3   29 o   56.643   9.6657 12.45517 19.33149 
1 1 1    9    3   30 o   55.061   10.100 7.924229 20.19944 
1 1 1    9    3   31 o  156.455   3.6867 3.123596 7.373343 
1 1 1    9    3   32 o   29.003   9.1450 2.442299 18.29004 
1 1 1    9    3   33 o   38.783   10.062 16.48860 20.12335 
1 1 1    9    3   34 o   53.265   9.8793 19.22646 19.75868 
1 1 1    9    3   35 o   64.135   9.0009 -1.827812 18.00174 
1 1 1    9    3   36 o   32.242   9.2066 18.09011 18.41320 
1 1 1    9    3   37 o   74.290   7.8525 -18.90638 15.70504 
1 1 1    9    3   38 o   66.348   7.2198 11.87841 14.43958 
1 1 1    9    4    0 o  570.555   4.2331 0.000000 0.000000 
1 1 1    9    4    1 o   76.269   1.2567 -1.529007 2.513462 
1 1 1    9    4    2 o  107.367   1.0341 -1.951637 2.068270 
1 1 1    9    4    3 o  334.469   1.7878 2.412231 3.575541 
1 1 1    9    4    4 o  549.578   2.8863 0.5502930 5.772570 
1 1 1    9    4    5 o  137.546   1.0988 -0.7186890E-01 2.197515 
1 1 1    9    4    6 o  634.508   3.3306 1.081299 6.661113 
1 1 1    9    4    7 o  402.058   2.1452 6.837494 4.290365 
1 1 1    9    4    8 o  223.240   1.3576 0.9960938E-01 2.715206 
1 1 1    9    4    9 o  377.130   2.0361 -0.8685303E-01 4.072155 
1 1 1    9    4   10 o  313.779   1.7466 1.423279 3.493298 
1 1 1    9    4   11 o  366.230   1.9976 -2.687622 3.995272 
1 1 1    9    4   12 o  347.660   1.9890 1.936707 3.978042 
1 1 1    9    4   13 o  318.043   2.1565 0.9399414E-02 4.313080 
1 1 1    9    4   14 o  392.866   2.5081 -6.031189 5.016120 
1 1 1    9    4   15 o  219.897   1.9363 -8.445450 3.872504 
1 1 1    9    4   16 o  202.733   1.7939 1.751846 3.587749 
1 1 1    9    4   17 o   30.464   7.4728 12.81186 14.94565 
1 1 1    9    4   18 o   58.399   5.3940 2.594776 10.78802 
1 1 1    9    4   19 o  101.585   4.0537 9.761276 8.107475 
1 1 1    9    4   20 o  304.713   2.1256 -2.063049 4.251282 
1 1 1    9    4   21 o  258.155   2.6318 -2.707458 5.263579 
1 1 1    9    4   22 x  ?   ?       ?      ? 
1 1 1    9    4   23 o  125.382   4.4085 -8.273346 8.816962 
1 1 1    9    4   24 o  152.100   4.7325 -2.692062 9.465008 
1 1 1    9    4   25 o  163.507   3.6472 0.9141235 7.294395 
1 1 1    9    4   26 o  318.130   3.4073 -3.452820 6.814655 
1 1 1    9    4   27 o   73.956   7.6011 5.360062 15.20211 
1 1 1    9    4   28 o   29.279   9.2251 -6.615353 18.45021 
1 1 1    9    4   29 o  130.164   4.2149 0.4265289 8.429735 
1 1 1    9    4   30 o  141.885   3.7583 -0.5011444 7.516540 
1 1 1    9    4   31 o   61.032   8.6820 20.88729 17.36396 
1 1 1    9    4   32 o  232.798   2.8393 -10.41711 5.678499 
1 1 1    9    4   33 o   28.610   9.1267 -4.513403 18.25349 
1 1 1    9    4   34 o  122.976   4.8005 -13.78622 9.600947 
1 1 1    9    4   35 o   36.317   10.230 5.378262 20.45916 
1 1 1    9    4   36 o   66.713   8.2904 -4.298943 16.58088 
1 1 1    9    4   37 o   76.129   7.2930 -2.114037 14.58607 
1 1 1    9    4   38 o   38.304   9.0577 -17.54317 18.11544 
1 1 1    9    5    0 o  454.307   3.3845 0.000000 0.000000 
1 1 1    9    5    1 o  352.094   1.8732 -0.8897095 3.746476 
1 1 1    9    5    2 o  315.877   1.6956 -4.114349 3.391185 
1 1 1    9    5    3 o  248.694   1.3860 3.197128 2.771934 
1 1 1    9    5    4 o  386.830   2.0568 -2.309082 4.113564 
1 1 1    9    5    5 o  771.287   4.0411 -2.228149 8.082192 
1 1 1    9    5    6 o  380.093   2.0326 -1.418945 4.065241 
1 1 1    9    5    7 o  396.229   2.1168 3.517303 4.233570 
1 1 1    9    5    8 o  315.164   1.7340 4.192047 3.468011 
1 1 1    9    5    9 o  308.950   1.7187 0.6157227 3.437324 
1 1 1    9    5   10 o  218.176   1.4074 -0.8809814 2.814871 
1 1 1    9    5   11 o  469.155   2.7025 3.847656 5.404901 
1 1 1    9    5   12 o  377.557   2.3972 -12.19293 4.794466 
1 1 1    9    5   13 o  145.333   2.9974      ?      ? 
1 1 1    9    5   14 o  702.676   4.0000 -5.775513 7.999970 
1 1 1    9    5   15 o  151.150   1.9700 1.381760 3.939960 
1 1 1    9    5   16 o  157.229   2.4548 20.26851 4.909559 
1 1 1    9    5   17 o  252.268   1.8461 1.624802 3.692170 
1 1 1    9    5   18 o  575.704   3.5719 -19.71460 7.143850 
1 1 1    9    5   19 o  310.518   2.4237 -0.8515930 4.847327 
1 1 1    9    5   20 o  344.838   2.7065 -13.73773 5.413013 
1 1 1    9    5   21 o  219.598   2.5833 1.033096 5.166590 
1 1 1    9    5   22 o  120.257   4.7721 -8.815758 9.544157 
1 1 1    9    5   23 o  155.631   3.5705 4.404434 7.140924 
1 1 1    9    5   24 o  279.993   5.3519      ?      ? 
1 1 1    9    5   25 o   72.121   8.2134 12.36591 16.42682 
1 1 1    9    5   26 o  152.852   4.2805 -10.05438 8.560954 
1 1 1    9    5   27 o  182.914   3.2587 -4.759735 6.517423 
1 1 1    9    5   28 o   93.356   6.0635 -15.56323 12.12699 
1 1 1    9    5   29 o  103.682   5.1711 0.7333221 10.34219 
1 1 1    9    5   30 o   57.608   8.8979 -13.05190 17.79585 
1 1 1    9    5   31 o  152.180   3.4836 0.6095886 6.967230 
1 1 1    9    5   32 o  144.382   3.6856 4.769760 7.371101 
1 1 1    9    5   33 o   53.071   9.5773 11.86452 19.15457 
1 1 1    9    5   34 f   72.856   8.2403 27.34311 16.48061 
1 1 1    9    5   35 f   84.454   6.8435 -3.624031 13.68692 
1 1 1    9    5   36 o   86.194   6.6654 9.307907 13.33083 
1 1 1    9    5   37 o   50.505   10.120 3.701118 20.23914 
1 1 1    9    5   38 o   77.947   7.5866 38.47469 15.17319 
1 1 1    9    6    0 o  292.638   2.2389 0.000000 0.000000 
1 1 1    9    6    1 o  248.387   1.3781 0.8367615 2.756101 
1 1 1    9    6    2 f   79.164   1.2896 -6.154839 2.579210 
1 1 1    9    6    3 o  465.562   2.4557 -3.200714 4.911386 
1 1 1    9    6    4 o  594.625   3.1237 6.412476 6.247329 
1 1 1    9    6    5 o  250.409   1.4201 -0.9258118 2.840130 
1 1 1    9    6    6 o  273.412   1.5300 3.853638 3.060024 
1 1 1    9    6    7 o   64.516   1.9702 -3.472534 3.940406 
1 1 1    9    6    8 o  179.648   1.2514 1.788330 2.502860 
1 1 1    9    6    9 o  339.004   1.8570 2.516815 3.714064 
1 1 1    9    6   10 o  549.947   3.1447 -0.4995728 6.289346 
1 1 1    9    6   11 o  629.495   3.9349 4.901001 7.869767 
1 1 1    9    6   12 f  173.099   1.9403 4.442978 3.880650 
1 1 1    9    6   13 o  146.236   1.9737 4.598495 3.947329 
1 1 1    9    6   14 o  370.380   2.2382 -3.757599 4.476420 
1 1 1    9    6   15 o  267.569   1.7849 0.5601807 3.569896 
1 1 1    9    6   16 o  453.942   2.5642 0.6752014 5.128467 
1 1 1    9    6   17 o  139.489   2.2720 -4.603134 4.544080 
1 1 1    9    6   18 o  113.611   3.5518 -7.526207 7.103521 
1 1 1    9    6   19 o  233.666   2.2311 -10.39169 4.462234 
1 1 1    9    6   20 o  381.514   2.5362 6.717896 5.072485 
1 1 1    9    6   21 o  447.678   2.7257 -6.032837 5.451395 
1 1 1    9    6   22 o  152.132   5.8208 123.8891 11.64163 
1 1 1    9    6   23 o  233.632   2.6117 0.9721985 5.223345 
1 1 1    9    6   24 o  206.638   3.0375 3.299591 6.075004 
1 1 1    9    6   25 o  153.763   3.8022 -8.739731 7.604478 
1 1 1    9    6   26 f  262.054   2.6915 -3.708038 5.383081 
1 1 1    9    6   27 o  156.316   3.8316 -1.891205 7.663188 
1 1 1    9    6   28 o  175.652   3.2769 -0.3964539 6.553837 
1 1 1    9    6   29 o  178.807   3.2259 10.29843 6.451838 
1 1 1    9    6   30 f   38.716   10.006 4.005455 20.01129 
1 1 1    9    6   31 f   28.094   8.7728 -9.829601 17.54566 
1 1 1    9    6   32 o  103.340   4.9679 -9.189102 9.935836 
1 1 1    9    6   33 o   82.550   6.2741 -7.004211 12.54821 
1 1 1    9    6   34 o   91.050   5.7999 4.466599 11.59977 
1 1 1    9    6   35 o  123.889   4.5325 7.477112 9.065023 
1 1 1    9    6   36 o   64.475   9.3637 21.33335 18.72735 
1 1 1    9    6   37 o   35.917   10.086 1.101185 20.17285 
1 1 1    9    6   38 o   55.905   8.4611 22.18445 16.92220 
1 1 1    9    7    0 f  170.364   1.5717 0.000000 0.000000 
1 1 1    9    7    1 o  493.895   2.5999 -3.061127 5.199745 
1 1 1    9    7    2 o  413.183   2.1886 -3.829681 4.377179 
1 1 1    9    7    3 o  443.434   2.3445 3.649200 4.689031 
1 1 1    9    7    4 o  474.289   2.5051 -0.2837830 5.010174 
1 1 1    9    7    5 o  372.099   1.9916 3.417480 3.983169 
1 1 1    9    7    6 o  180.118   1.3560 0.3798828 2.711908 
1 1 1    9    7    7 o   88.554   1.4841 -1.262070 2.968157 
1 1 1    9    7    8 f  308.868   1.7139 5.182953 3.427701 
1 1 1    9    7    9 o  161.263   1.6173 10.98787 3.234581 
1 1 1    9    7   10 o  656.291   3.9937 3.082275 7.987472 
1 1 1    9    7   11 o  486.857   3.0716 1.576080 6.143212 
1 1 1    9    7   12 o  623.935   3.5576 -2.332886 7.115163 
1 1 1    9    7   13 o  272.372   1.7336 2.641632 3.467275 
1 1 1    9    7   14 o  221.316   1.6579 6.842209 3.315892 
1 1 1    9    7   15 o  228.166   1.7466 -0.4199219 3.493187 
1 1 1    9    7   16 o  368.245   2.1905 0.9236450 4.381067 
1 1 1    9    7   17 o  429.364   2.4162 -0.8337097 4.832455 
1 1 1    9    7   18 o   47.790   7.6465 9.214191 15.29306 
1 1 1    9    7   19 f  257.767   2.1651 -5.975204 4.330167 
1 1 1    9    7   20 o  433.037   3.2723 3.498657 6.544567 
1 1 1    9    7   21 o  258.249   2.4916 -1.353943 4.983265 
1 1 1    9    7   22 x  ?   ?       ?      ? 
1 1 1    9    7   23 o  425.199   2.7253 0.6615906 5.450549 
1 1 1    9    7   24 o  144.189   3.8861 -17.07797 7.772217 
1 1 1    9    7   25 o  127.477   4.5583 3.254639 9.116528 
1 1 1    9    7   26 o   36.884   9.8864 -22.63327 19.77280 
1 1 1    9    7   27 o   89.889   6.5636 13.79404 13.12718 
1 1 1    9    7   28 o  191.020   3.2200 7.383972 6.439941 
1 1 1    9    7   29 o  150.516   3.6323 -2.109802 7.264521 
1 1 1    9    7   30 o   26.398   8.4659 4.315681 16.93176 
1 1 1    9    7   31 o   69.125   7.4728 -24.89563 14.94554 
1 1 1    9    7   32 o   90.093   5.7048 4.840530 11.40952 
1 1 1    9    7   33 o   66.345   7.6704 5.142784 15.34072 
1 1 1    9    7   34 o   88.908   5.8878 0.5903625E-01 11.77555 
1 1 1    9    7   35 f   38.710   10.587 -4.884441 21.17418 
1 1 1    9    7   36 o   27.360   8.7651 -11.05959 17.53014 
1 1 1    9    7   37 o   44.599   10.233 -6.040310 20.46559 
1 1 1    9    7   38 o   27.544   8.7982 -6.178362 17.59646 
1 1 1    9    8    0 o   68.806   2.2410 0.000000 0.000000 
1 1 1    9    8    1 o  363.635   1.9412 0.4492188E-01 3.882334 
1 1 1    9    8    2 o  462.840   2.4447 -3.021423 4.889435 
1 1 1    9    8    3 o  817.131   4.2841 -1.072327 8.568298 
1 1 1    9    8    4 o  228.712   1.3315 -1.545593 2.663016 
1 1 1    9    8    5 o  327.163   1.7754 5.001343 3.550891 
1 1 1    9    8    6 o  233.373   1.3758 1.850174 2.751632 
1 1 1    9    8    7 o  405.930   2.1738 -1.650055 4.347682 
1 1 1    9    8    8 o  274.259   1.8753 -8.852478 3.750571 
1 1 1    9    8    9 o  192.188   1.4449 0.2420044 2.889837 
1 1 1    9    8   10 o  349.825   1.9916 1.866669 3.983289 
1 1 1    9    8   11 o   31.129   5.8240 -1.001001 11.64806 
1 1 1    9    8   12 o  298.952   2.1103 4.513916 4.220657 
1 1 1    9    8   13 o  259.979   1.7033 3.377625 3.406535 
1 1 1    9    8   14 o  518.477   2.8677 -0.9800415 5.735487 
1 1 1    9    8   15 o  222.923   1.8698 -7.813141 3.739531 
1 1 1    9    8   16 o  688.524   3.7604 -8.072998 7.520812 
1 1 1    9    8   17 o  221.979   2.1695 4.573380 4.339059 
1 1 1    9    8   18 o  221.827   2.0788 -0.1267395 4.157511 
1 1 1    9    8   19 o  365.805   2.4736 -4.388092 4.947163 
1 1 1    9    8   20 o  209.918   2.5354 -5.120102 5.070741 
1 1 1    9    8   21 o  217.453   3.1748 -7.331772 6.349514 
1 1 1    9    8   22 o  440.565   2.7266 -4.242096 5.453130 
1 1 1    9    8   23 o  392.396   3.2479 -15.58606 6.495799 
1 1 1    9    8   24 o  246.533   2.7004 -6.213181 5.400770 
1 1 1    9    8   25 o   49.674   9.9353 15.58578 19.87051 
1 1 1    9    8   26 o  245.566   2.7638 3.154846 5.527580 
1 1 1    9    8   27 o   25.187   8.3961 2.201025 16.79216 
1 1 1    9    8   28 o  336.878   2.6008 4.178528 5.201635 
1 1 1    9    8   29 o   35.847   9.7644 -15.11774 19.52887 
1 1 1    9    8   30 o   89.019   5.6806 2.815674 11.36118 
1 1 1    9    8   31 o  137.997   3.8200 10.41927 7.639929 
1 1 1    9    8   32 o   68.392   7.3083 -6.397133 14.61667 
1 1 1    9    8   33 f  128.970   4.4500 14.73220 8.899981 
1 1 1    9    8   34 o  146.459   4.4590 -30.08960 8.918047 
1 1 1    9    8   35 o  107.302   4.9405 1.776573 9.881027 
1 1 1    9    8   36 o   40.399   9.7194 -25.55921 19.43875 
1 1 1    9    8   37 o   64.337   7.8447 -20.84317 15.68944 
1 1 1    9    9    0 o   71.108   2.3156 0.000000 0.000000 
1 1 1    9    9    1 o  189.426   1.1865 -2.248993 2.373093 
1 1 1    9    9    2 o  132.594   1.1120 1.779587 2.223930 
1 1 1    9    9    3 o  314.697   1.7123 -2.820343 3.424592 
1 1 1    9    9    4 o  173.512   1.1585 -2.222733 2.316962 
1 1 1    9    9    5 f  182.735   1.2026 1.371246 2.405189 
1 1 1    9    9    6 o  271.596   1.5331 3.797821 3.066120 
1 1 1    9    9    7 o  383.024   2.0656 3.402954 4.131262 
1 1 1    9    9    8 o  158.108   1.3761 1.427612 2.752253 
1 1 1    9    9    9 o  274.706   1.6565 -1.266846 3.312907 
1 1 1    9    9   10 o  192.239   1.6436 -3.706345 3.287263 
1 1 1    9    9   11 o  221.737   1.6523 1.836090 3.304531 
1 1 1    9    9   12 o  818.171   5.0803 -9.784302 10.16056 
1 1 1    9    9   13 o  401.934   2.2848 -6.087097 4.569588 
1 1 1    9    9   14 o  576.981   3.1785 5.676941 6.357071 
1 1 1    9    9   15 o  153.282   2.0607 -4.870834 4.121480 
1 1 1    9    9   16 o  178.917   1.9782 4.581390 3.956486 
1 1 1    9    9   17 f  367.439   2.1684 4.407166 4.336797 
1 1 1    9    9   18 o  289.400   2.1302 -8.973846 4.260371 
1 1 1    9    9   19 o  487.760   3.5499 27.21692 7.099801 
1 1 1    9    9   20 o  174.900   2.8184 -4.729492 5.636765 
1 1 1    9    9   21 o  213.632   3.1874 3.970886 6.374766 
1 1 1    9    9   22 o  256.799   2.6749 1.169006 5.349733 
1 1 1    9    9   23 o  183.791   3.1926 -14.90518 6.385277 
1 1 1    9    9   24 o  252.137   2.6744 -0.5999146 5.348736 
1 1 1    9    9   25 o  167.984   3.5219 -2.707306 7.043879 
1 1 1    9    9   26 o   79.898   6.9131 2.443962 13.82617 
1 1 1    9    9   27 o  284.861   2.5939 8.125397 5.187740 
1 1 1    9    9   28 o   75.935   7.2933 -12.92231 14.58655 
1 1 1    9    9   29 o   67.188   8.1526 27.07080 16.30526 
1 1 1    9    9   30 o   95.516   5.3883 -1.326790 10.77655 
1 1 1    9    9   31 o   27.412   8.8043 -4.189167 17.60851 
1 1 1    9    9   32 o   73.990   7.0431 6.917374 14.08624 
1 1 1    9    9   33 o   32.579   9.3892 4.672079 18.77842 
1 1 1    9    9   34 o   88.598   6.1246 19.14622 12.24925 
1 1 1    9    9   35 o   80.842   6.7382 6.572815 13.47632 
1 1 1    9    9   36 o   37.166   10.107 -8.009430 20.21387 
1 1 1    9    9   37 o   34.088   9.4005 8.404619 18.80101 
1 1 1    9   10    0 o  162.428   1.6410 0.000000 0.000000 
1 1 1    9   10    1 o  274.731   1.5237 2.113525 3.047469 
1 1 1    9   10    2 o  442.832   2.5325 -5.018799 5.064920 
1 1 1    9   10    3 o  651.436   3.4278 0.8496094 6.855585 
1 1 1    9   10    4 o  118.589   1.3855 0.3282166 2.770992 
1 1 1    9   10    5 o  143.132   1.1480 -1.486084 2.296044 
1 1 1    9   10    6 o  426.077   2.2830 2.224731 4.565996 
1 1 1    9   10    7 o  106.226   1.3404 3.412033 2.680711 
1 1 1    9   10    8 o  594.551   3.8696 19.53259 7.739288 
1 1 1    9   10    9 o  417.337   2.3263 -3.199951 4.652525 
1 1 1    9   10   10 o  308.687   1.8266 -2.994141 3.653165 
1 1 1    9   10   11 o  728.215   4.5288 -8.777771 9.057621 
1 1 1    9   10   12 o  256.433   1.7505 0.2397461 3.500978 
1 1 1    9   10   13 o  650.104   3.5561 -0.3431396 7.112253 
1 1 1    9   10   14 o  522.754   2.9046 1.008728 5.809291 
1 1 1    9   10   15 o  120.681   2.4459 1.968163 4.891707 
1 1 1    9   10   16 o  281.676   2.0223 1.858093 4.044596 
1 1 1    9   10   17 o  397.365   2.2976 -1.747498 4.595155 
1 1 1    9   10   18 o  273.786   2.5194 -15.01318 5.038702 
1 1 1    9   10   19 o  211.346   2.5833 3.592514 5.166604 
1 1 1    9   10   20 o  277.947   2.4822 1.374634 4.964327 
1 1 1    9   10   21 o  421.224   2.6592 -4.518372 5.318322 
1 1 1    9   10   22 o  296.243   2.5771 -0.8981934 5.154130 
1 1 1    9   10   23 o  200.506   2.9172 -2.455688 5.834463 
1 1 1    9   10   24 o  152.684   3.6201 -0.9764557 7.240211 
1 1 1    9   10   25 o   90.882   6.1868 -8.305649 12.37350 
1 1 1    9   10   26 o  151.917   3.6927 -3.845490 7.385336 
1 1 1    9   10   27 o   78.860   7.0012 7.179039 14.00243 
1 1 1    9   10   28 o  184.419   3.0181 13.03389 6.036121 
1 1 1    9   10   29 o   29.293   9.0666 0.4925919 18.13316 
1 1 1    9   10   30 o   65.630   7.8564 10.78512 15.71279 
1 1 1    9   10   31 o  165.279   3.6091 3.336655 7.218130 
1 1 1    9   10   32 o   47.904   9.6750 0.8376808 19.35002 
1 1 1    9   10   33 f   33.492   9.5546 -6.876404 19.10924 
1 1 1    9   10   34 o   27.542   8.7567 -0.5533733 17.51333 
1 1 1    9   10   35 o   33.379   10.112 -12.99790 20.22339 
1 1 1    9   10   36 o   38.703   10.147 -8.635971 20.29325 
1 1 1    9   10   37 o   26.869   8.5014 -19.15078 17.00281 
1 1 1    9   11    0 o   21.250   7.2450 0.000000 0.000000 
1 1 1    9   11    1 o  384.870   2.0603 0.2742310 4.120516 
1 1 1    9   11    2 o  210.000   1.4890 -2.989670 2.977957 
1 1 1    9   11    3 o  128.876   1.2120 6.053574 2.423915 
1 1 1    9   11    4 o  109.768   1.2247 3.251404 2.449307 
1 1 1    9   11    5 o  527.453   3.6047 1.400940 7.209470 
1 1 1    9   11    6 o  142.342   2.6134      ?      ? 
1 1 1    9   11    7 o  526.799   3.2277 -5.878479 6.455400 
1 1 1    9   11    8 o  365.226   2.3219 2.960846 4.643764 
1 1 1    9   11    9 o  555.955   3.0503 0.6419067 6.100523 
1 1 1    9   11   10 o  370.151   2.4041 2.712158 4.808113 
1 1 1    9   11   11 o  339.825   2.0009 9.993439 4.001829 
1 1 1    9   11   12 o  339.921   2.1132 1.936279 4.226441 
1 1 1    9   11   13 o  617.038   3.3812 -2.907654 6.762302 
1 1 1    9   11   14 f  509.095   2.8356 -3.156281 5.671299 
1 1 1    9   11   15 o  502.202   2.9500 -0.2709656 5.899947 
1 1 1    9   11   16 o  466.965   2.5793 5.807495 5.158695 
1 1 1    9   11   17 o  290.894   2.1794 -2.954407 4.358727 
1 1 1    9   11   18 o  411.583   2.8340 15.30298 5.667983 
1 1 1    9   11   19 o  177.616   2.7936 -4.015549 5.587151 
1 1 1    9   11   20 o  486.560   2.8833 -4.316284 5.766594 
1 1 1    9   11   21 o  488.051   2.8978 -0.3983765 5.795687 
1 1 1    9   11   22 o  221.479   2.8735 -8.504257 5.747004 
1 1 1    9   11   23 o  273.146   2.5252 1.156128 5.050379 
1 1 1    9   11   24 o  307.312   3.0781 7.006989 6.156176 
1 1 1    9   11   25 o  133.634   4.1245 -18.89115 8.249085 
1 1 1    9   11   26 f  244.026   2.6411 -10.25897 5.282144 
1 1 1    9   11   27 f  143.430   3.8545 2.625092 7.708991 
1 1 1    9   11   28 o  210.433   2.7426 1.377701 5.485151 
1 1 1    9   11   29 o   47.778   9.4658 10.93753 18.93164 
1 1 1    9   11   30 o   30.540   9.0843 -8.205164 18.16859 
1 1 1    9   11   31 o   29.155   8.6527 -17.70527 17.30533 
1 1 1    9   11   32 o   32.144   9.2540 4.181416 18.50793 
1 1 1    9   11   33 o   82.279   9.1495      ?      ? 
1 1 1    9   11   34 o   83.509   6.3420 -7.490097 12.68393 
1 1 1    9   11   35 o   29.938   9.2123 -1.136967 18.42459 
1 1 1    9   11   36 o   33.539   9.5264 3.559139 19.05272 
1 1 1    9   11   37 o   34.505   9.5346 6.290632 19.06917 
1 1 1    9   12    0 o   53.703   4.4479 0.000000 0.000000 
1 1 1    9   12    1 o  295.489   1.7768 3.981384 3.553535 
1 1 1    9   12    2 o  273.625   1.6713 2.618134 3.342504 
1 1 1    9   12    3 o  215.684   1.3296 -4.423203 2.659148 
1 1 1    9   12    4 o  648.917   3.4348 -4.361328 6.869685 
1 1 1    9   12    5 o  426.299   2.6415 -0.5472107 5.282975 
1 1 1    9   12    6 o   88.962   2.5309 -3.124672 5.061702 
1 1 1    9   12    7 o   98.263   2.2373 3.720345 4.474642 
1 1 1    9   12    8 o  250.179   2.0124 -6.225510 4.024725 
1 1 1    9   12    9 o  481.654   2.9805 0.1624146 5.961042 
1 1 1    9   12   10 o  355.370   2.4784 11.16052 4.956784 
1 1 1    9   12   11 o  886.730   4.8133 -5.614563 9.626509 
1 1 1    9   12   12 o  226.328   1.7986 -6.961884 3.597159 
1 1 1    9   12   13 o  584.805   3.2231 2.067017 6.446130 
1 1 1    9   12   14 o  271.494   1.8670 1.530243 3.733924 
1 1 1    9   12   15 o  232.109   2.0912 9.904434 4.182348 
1 1 1    9   12   16 o  380.597   2.2395 -2.228333 4.478975 
1 1 1    9   12   17 o  201.593   3.7546      ?      ? 
1 1 1    9   12   18 o  297.255   2.1414 0.5645142 4.282734 
1 1 1    9   12   19 o  488.244   3.5893 19.08026 7.178668 
1 1 1    9   12   20 o  307.457   2.3467 1.980774 4.693327 
1 1 1    9   12   21 o  144.259   4.4189 14.16316 8.837795 
1 1 1    9   12   22 o  150.418   3.5616 2.265182 7.123121 
1 1 1    9   12   23 o  271.598   2.6158 4.589691 5.231580 
1 1 1    9   12   24 o  153.550   3.6126 -8.719635 7.225289 
1 1 1    9   12   25 o   33.756   9.7663 -0.2865829 19.53259 
1 1 1    9   12   26 o  144.879   3.8603 -4.019012 7.720681 
1 1 1    9   12   27 o  318.188   2.4310 2.007843 4.862076 
1 1 1    9   12   28 o  158.870   3.2898 3.595551 6.579677 
1 1 1    9   12   29 o   52.111   9.2645 -4.490585 18.52904 
1 1 1    9   12   30 o   24.027   7.9559 -11.58822 15.91184 
1 1 1    9   12   31 o  113.995   4.4424 2.134369 8.884790 
1 1 1    9   12   32 o   85.221   6.4236 30.48373 12.84728 
1 1 1    9   12   33 o   97.798   5.1305 -11.96926 10.26101 
1 1 1    9   12   34 o   64.529   7.9215 -11.43716 15.84303 
1 1 1    9   12   35 f   34.618   9.9161 -6.567038 19.83216 
1 1 1    9   12   36 o   27.244   8.7295 -11.99583 17.45898 
1 1 1    9   13    0 f  179.511   1.8208 0.000000 0.000000 
1 1 1    9   13    1 f  556.041   2.9366 -2.399292 5.873187 
1 1 1    9   13    2 o  513.140   2.9380 4.833282 5.875971 
1 1 1    9   13    3 o  188.925   1.5147 1.857224 3.029402 
1 1 1    9   13    4 o  282.704   2.1112 -0.4421997E-01 4.222355 
1 1 1    9   13    5 o   60.726   3.4226 1.634502 6.845274 
1 1 1    9   13    6 o  592.628   3.6165 -2.388611 7.233093 
1 1 1    9   13    7 o  807.739   4.9009 -10.22699 9.801801 
1 1 1    9   13    8 o  332.347   2.1882 8.053894 4.376325 
1 1 1    9   13    9 o  155.103   1.9372 10.36751 3.874495 
1 1 1    9   13   10 o  347.075   2.2980 -1.569916 4.595951 
1 1 1    9   13   11 o  229.817   1.7123 -0.3341370 3.424541 
1 1 1    9   13   12 o  363.892   2.1541 2.977448 4.308226 
1 1 1    9   13   13 o  276.911   1.8751 -3.155823 3.750165 
1 1 1    9   13   14 o  201.227   1.9613 -14.06790 3.922674 
1 1 1    9   13   15 o  303.821   1.9694 -1.912506 3.938839 
1 1 1    9   13   16 o   23.655   7.8744 -1.630960 15.74878 
1 1 1    9   13   17 o  419.657   2.6405 -6.067749 5.280982 
1 1 1    9   13   18 o  226.127   2.4448 2.689514 4.889526 
1 1 1    9   13   19 o  131.144   4.8459 -25.39999 9.691727 
1 1 1    9   13   20 o   26.108   8.5372 -16.32668 17.07434 
1 1 1    9   13   21 o   31.482   9.3137 -13.14282 18.62741 
1 1 1    9   13   22 o  272.691   2.4727 -1.145355 4.945358 
1 1 1    9   13   23 o   96.396   5.4971 4.054260 10.99413 
1 1 1    9   13   24 o   46.081   9.8869 -20.89743 19.77383 
1 1 1    9   13   25 o   97.411   5.2734 -17.75084 10.54681 
1 1 1    9   13   26 o  150.611   3.5601 3.579254 7.120232 
1 1 1    9   13   27 o  126.333   3.8495 -3.089058 7.699003 
1 1 1    9   13   28 o  118.456   4.1033 -7.693954 8.206523 
1 1 1    9   13   29 o   49.261   8.7252 23.59500 17.45036 
1 1 1    9   13   30 o   46.105   11.121 -20.83073 22.24245 
1 1 1    9   13   31 o  111.234   4.4522 -1.130280 8.904325 
1 1 1    9   13   32 o   90.541   5.7816 25.59726 11.56315 
1 1 1    9   13   33 o   76.234   6.4386 -9.691704 12.87724 
1 1 1    9   13   34 o  104.102   5.0289 1.015900 10.05789 
1 1 1    9   13   35 o   26.105   8.4219 4.160915 16.84380 
1 1 1    9   13   36 o   23.100   7.7864 -5.635855 15.57276 
1 1 1    9   14    0 o  331.482   2.5888 0.000000 0.000000 
1 1 1    9   14    1 o  279.966   1.6183 -0.1713867 3.236649 
1 1 1    9   14    2 o  304.320   2.2007 -2.103668 4.401343 
1 1 1    9   14    3 o  471.677   2.5217 -2.189911 5.043372 
1 1 1    9   14    4 o  108.644   2.1386 -1.586975 4.277287 
1 1 1    9   14    5 f  640.833   3.9048 -0.1682739 7.809687 
1 1 1    9   14    6 o  166.689   2.1417 -2.873932 4.283422 
1 1 1    9   14    7 o  228.922   2.0777 4.399582 4.155399 
1 1 1    9   14    8 o  409.945   2.6005 0.6434937 5.200983 
1 1 1    9   14    9 o  330.936   2.4911 -7.198975 4.982270 
1 1 1    9   14   10 o  698.300   4.2595 1.319763 8.518994 
1 1 1    9   14   11 o   98.475   4.4663      ?      ? 
1 1 1    9   14   12 o  509.015   2.8454 -3.068939 5.690700 
1 1 1    9   14   13 o  361.761   2.1759 0.7662659 4.351807 
1 1 1    9   14   14 o   78.191   4.0594 6.694855 8.118751 
1 1 1    9   14   15 o  226.888   2.2588 0.6835632 4.517625 
1 1 1    9   14   16 o  287.170   2.1030 -10.86069 4.205962 
1 1 1    9   14   17 o  179.852   2.6473 7.427414 5.294625 
1 1 1    9   14   18 o  425.437   2.5293 3.796906 5.058630 
1 1 1    9   14   19 f  149.355   3.1955 -9.389282 6.390969 
1 1 1    9   14   20 o  360.418   3.0341 -1.024048 6.068115 
1 1 1    9   14   21 o  408.937   2.6042 1.270538 5.208490 
1 1 1    9   14   22 o  121.902   4.7995 16.46446 9.598974 
1 1 1    9   14   23 o   98.302   5.2322 -6.896324 10.46434 
1 1 1    9   14   24 o  162.323   3.3807 8.744278 6.761395 
1 1 1    9   14   25 o  195.536   2.8267 1.834671 5.653347 
1 1 1    9   14   26 o   79.178   6.1284 0.9887695E-02 12.25685 
1 1 1    9   14   27 o  138.706   3.5741 2.648666 7.148203 
1 1 1    9   14   28 o   39.096   9.4030 8.684021 18.80591 
1 1 1    9   14   29 o   35.371   9.6306 -10.00532 19.26117 
1 1 1    9   14   30 o  106.165   4.6170 6.047951 9.233936 
1 1 1    9   14   31 o  104.218   4.6066 -3.070457 9.213199 
1 1 1    9   14   32 o  112.938   4.9856 2.091530 9.971288 
1 1 1    9   14   33 o   24.545   8.0748 1.422291 16.14951 
1 1 1    9   14   34 o   48.897   9.3744 -32.80503 18.74873 
1 1 1    9   14   35 o   36.259   9.9283 -7.687893 19.85651 
1 1 1    9   14   36 o   21.545   7.3973 -2.888195 14.79466 
1 1 1    9   15    0 o  372.142   4.0775 0.000000 0.000000 
1 1 1    9   15    1 o  130.482   1.6299 -0.4136505 3.259797 
1 1 1    9   15    2 o  606.484   3.4716 4.426697 6.943257 
1 1 1    9   15    3 o  196.394   1.5349 -6.555115 3.069769 
1 1 1    9   15    4 o  335.106   3.0798      ?      ? 
1 1 1    9   15    5 o  194.469   2.1179 -1.710068 4.235868 
1 1 1    9   15    6 o  414.046   2.6209 4.598572 5.241856 
1 1 1    9   15    7 o  288.100   2.4607 -15.10681 4.921340 
1 1 1    9   15    8 o  166.591   2.2407 -8.237640 4.481465 
1 1 1    9   15    9 o  361.083   2.3974 1.741821 4.794892 
1 1 1    9   15   10 o  194.448   2.0696 1.272308 4.139254 
1 1 1    9   15   11 o  502.345   3.1500 5.832947 6.299983 
1 1 1    9   15   12 o  443.899   2.6609 -1.639771 5.321887 
1 1 1    9   15   13 o   77.840   3.9803 17.42344 7.960696 
1 1 1    9   15   14 f   74.778   8.3357 59.66928 16.67140 
1 1 1    9   15   15 o   20.639   6.7603 -7.198366 13.52062 
1 1 1    9   15   16 o  123.761   3.9958 -19.44492 7.991601 
1 1 1    9   15   17 f  218.477   2.5150 -1.674805 5.030099 
1 1 1    9   15   18 o  210.852   2.3481 5.720963 4.696101 
1 1 1    9   15   19 o  347.490   2.8507 26.93130 5.701483 
1 1 1    9   15   20 f  138.936   3.5298 4.419891 7.059546 
1 1 1    9   15   21 o  297.924   2.4054 1.345367 4.810753 
1 1 1    9   15   22 o  197.561   2.8040 -0.8071899E-02 5.608088 
1 1 1    9   15   23 o   72.879   6.9116 -18.42189 13.82310 
1 1 1    9   15   24 o  179.969   3.0373 11.86340 6.074509 
1 1 1    9   15   25 o  125.843   4.0287 -10.92896 8.057456 
1 1 1    9   15   26 o   56.212   9.7841 -26.32032 19.56827 
1 1 1    9   15   27 o   63.485   7.4608 6.530354 14.92167 
1 1 1    9   15   28 o   48.175   9.4252 0.9689331E-01 18.85037 
1 1 1    9   15   29 o  115.462   4.2686 8.926987 8.537281 
1 1 1    9   15   30 o   73.652   6.4168 -7.234070 12.83357 
1 1 1    9   15   31 o   61.700   7.8670 -2.126137 15.73394 
1 1 1    9   15   32 o   77.077   6.4146 -0.4011078 12.82927 
1 1 1    9   15   33 o   54.492   9.5546 4.038670 19.10913 
1 1 1    9   15   34 o   29.287   8.9811 3.561760 17.96218 
1 1 1    9   15   35 o   40.580   9.7229 -1.993893 19.44589 
1 1 1    9   16    0 o  360.201   4.0302 0.000000 0.000000 
1 1 1    9   16    1 o  384.554   2.1186 -1.326721 4.237200 
1 1 1    9   16    2 o  342.151   2.0965 -9.084320 4.192921 
1 1 1    9   16    3 o  314.566   2.0879 -5.621307 4.175884 
1 1 1    9   16    4 o   74.732   3.6911 3.521614 7.382119 
1 1 1    9   16    5 o  206.530   1.9036 -6.517960 3.807276 
1 1 1    9   16    6 o  416.049   2.6561 0.3292542 5.312181 
1 1 1    9   16    7 o  472.058   2.9624 -3.029388 5.924723 
1 1 1    9   16    8 o  336.835   2.3045 0.8558960 4.609031 
1 1 1    9   16    9 o  160.956   2.4391 1.345749 4.878202 
1 1 1    9   16   10 o  271.470   2.1418 -2.751190 4.283554 
1 1 1    9   16   11 o  105.623   3.3836 5.424675 6.767152 
1 1 1    9   16   12 o   57.534   6.7848 -15.67739 13.56953 
1 1 1    9   16   13 o  214.000   4.2035      ?      ? 
1 1 1    9   16   14 o  208.489   2.0581 -7.906479 4.116259 
1 1 1    9   16   15 o  327.907   2.1496 -11.09177 4.299240 
1 1 1    9   16   16 o  171.270   2.9891 -7.048279 5.978237 
1 1 1    9   16   17 o  351.072   2.2963 9.063507 4.592559 
1 1 1    9   16   18 o  106.693   5.9085 23.35960 11.81696 
1 1 1    9   16   19 o  152.638   2.9695 3.323547 5.939064 
1 1 1    9   16   20 o  101.020   4.4919 -8.637810 8.983889 
1 1 1    9   16   21 o  254.447   2.3997 -1.461151 4.799416 
1 1 1    9   16   22 o  174.225   2.9732 -8.594162 5.946475 
1 1 1    9   16   23 o   29.487   8.9627 2.157022 17.92547 
1 1 1    9   16   24 o  151.079   3.3802 5.999924 6.760310 
1 1 1    9   16   25 o  133.856   3.5607 -14.91698 7.121458 
1 1 1    9   16   26 o   92.146   5.0641 8.043098 10.12810 
1 1 1    9   16   27 o   79.525   5.6693 -12.95761 11.33861 
1 1 1    9   16   28 o  160.443   3.1375 6.095947 6.275000 
1 1 1    9   16   29 o   29.089   8.8134 0.3879795 17.62681 
1 1 1    9   16   30 o   66.297   7.1334 -16.08084 14.26678 
1 1 1    9   16   31 f   89.672   5.4622 9.360886 10.92437 
1 1 1    9   16   32 o   82.700   6.1340 1.129532 12.26790 
1 1 1    9   16   33 o   67.443   7.3461 -12.26796 14.69212 
1 1 1    9   16   34 o   28.173   8.7679 0.8150253 17.53586 
1 1 1    9   16   35 o   23.967   7.7764 -0.7065220 15.55273 
1 1 1    9   17    0 o  224.741   2.3056 0.000000 0.000000 
1 1 1    9   17    1 o  172.158   1.8283 -0.8768768 3.656561 
1 1 1    9   17    2 o  148.168   2.0506 7.767548 4.101243 
1 1 1    9   17    3 o  236.024   1.7139 -4.636765 3.427814 
1 1 1    9   17    4 o  404.730   2.6546 -1.060394 5.309160 
1 1 1    9   17    5 o  359.070   2.3975 -2.087799 4.795089 
1 1 1    9   17    6 o  558.262   3.4512 2.055420 6.902333 
1 1 1    9   17    7 f  150.954   2.3642 -7.597885 4.728394 
1 1 1    9   17    8 o  117.570   3.0750 9.522896 6.149973 
1 1 1    9   17    9 o  301.585   2.2277 -5.317657 4.455352 
1 1 1    9   17   10 o  264.830   2.1950 2.440796 4.389923 
1 1 1    9   17   11 o  193.013   2.5764 5.490021 5.152879 
1 1 1    9   17   12 o  431.094   4.0339      ?      ? 
1 1 1    9   17   13 o  393.555   2.7250 -1.601135 5.450038 
1 1 1    9   17   14 o  110.280   4.7012 -59.95533 9.402349 
1 1 1    9   17   15 x  ?   ?       ?      ? 
1 1 1    9   17   16 o  226.451   2.2000 7.092087 4.399945 
1 1 1    9   17   17 o  128.479   3.9588 17.14654 7.917644 
1 1 1    9   17   18 o  143.150   3.1201 -5.992996 6.240264 
1 1 1    9   17   19 o   36.012   8.8929 -8.421225 17.78574 
1 1 1    9   17   20 o   53.290   8.3074 22.01266 16.61482 
1 1 1    9   17   21 o   96.692   4.8538 15.79069 9.707658 
1 1 1    9   17   22 o  162.435   3.1402 3.594620 6.280309 
1 1 1    9   17   23 o   52.312   8.5575 24.00612 17.11497 
1 1 1    9   17   24 o  161.813   3.0491 10.55411 6.098191 
1 1 1    9   17   25 f   77.512   6.0811 -12.45016 12.16214 
1 1 1    9   17   26 o   92.346   4.9211 -5.332779 9.842195 
1 1 1    9   17   27 o  175.316   2.9021 -1.856995 5.804295 
1 1 1    9   17   28 o  129.197   3.7388 4.824066 7.477551 
1 1 1    9   17   29 o   55.844   8.3906 4.156490 16.78119 
1 1 1    9   17   30 o   68.654   7.1080 -20.28294 14.21595 
1 1 1    9   17   31 o   33.139   9.4112 3.013643 18.82238 
1 1 1    9   17   32 o   88.224   5.7211 16.51415 11.44211 
1 1 1    9   17   33 o   29.910   8.8267 10.53282 17.65334 
1 1 1    9   17   34 o   29.149   8.8187 -2.372561 17.63738 
1 1 1    9   18    0 o  474.513   3.6528 0.000000 0.000000 
1 1 1    9   18    1 o  538.222   2.9833 -6.998657 5.966523 
1 1 1    9   18    2 o  627.231   3.4433 -7.927368 6.886538 
1 1 1    9   18    3 o  317.159   1.9688 -2.905243 3.937650 
1 1 1    9   18    4 o  439.034   2.4964 -2.952820 4.992858 
1 1 1    9   18    5 o  502.476   3.1476 -3.304260 6.295102 
1 1 1    9   18    6 o  184.936   2.4060 -9.981430 4.812091 
1 1 1    9   18    7 o  184.360   2.2534 -3.091171 4.506876 
1 1 1    9   18    8 o  392.666   2.6078 1.686340 5.215692 
1 1 1    9   18    9 o  277.906   2.4658 7.494324 4.931578 
1 1 1    9   18   10 o  152.456   3.3675 -9.095779 6.735031 
1 1 1    9   18   11 o  184.825   3.8043 -2.524765 7.608568 
1 1 1    9   18   12 o  206.628   2.6873 11.49857 5.374559 
1 1 1    9   18   13 o  403.929   2.7947 3.623718 5.589354 
1 1 1    9   18   14 o   76.379   5.3436 -6.915688 10.68712 
1 1 1    9   18   15 o  139.187   2.7198 3.950043 5.439593 
1 1 1    9   18   16 o  371.500   3.0064 -13.73709 6.012743 
1 1 1    9   18   17 o  225.073   2.2663 -1.262466 4.532526 
1 1 1    9   18   18 o  253.787   2.2544 2.236618 4.508752 
1 1 1    9   18   19 o   40.658   9.6355 -20.30995 19.27094 
1 1 1    9   18   20 o   75.018   6.1031 -14.18280 12.20613 
1 1 1    9   18   21 o  154.910   3.0797 -7.047714 6.159330 
1 1 1    9   18   22 f  173.242   2.8562 1.743515 5.712331 
1 1 1    9   18   23 o  120.708   3.6966 1.084244 7.393142 
1 1 1    9   18   24 o   49.572   8.6101 6.507359 17.22023 
1 1 1    9   18   25 o   79.363   5.5474 -3.985298 11.09477 
1 1 1    9   18   26 o   59.954   7.6481 10.36627 15.29615 
1 1 1    9   18   27 o  133.567   3.5918 -6.067825 7.183521 
1 1 1    9   18   28 o   83.287   5.6411 -10.19887 11.28217 
1 1 1    9   18   29 o   36.672   9.4428 -8.962429 18.88559 
1 1 1    9   18   30 o   84.583   5.7935 16.41906 11.58703 
1 1 1    9   18   31 o   25.010   8.1053 4.671213 16.21067 
1 1 1    9   18   32 o  114.937   4.5232 11.92148 9.046426 
1 1 1    9   18   33 o   68.027   7.0188 -7.963470 14.03755 
1 1 1    9   18   34 o   21.241   7.2161 -0.3795052E-01 14.43224 
1 1 1    9   19    0 o   24.706   10.383 0.000000 0.000000 
1 1 1    9   19    1 o  521.412   2.9096 -8.271912 5.819162 
1 1 1    9   19    2 o   15.338   5.3696 -5.205289 10.73921 
1 1 1    9   19    3 o  216.147   1.9110 6.877411 3.821934 
1 1 1    9   19    4 o  137.464   2.6234 14.75980 5.246723 
1 1 1    9   19    5 o  146.246   2.8620 0.8648682 5.723928 
1 1 1    9   19    6 o  380.873   2.5863 2.604004 5.172626 
1 1 1    9   19    7 x  ?   ?       ?      ? 
1 1 1    9   19    8 o  519.399   4.0973 0.5984497 8.194696 
1 1 1    9   19    9 x  ?   ?       ?      ? 
1 1 1    9   19   10 o  426.850   2.8641 0.1171875E-01 5.728247 
1 1 1    9   19   11 o  220.264   3.1523 6.946823 6.304652 
1 1 1    9   19   12 o  536.359   3.4364 10.36627 6.872896 
1 1 1    9   19   13 o  250.646   2.5024 1.575623 5.004854 
1 1 1    9   19   14 o  187.655   2.9001 -6.982101 5.800113 
1 1 1    9   19   15 o  303.147   2.3627 4.394653 4.725321 
1 1 1    9   19   16 o  426.754   3.0390 -10.17749 6.077964 
1 1 1    9   19   17 o  225.710   2.3165 1.704865 4.632969 
1 1 1    9   19   18 o   66.369   6.1625 1.698242 12.32499 
1 1 1    9   19   19 o  162.842   2.6756 -0.3278656 5.351190 
1 1 1    9   19   20 o  123.020   3.5924 -4.006744 7.184833 
1 1 1    9   19   21 o   85.207   5.1649 -11.04626 10.32987 
1 1 1    9   19   22 o  229.294   2.3895 1.356628 4.778975 
1 1 1    9   19   23 o  217.698   2.4193 1.590775 4.838650 
1 1 1    9   19   24 o  105.293   4.1399 15.40535 8.279720 
1 1 1    9   19   25 o  154.978   2.8617 3.832581 5.723488 
1 1 1    9   19   26 o   57.850   9.5116 20.73457 19.02319 
1 1 1    9   19   27 o  114.168   4.0077 3.262344 8.015409 
1 1 1    9   19   28 o   75.917   6.1095 -24.17695 12.21898 
1 1 1    9   19   29 o   72.196   6.8700 -3.770012 13.73993 
1 1 1    9   19   30 o  153.897   3.3476 3.595978 6.695168 
1 1 1    9   19   31 o  162.320   3.2526 -0.4145660 6.505265 
1 1 1    9   19   32 o   72.828   6.5508 -8.497726 13.10169 
1 1 1    9   19   33 f   22.906   7.7244 -7.479719 15.44873 
1 1 1    9   20    0 o   12.224   6.3587 0.000000 0.000000 
1 1 1    9   20    1 o  161.761   2.0994 -4.108597 4.198791 
1 1 1    9   20    2 o  406.287   2.4025 -7.504028 4.805038 
1 1 1    9   20    3 o  433.987   2.5239 -0.5730286 5.047729 
1 1 1    9   20    4 o  313.980   2.4068 0.7369995 4.813647 
1 1 1    9   20    5 o  241.368   3.3378      ?      ? 
1 1 1    9   20    6 o  130.139   3.4271 -4.189468 6.854146 
1 1 1    9   20    7 o  384.726   2.6696 -4.585968 5.339248 
1 1 1    9   20    8 o  311.116   2.4668 2.087830 4.933567 
1 1 1    9   20    9 o  397.974   3.2860 4.721222 6.572064 
1 1 1    9   20   10 o  509.180   4.0298 -21.92087 8.059667 
1 1 1    9   20   11 o  417.889   3.1594 3.056793 6.318747 
1 1 1    9   20   12 o  162.195   3.0641 -1.611908 6.128260 
1 1 1    9   20   13 o   81.763   6.3108 -27.00056 12.62160 
1 1 1    9   20   14 o  276.634   2.6159 -2.846649 5.231720 
1 1 1    9   20   15 o  388.146   2.3761 10.18976 4.752127 
1 1 1    9   20   16 o  131.498   2.9816 -2.067459 5.963253 
1 1 1    9   20   17 o   66.674   6.2342 -20.17629 12.46841 
1 1 1    9   20   18 o  188.461   2.4704 3.627319 4.940762 
1 1 1    9   20   19 o   90.613   4.3705 14.45359 8.740984 
1 1 1    9   20   20 o  275.091   2.3269 0.9997559E-01 4.653749 
1 1 1    9   20   21 o   83.400   4.9973 -13.47919 9.994673 
1 1 1    9   20   22 o  205.358   2.3867 5.328262 4.773392 
1 1 1    9   20   23 o   30.289   8.1854 16.74144 16.37073 
1 1 1    9   20   24 o   39.666   8.3328 -24.36801 16.66551 
1 1 1    9   20   25 o   31.227   8.8742 0.2071800 17.74842 
1 1 1    9   20   26 f  143.534   3.4078 -4.507690 6.815629 
1 1 1    9   20   27 o   54.132   8.3697 2.968437 16.73941 
1 1 1    9   20   28 o   63.149   8.7709 -1.604897 17.54174 
1 1 1    9   20   29 o  163.098   3.0361 1.592056 6.072118 
1 1 1    9   20   30 o   23.847   7.8793 -4.946623 15.75851 
1 1 1    9   20   31 o   37.614   9.2946 -17.65855 18.58914 
1 1 1    9   20   32 f   31.663   9.1550 -4.955149 18.31006 
1 1 1    9   21    0 f  182.065   3.6851 0.000000 0.000000 
1 1 1    9   21    1 o   34.482   7.9478 -24.97495 15.89552 
1 1 1    9   21    2 o  432.043   2.4408 -1.793610 4.881605 
1 1 1    9   21    3 o  260.835   2.0871 -2.174316 4.174120 
1 1 1    9   21    4 o  223.846   2.3164 -19.27786 4.632796 
1 1 1    9   21    5 o  337.717   2.3263 -4.682465 4.652664 
1 1 1    9   21    6 o   37.846   10.815 -10.54254 21.63036 
1 1 1    9   21    7 o  268.027   4.7546      ?      ? 
1 1 1    9   21    8 o   26.871   12.874      ?      ? 
1 1 1    9   21    9 o  677.304   4.1980 -6.822266 8.395934 
1 1 1    9   21   10 o   98.453   4.8504 -22.92480 9.700754 
1 1 1    9   21   11 o  337.031   2.6156 3.624634 5.231198 
1 1 1    9   21   12 o   87.575   5.8679 0.4704971 11.73590 
1 1 1    9   21   13 o  154.688   4.5963 14.47073 9.192636 
1 1 1    9   21   14 o  110.959   4.5864 6.405472 9.172885 
1 1 1    9   21   15 o  191.566   2.4928 5.817215 4.985581 
1 1 1    9   21   16 o  247.494   2.1494 -1.946671 4.298843 
1 1 1    9   21   17 o  210.515   2.2434 0.1122589 4.486723 
1 1 1    9   21   18 o  146.925   2.7867 2.358856 5.573338 
1 1 1    9   21   19 o   95.547   4.2226 2.024872 8.445169 
1 1 1    9   21   20 o   84.803   4.7022 0.7333374E-01 9.404347 
1 1 1    9   21   21 o  133.965   3.0172 13.06072 6.034365 
1 1 1    9   21   22 o  156.637   2.7852 -9.121719 5.570392 
1 1 1    9   21   23 o   28.115   8.1865 -7.602165 16.37309 
1 1 1    9   21   24 o   94.965   4.7152 -13.52727 9.430329 
1 1 1    9   21   25 o  182.113   2.7138 -7.834152 5.427566 
1 1 1    9   21   26 o   80.180   5.3689 -8.549522 10.73789 
1 1 1    9   21   27 o   88.333   4.9298 9.408745 9.859586 
1 1 1    9   21   28 o   23.867   7.7540 5.650606 15.50792 
1 1 1    9   21   29 o   76.985   6.2165 8.797157 12.43304 
1 1 1    9   21   30 o  152.256   3.2917 1.994919 6.583423 
1 1 1    9   21   31 o   27.448   8.1726 -21.19829 16.34516 
1 1 1    9   21   32 o   23.092   7.6856 1.565022 15.37122 
1 1 1    9   22    0 x  ?   ?       ?      ? 
1 1 1    9   22    1 o  486.762   3.3308 7.471130 6.661691 
1 1 1    9   22    2 o  245.372   2.6450 17.78975 5.290054 
1 1 1    9   22    3 f  398.372   3.0897 -22.00748 6.179447 
1 1 1    9   22    4 f   68.503   7.6438 24.43324 15.28770 
1 1 1    9   22    5 o  149.854   2.8591 -5.065338 5.718124 
1 1 1    9   22    6 o  440.804   2.7599 -1.093933 5.519804 
1 1 1    9   22    7 o  410.393   2.8237 0.2701416 5.647375 
1 1 1    9   22    8 f  346.666   3.0705 -13.35062 6.141072 
1 1 1    9   22    9 o  333.588   2.6090 -1.002838 5.218010 
1 1 1    9   22   10 o  103.437   7.2703      ?      ? 
1 1 1    9   22   11 o  273.539   2.5823 -5.750580 5.164559 
1 1 1    9   22   12 o   83.579   5.8795 17.60656 11.75899 
1 1 1    9   22   13 o   78.056   6.2923 3.672470 12.58459 
1 1 1    9   22   14 o  303.974   2.9728 -1.866486 5.945635 
1 1 1    9   22   15 o  220.542   2.8127 4.650192 5.625419 
1 1 1    9   22   16 o  146.588   2.6923 0.8858643 5.384610 
1 1 1    9   22   17 f  166.186   2.4539 9.628815 4.907812 
1 1 1    9   22   18 o  125.898   3.0339 9.458511 6.067794 
1 1 1    9   22   19 o  167.372   2.4147 4.473740 4.829494 
1 1 1    9   22   20 o  120.571   3.2215 -14.41351 6.443077 
1 1 1    9   22   21 f   78.479   4.8073 11.09421 9.614517 
1 1 1    9   22   22 o  114.028   3.3720 2.826500 6.744063 
1 1 1    9   22   23 o   70.555   8.2587 -49.45858 16.51749 
1 1 1    9   22   24 o  103.336   4.1813 11.92361 8.362617 
1 1 1    9   22   25 o  134.713   3.2643 -2.718918 6.528630 
1 1 1    9   22   26 o   84.723   4.9639 -17.77755 9.927895 
1 1 1    9   22   27 f   80.322   5.2939 -7.969589 10.58776 
1 1 1    9   22   28 o   60.310   7.4094 7.115185 14.81875 
1 1 1    9   22   29 f   56.558   8.3258 12.30717 16.65151 
1 1 1    9   22   30 o   52.418   8.6228 -15.40866 17.24565 
1 1 1    9   22   31 o   74.162   5.7740 -6.022652 11.54795 
1 1 1    9   23    0 o  247.087   3.4247 0.000000 0.000000 
1 1 1    9   23    1 o  129.537   3.0152 -0.4746857 6.030365 
1 1 1    9   23    2 o  569.095   3.0825 -3.233765 6.165009 
1 1 1    9   23    3 o  219.059   2.2184 -11.34584 4.436840 
1 1 1    9   23    4 o  252.580   2.1514 -4.246567 4.302809 
1 1 1    9   23    5 x  ?   ?       ?      ? 
1 1 1    9   23    6 o  134.126   3.1335 1.053024 6.267071 
1 1 1    9   23    7 o  208.449   4.9885      ?      ? 
1 1 1    9   23    8 o  254.344   2.5827 -1.403351 5.165443 
1 1 1    9   23    9 o   72.015   6.8110 -6.111267 13.62210 
1 1 1    9   23   10 o  144.928   3.5645 0.5095062 7.129020 
1 1 1    9   23   11 o  302.793   2.5847 -2.366364 5.169408 
1 1 1    9   23   12 o  206.594   2.7770 5.992599 5.554036 
1 1 1    9   23   13 o  138.049   3.6958 5.663116 7.391664 
1 1 1    9   23   14 o   26.773   8.3111 -15.59551 16.62220 
1 1 1    9   23   15 o  270.529   2.6528 -5.429871 5.305606 
1 1 1    9   23   16 o  156.253   2.4354 -0.3453522 4.870716 
1 1 1    9   23   17 o  147.538   2.5226 -2.925232 5.045186 
1 1 1    9   23   18 o  189.620   2.3995 7.926254 4.798900 
1 1 1    9   23   19 o  183.042   2.2301 -6.152847 4.460142 
1 1 1    9   23   20 o  187.024   2.2650 1.816727 4.530080 
1 1 1    9   23   21 o   81.275   4.3809 -3.218506 8.761792 
1 1 1    9   23   22 o   16.387   5.7681 -0.3606968 11.53619 
1 1 1    9   23   23 o  132.507   3.7805 -21.58922 7.561065 
1 1 1    9   23   24 o  105.649   3.8693 0.9225769 7.738617 
1 1 1    9   23   25 o   88.866   4.5446 -6.627434 9.089173 
1 1 1    9   23   26 o   58.592   7.0336 4.907665 14.06710 
1 1 1    9   23   27 o   34.383   9.2728 3.618301 18.54567 
1 1 1    9   23   28 o   43.500   8.6094 20.37799 17.21880 
1 1 1    9   23   29 o   80.346   5.7329 2.379059 11.46575 
1 1 1    9   23   30 o   50.033   8.3971 16.15314 16.79416 
1 1 1    9   24    0 o   36.114   12.227 0.000000 0.000000 
1 1 1    9   24    1 o   79.482   6.1447 3.202919 12.28933 
1 1 1    9   24    2 o  285.062   2.0866 -1.972046 4.173119 
1 1 1    9   24    3 o  247.348   2.2233 1.862808 4.446531 
1 1 1    9   24    4 o   65.089   5.7667 -8.160954 11.53331 
1 1 1    9   24    5 o  164.895   2.4862 6.830154 4.972498 
1 1 1    9   24    6 o  154.866   2.4952 4.261566 4.990428 
1 1 1    9   24    7 o   36.787   8.6985 7.783981 17.39691 
1 1 1    9   24    8 f  139.019   3.6210 6.176987 7.241993 
1 1 1    9   24    9 o  204.258   2.9635 2.818619 5.927088 
1 1 1    9   24   10 o  124.580   3.9529 8.047836 7.905859 
1 1 1    9   24   11 o  128.665   3.9536 -2.111832 7.907158 
1 1 1    9   24   12 o   44.073   9.5556 -6.947025 19.11119 
1 1 1    9   24   13 o   38.073   9.7563 -5.624367 19.51256 
1 1 1    9   24   14 o   85.368   5.6556 11.87636 11.31117 
1 1 1    9   24   15 o   79.125   5.9538 12.55463 11.90767 
1 1 1    9   24   16 o  120.804   2.7703 2.029045 5.540580 
1 1 1    9   24   17 o   83.239   3.7904 15.31282 7.580821 
1 1 1    9   24   18 o  118.910   2.8432 8.861847 5.686344 
1 1 1    9   24   19 o  148.148   2.5207 -6.251190 5.041419 
1 1 1    9   24   20 o   78.128   4.4716 -7.436928 8.943226 
1 1 1    9   24   21 o   96.084   3.8559 -8.719582 7.711831 
1 1 1    9   24   22 o   26.640   8.0334 -0.1063862 16.06680 
1 1 1    9   24   23 o   46.295   7.9550 16.84190 15.90993 
1 1 1    9   24   24 o   79.092   5.0807 8.119377 10.16149 
1 1 1    9   24   25 o  191.405   2.5262 -2.841568 5.052342 
1 1 1    9   24   26 o   84.422   4.8520 -2.914879 9.703949 
1 1 1    9   24   27 o   41.663   8.8129 -7.205452 17.62575 
1 1 1    9   24   28 o   41.611   9.2347 6.758919 18.46944 
1 1 1    9   24   29 o   78.365   5.6845 -22.75146 11.36908 
1 1 1    9   24   30 x  ?   ?       ?      ? 
1 1 1    9   25    0 o   39.893   9.6873 0.000000 0.000000 
1 1 1    9   25    1 o  311.915   2.1321 -3.401886 4.264296 
1 1 1    9   25    2 o   27.535   8.1630 -4.081205 16.32603 
1 1 1    9   25    3 f  119.501   3.7484 -18.05714 7.496775 
1 1 1    9   25    4 o  108.392   3.6334 -2.781021 7.266877 
1 1 1    9   25    5 o  113.822   4.5063 10.52092 9.012547 
1 1 1    9   25    6 o  200.224   2.6304 2.942520 5.260898 
1 1 1    9   25    7 o   56.804   6.3246 5.948353 12.64929 
1 1 1    9   25    8 o  124.097   3.4019 12.85182 6.803774 
1 1 1    9   25    9 o  132.805   3.6827 -1.069778 7.365374 
1 1 1    9   25   10 o  109.713   4.6090 -16.61502 9.218068 
1 1 1    9   25   11 o   63.226   7.6815 -14.02666 15.36297 
1 1 1    9   25   12 o   59.762   8.4037 -18.93301 16.80748 
1 1 1    9   25   13 o  123.722   3.7887 -4.350464 7.577487 
1 1 1    9   25   14 o  112.060   4.2748 -4.949974 8.549511 
1 1 1    9   25   15 o   74.840   6.1682 -17.78497 12.33630 
1 1 1    9   25   16 o  275.003   2.2603 2.010193 4.520532 
1 1 1    9   25   17 o  107.403   2.9682 -7.515083 5.936375 
1 1 1    9   25   18 o  122.416   2.7924 -10.59445 5.584745 
1 1 1    9   25   19 o   76.636   4.2107 8.447243 8.421360 
1 1 1    9   25   20 o   82.093   4.1278 11.82085 8.255587 
1 1 1    9   25   21 o   50.497   7.1843 24.13451 14.36857 
1 1 1    9   25   22 o   39.626   8.0502 -17.38994 16.10045 
1 1 1    9   25   23 o   31.444   7.8681 -23.22915 15.73627 
1 1 1    9   25   24 o  116.359   5.2510      ?      ? 
1 1 1    9   25   25 o  111.348   3.7056 -5.975777 7.411288 
1 1 1    9   25   26 o   35.708   8.3171 20.33096 16.63417 
1 1 1    9   25   27 o   41.207   8.8882 -5.754272 17.77644 
1 1 1    9   25   28 o   75.719   5.5919 -7.234856 11.18384 
1 1 1    9   25   29 o   17.839   6.4068 -6.426446 12.81352 
1 1 1    9   26    0 o  305.759   3.3078 0.000000 0.000000 
1 1 1    9   26    1 o  139.194   2.8395 -5.075684 5.679021 
1 1 1    9   26    2 o  168.999   2.7217 -13.78725 5.443489 
1 1 1    9   26    3 f  129.926   3.4383 -4.695251 6.876546 
1 1 1    9   26    4 o  183.211   2.9899 4.717041 5.979775 
1 1 1    9   26    5 o  371.120   2.2723 8.388306 4.544603 
1 1 1    9   26    6 o   62.533   5.9512 4.517719 11.90240 
1 1 1    9   26    7 o   28.874   8.0287 2.400236 16.05738 
1 1 1    9   26    8 o  140.089   2.6015 -2.557098 5.202955 
1 1 1    9   26    9 o   74.443   6.3876 -7.421440 12.77525 
1 1 1    9   26   10 o  110.748   4.2424 -2.559380 8.484807 
1 1 1    9   26   11 o  195.643   2.8272 -4.150146 5.654356 
1 1 1    9   26   12 o   97.539   4.5620 -0.3259964 9.123950 
1 1 1    9   26   13 o   64.642   7.2131 11.17024 14.42624 
1 1 1    9   26   14 o  138.556   3.4593 8.005646 6.918537 
1 1 1    9   26   15 o  229.340   2.8782 13.88527 5.756359 
1 1 1    9   26   16 o   91.782   3.8205 2.978638 7.640985 
1 1 1    9   26   17 o   18.606   6.1811 1.964354 12.36219 
1 1 1    9   26   18 o   63.695   5.4902 -22.21615 10.98038 
1 1 1    9   26   19 o  121.654   3.8568 89.90298 7.713546 
1 1 1    9   26   20 o   83.492   3.9475 9.179955 7.894919 
1 1 1    9   26   21 o   76.638   4.5616 -2.543777 9.123262 
1 1 1    9   26   22 f   99.048   3.7195 -7.335800 7.438965 
1 1 1    9   26   23 o   40.687   7.9206 -22.03765 15.84118 
1 1 1    9   26   24 o   38.593   8.8543 3.834068 17.70868 
1 1 1    9   26   25 o   53.969   7.4335 27.73745 14.86705 
1 1 1    9   26   26 o   60.731   7.3278 28.24184 14.65556 
1 1 1    9   26   27 o   35.026   9.3238 -10.41247 18.64765 
1 1 1    9   26   28 o   30.988   9.0557 -21.59496 18.11142 
1 1 1    9   27    0 f  221.370   3.4017 0.000000 0.000000 
1 1 1    9   27    1 o  125.778   3.1094 4.456863 6.218714 
1 1 1    9   27    2 o  190.327   2.3174 -0.2828217 4.634769 
1 1 1    9   27    3 o   44.013   8.3506 0.4922104E-01 16.70119 
1 1 1    9   27    4 o  175.338   2.3927 2.513260 4.785382 
1 1 1    9   27    5 o  124.750   3.1761 -10.61141 6.352219 
1 1 1    9   27    6 o  111.006   3.4719 -11.96629 6.943813 
1 1 1    9   27    7 o  124.648   2.9752 -3.797707 5.950438 
1 1 1    9   27    8 o   38.465   8.0430 0.4740791 16.08608 
1 1 1    9   27    9 o   21.180   6.8755 -6.466711 13.75098 
1 1 1    9   27   10 o  147.406   3.2329 -3.883804 6.465899 
1 1 1    9   27   11 o   36.463   9.2505 5.263790 18.50099 
1 1 1    9   27   12 o   91.077   4.9605 3.834076 9.921077 
1 1 1    9   27   13 o   82.130   5.3734 1.476494 10.74675 
1 1 1    9   27   14 o   24.052   7.7686 -0.1468658E-02 15.53729 
1 1 1    9   27   15 o  116.787   3.7723 2.314774 7.544636 
1 1 1    9   27   16 o   25.698   7.4376 -7.541384 14.87514 
1 1 1    9   27   17 f   57.937   7.2770 -3.842392 14.55399 
1 1 1    9   27   18 o   68.275   4.6555 -7.818344 9.311088 
1 1 1    9   27   19 o  103.652   3.1937 0.2497864 6.387334 
1 1 1    9   27   20 o   27.605   7.6904 -2.974936 15.38070 
1 1 1    9   27   21 o   37.535   7.2600 -24.38635 14.52007 
1 1 1    9   27   22 o   94.337   3.8608 -1.915955 7.721519 
1 1 1    9   27   23 o   41.104   8.0359 -13.10602 16.07172 
1 1 1    9   27   24 o   34.160   8.2961 13.09714 16.59227 
1 1 1    9   27   25 o   25.930   7.9574 4.243044 15.91474 
1 1 1    9   27   26 o   44.078   8.1240 -28.01353 16.24805 
1 1 1    9   27   27 x  ?   ?       ?      ? 
1 1 1    9   28    0 o  248.005   3.2936 0.000000 0.000000 
1 1 1    9   28    1 o  121.789   3.1865 -0.9732666 6.372991 
1 1 1    9   28    2 o  162.671   2.7701 -2.837601 5.540228 
1 1 1    9   28    3 o  183.490   2.3145 -9.773117 4.629083 
1 1 1    9   28    4 o  113.327   3.1915 -0.3118134 6.382978 
1 1 1    9   28    5 o  112.431   3.2716 0.8892212 6.543170 
1 1 1    9   28    6 o  112.650   3.1817 -6.777588 6.363464 
1 1 1    9   28    7 f   25.864   7.5645 -1.582893 15.12892 
1 1 1    9   28    8 o   45.261   7.2313 -0.1713905 14.46270 
1 1 1    9   28    9 o   44.838   7.2337 -3.987610 14.46740 
1 1 1    9   28   10 o   23.220   6.7744 -22.66324 13.54881 
1 1 1    9   28   11 o   43.796   9.0286 5.766541 18.05722 
1 1 1    9   28   12 o  184.250   2.5700 4.138107 5.139904 
1 1 1    9   28   13 o   90.368   4.8244 -4.723984 9.648791 
1 1 1    9   28   14 o   55.933   7.8827 3.779930 15.76537 
1 1 1    9   28   15 o   73.176   5.9498 -1.194901 11.89964 
1 1 1    9   28   16 o  132.418   2.8188 2.536209 5.637698 
1 1 1    9   28   17 f   43.406   6.8946 7.277676 13.78917 
1 1 1    9   28   18 o   28.738   7.6354 -4.204815 15.27070 
1 1 1    9   28   19 o  108.997   3.0682 7.689980 6.136302 
1 1 1    9   28   20 o   52.240   6.5038 22.43377 13.00752 
1 1 1    9   28   21 o   23.244   7.0733 -10.65416 14.14652 
1 1 1    9   28   22 o   35.254   8.4401 2.969669 16.88024 
1 1 1    9   28   23 o   26.080   7.9114 3.002966 15.82281 
1 1 1    9   28   24 o   25.164   7.5417 -12.18527 15.08336 
1 1 1    9   28   25 o   33.768   8.3123 -21.33770 16.62461 
1 1 1    9   28   26 o   46.289   8.0053 -58.91378 16.01055 
1 1 1    9   29    0 o   56.661   11.144 0.000000 0.000000 
1 1 1    9   29    1 o   73.434   5.0533 7.631180 10.10665 
1 1 1    9   29    2 o   40.248   8.4226 1.106823 16.84523 
1 1 1    9   29    3 o   19.797   6.5844 -8.393761 13.16875 
1 1 1    9   29    4 o   65.235   5.5486 -9.743107 11.09721 
1 1 1    9   29    5 o   50.810   6.7921 4.894508 13.58411 
1 1 1    9   29    6 o  110.187   3.1034 9.154060 6.206865 
1 1 1    9   29    7 o   52.924   6.4626 15.30539 12.92529 
1 1 1    9   29    8 o   47.417   6.4081 -36.68203 12.81622 
1 1 1    9   29    9 o  138.603   2.5419 2.430023 5.083768 
1 1 1    9   29   10 o   40.508   7.5157 -8.974514 15.03148 
1 1 1    9   29   11 f  169.372   2.3977 1.263092 4.795439 
1 1 1    9   29   12 o   12.082   6.1438      ?      ? 
1 1 1    9   29   13 o   75.701   8.1967      ?      ? 
1 1 1    9   29   14 o   91.874   6.2761      ?      ? 
1 1 1    9   29   15 o  177.439   2.7605 -0.8211670 5.520926 
1 1 1    9   29   16 o   34.627   7.8911 -11.01023 15.78219 
1 1 1    9   29   17 o   84.319   3.7432 -6.292465 7.486387 
1 1 1    9   29   18 o   30.117   7.9384 0.2363091 15.87670 
1 1 1    9   29   19 o   64.462   5.2259 3.192242 10.45172 
1 1 1    9   29   20 o   37.715   7.8151 -10.60994 15.63019 
1 1 1    9   29   21 o   44.461   8.0404 -2.685932 16.08076 
1 1 1    9   29   22 f   29.964   7.6363 -18.11822 15.27262 
1 1 1    9   29   23 o   58.118   7.0584 17.36515 14.11677 
1 1 1    9   29   24 o   24.147   7.6493 -4.989254 15.29862 
1 1 1    9   30    0 o   78.873   7.0640 0.000000 0.000000 
1 1 1    9   30    1 o   99.838   3.5927 6.131775 7.185442 
1 1 1    9   30    2 o   76.067   4.6495 -10.37971 9.298944 
1 1 1    9   30    3 o   64.465   5.4931 -2.055794 10.98617 
1 1 1    9   30    4 o   71.485   4.6679 8.277573 9.335869 
1 1 1    9   30    5 o   68.667   4.7186 -4.226883 9.437292 
1 1 1    9   30    6 o   23.107   7.1559 -9.006914 14.31178 
1 1 1    9   30    7 o   24.179   7.3133 -7.996788 14.62651 
1 1 1    9   30    8 o  124.010   2.6971 -1.434952 5.394273 
1 1 1    9   30    9 o   15.524   5.4437 -2.189739 10.88741 
1 1 1    9   30   10 o   34.464   8.2468 -10.65505 16.49350 
1 1 1    9   30   11 o   96.384   3.9740 13.69394 7.948007 
1 1 1    9   30   12 o   69.382   4.6358 3.166756 9.271651 
1 1 1    9   30   13 o   26.508   7.8060 6.419563 15.61199 
1 1 1    9   30   14 o   39.428   8.2729 0.9799576E-01 16.54582 
1 1 1    9   30   15 o   36.016   8.5753 6.310356 17.15060 
1 1 1    9   30   16 o   60.128   4.7384 -5.396999 9.476780 
1 1 1    9   30   17 o   85.620   3.7083 -12.12169 7.416659 
1 1 1    9   30   18 o   53.163   6.6006 -10.85865 13.20124 
1 1 1    9   30   19 o   36.089   8.9917 3.848167 17.98342 
1 1 1    9   30   20 o   77.540   4.4063 6.863434 8.812559 
1 1 1    9   30   21 f   29.484   8.1515 6.799782 16.30308 
1 1 1    9   30   22 o   57.232   6.8036 12.78248 13.60716 
1 1 1    9   30   23 o   78.075   4.8801 -25.43655 9.760242 
1 1 1    9   31    0 o   46.917   10.183 0.000000 0.000000 
1 1 1    9   31    1 o   92.707   3.9413 -10.80563 7.882564 
1 1 1    9   31    2 o   67.257   5.3928 16.76395 10.78561 
1 1 1    9   31    3 o   26.530   7.9250 15.94718 15.84990 
1 1 1    9   31    4 o   34.038   8.1303 -5.772797 16.26057 
1 1 1    9   31    5 o   50.000   6.8515 13.59980 13.70291 
1 1 1    9   31    6 o   52.645   7.6262 -11.00629 15.25247 
1 1 1    9   31    7 o  121.056   4.6330 10.67010 9.265909 
1 1 1    9   31    8 o   79.837   4.9815 22.01876 9.962909 
1 1 1    9   31    9 o   19.852   6.5677 1.588461 13.13537 
1 1 1    9   31   10 o   26.407   7.2493 9.413757 14.49869 
1 1 1    9   31   11 o   49.319   6.8327 -1.736210 13.66531 
1 1 1    9   31   12 o  111.016   2.7431 16.05153 5.486125 
1 1 1    9   31   13 o   44.226   6.2787 15.07808 12.55734 
1 1 1    9   31   14 o   23.807   6.7268 -11.60711 13.45357 
1 1 1    9   31   15 o   17.828   5.9698 0.3798294E-01 11.93954 
1 1 1    9   31   16 o   78.076   4.0600 -5.660172 8.119966 
1 1 1    9   31   17 o   55.049   5.7303 6.166523 11.46055 
1 1 1    9   31   18 f   19.983   6.4887 -6.617603 12.97743 
1 1 1    9   31   19 o   67.567   5.3731 -17.51501 10.74619 
1 1 1    9   31   20 o   36.780   7.7454 -19.10341 15.49072 
1 1 1    9   31   21 o   80.171   4.4957 -7.986038 8.991379 
1 1 1    9   31   22 o   36.773   7.1632 -38.96034 14.32630 
1 1 1    9   32    0 o  108.002   5.4780 0.000000 0.000000 
1 1 1    9   32    1 x  ?   ?       ?      ? 
1 1 1    9   32    2 o   15.775   5.5530 0.9560146 11.10602 
1 1 1    9   32    3 x  ?   ?       ?      ? 
1 1 1    9   32    4 x  ?   ?       ?      ? 
1 1 1    9   32    5 o  137.770   2.5813 0.5690918 5.162514 
1 1 1    9   32    6 o   22.175   7.0198 -2.593582 14.03956 
1 1 1    9   32    7 o   63.575   5.0956 -16.68833 10.19120 
1 1 1    9   32    8 o   32.580   8.1606 -2.371021 16.32117 
1 1 1    9   32    9 o   43.816   7.4600 -7.109749 14.92009 
1 1 1    9   32   10 o   73.885   4.4094 -0.2898865 8.818829 
1 1 1    9   32   11 o   18.356   6.1989 -1.213446 12.39788 
1 1 1    9   32   12 o  111.253   2.8838 -19.01440 5.767684 
1 1 1    9   32   13 o   72.549   4.2233 -1.392303 8.446670 
1 1 1    9   32   14 o   94.704   3.3423 -7.892265 6.684585 
1 1 1    9   32   15 o   39.048   7.4854 13.69506 14.97070 
1 1 1    9   32   16 o   65.051   4.8147 -8.610943 9.629350 
1 1 1    9   32   17 o   21.385   6.7692 6.958860 13.53839 
1 1 1    9   32   18 o  101.888   3.2173 2.934151 6.434616 
1 1 1    9   32   19 o   22.412   7.1311 -1.657934 14.26220 
1 1 1    9   32   20 o   73.600   5.3102 -8.339188 10.62033 
1 1 1    9   33    0 o   29.624   11.747 0.000000 0.000000 
1 1 1    9   33    1 o   65.094   5.3160 -1.559723 10.63197 
1 1 1    9   33    2 o   46.097   7.5235 -2.659538 15.04693 
1 1 1    9   33    3 o   30.426   8.1546 0.1841278 16.30929 
1 1 1    9   33    4 o   46.186   7.2013 -16.81580 14.40263 
1 1 1    9   33    5 o   56.472   6.1095 4.333920 12.21903 
1 1 1    9   33    6 o   19.624   6.5122 -1.531761 13.02436 
1 1 1    9   33    7 o   23.207   7.2434 -6.361952 14.48670 
1 1 1    9   33    8 o   85.529   4.2870 22.13255 8.574000 
1 1 1    9   33    9 o   21.476   6.8939 0.9117413 13.78770 
1 1 1    9   33   10 o   40.296   7.6821 13.82802 15.36428 
1 1 1    9   33   11 o   56.284   6.2552 10.18181 12.51048 
1 1 1    9   33   12 o   64.605   4.8141 3.318459 9.628250 
1 1 1    9   33   13 o   73.094   4.3201 19.54226 8.640270 
1 1 1    9   33   14 o   62.248   5.2474 -6.452801 10.49472 
1 1 1    9   33   15 o   49.055   6.3874 7.937363 12.77486 
1 1 1    9   33   16 o   28.737   7.6304 11.19495 15.26084 
1 1 1    9   33   17 o   36.203   7.8029 -4.645187 15.60583 
1 1 1    9   33   18 o   61.159   5.4537 13.49557 10.90746 
1 1 1    9   34    0 o   36.965   11.438 0.000000 0.000000 
1 1 1    9   34    1 o   44.111   7.6739 27.10004 15.34785 
1 1 1    9   34    2 o   86.742   4.8218 18.21723 9.643529 
1 1 1    9   34    3 o   80.722   4.3172 13.55933 8.634452 
1 1 1    9   34    4 f   28.131   7.9468 -4.265537 15.89353 
1 1 1    9   34    5 o   48.319   6.9712 12.81387 13.94237 
1 1 1    9   34    6 o   48.625   7.1090 -3.305779 14.21800 
1 1 1    9   34    7 o  105.502   3.2676 -1.583046 6.535175 
1 1 1    9   34    8 o   45.950   7.4421 -7.696342 14.88423 
1 1 1    9   34    9 o   67.199   5.1293 -2.914108 10.25861 
1 1 1    9   34   10 o   26.518   7.7884 -10.58782 15.57684 
1 1 1    9   34   11 o   38.358   8.1062 -18.53374 16.21234 
1 1 1    9   34   12 o   19.220   6.3831 3.927532 12.76614 
1 1 1    9   34   13 o   54.597   5.8984 12.56565 11.79674 
1 1 1    9   34   14 o   75.629   4.1281 -1.190842 8.256103 
1 1 1    9   34   15 o   23.714   7.1474 -2.318354 14.29471 
1 1 1    9   34   16 o   23.443   7.2210 7.735550 14.44200 
1 1 1    9   35    0 o   18.945   9.3265 0.000000 0.000000 
1 1 1    9   35    1 o   27.664   8.0394 4.550970 16.07872 
1 1 1    9   35    2 o   36.345   8.9654 10.90014 17.93088 
1 1 1    9   35    3 o   50.730   7.1485 1.531757 14.29708 
1 1 1    9   35    4 o   79.362   4.4386 -4.318398 8.877211 
1 1 1    9   35    5 o   34.363   8.0384 11.85343 16.07677 
1 1 1    9   35    6 o   44.658   6.7029 -37.77641 13.40578 
1 1 1    9   35    7 o   19.064   6.4149 2.237061 12.82986 
1 1 1    9   35    8 o   55.190   6.4620 4.341068 12.92409 
1 1 1    9   35    9 o   35.740   8.2359 -14.44996 16.47188 
1 1 1    9   35   10 o   33.495   8.5669 0.9346313 17.13387 
1 1 1    9   35   11 o   42.240   8.4076 -1.322250 16.81511 
1 1 1    9   35   12 o   27.251   7.6995 11.89717 15.39905 
1 1 1    9   35   13 o   44.357   7.7140 1.496735 15.42793 
1 1 1    9   35   14 o   34.410   8.0210 20.08100 16.04208 
1 1 1    9   36    0 o   37.834   12.098 0.000000 0.000000 
1 1 1    9   36    1 o   24.020   7.5781 0.5145550 15.15621 
1 1 1    9   36    2 o   22.867   7.2900 -2.838623 14.58008 
1 1 1    9   36    3 o   35.955   7.6987 19.47956 15.39734 
1 1 1    9   36    4 o   29.524   8.0982 -7.146469 16.19635 
1 1 1    9   36    5 o   39.552   8.2590 0.5324745 16.51797 
1 1 1    9   36    6 o   88.195   4.0568 -9.004211 8.113575 
1 1 1    9   36    7 o   85.370   4.2872 11.47375 8.574407 
1 1 1    9   36    8 o   34.363   8.3455 -7.115992 16.69109 
1 1 1    9   36    9 o   78.047   4.7686 -17.66068 9.537140 
1 1 1    9   36   10 o   18.327   6.3354 -6.329909 12.67086 
1 1 1    9   36   11 o   39.757   8.7728 -17.01080 17.54561 
1 1 1    9   37    0 o   38.328   12.344 0.000000 0.000000 
1 1 1    9   37    1 o   26.417   7.7717 -3.320072 15.54334 
1 1 1    9   37    2 o   29.697   8.1449 -2.291290 16.28971 
1 1 1    9   37    3 o   38.650   7.6365 16.82617 15.27303 
1 1 1    9   37    4 o   22.750   7.0327 -10.84460 14.06538 
1 1 1    9   37    5 o   22.339   7.0624 -7.390312 14.12480 
1 1 1    9   37    6 o   40.867   6.4110 35.42876 12.82200 
1 1 1    9   37    7 o   47.188   7.6340 -2.172237 15.26793 
1 1 1   10    0    0 o  140.838   2.0179 0.000000 0.000000 
1 1 1   10    0    1 o   36.861   3.5690 0.000000 0.000000 
1 1 1   10    0    2 o  281.716   2.1623 0.000000 0.000000 
1 1 1   10    0    3 o  195.481   1.6419 0.000000 0.000000 
1 1 1   10    0    4 o  227.357   1.8444 0.000000 0.000000 
1 1 1   10    0    5 o  160.515   1.5886 0.000000 0.000000 
1 1 1   10    0    6 o  106.694   1.8384 0.000000 0.000000 
1 1 1   10    0    7 o  264.802   2.1253 0.000000 0.000000 
1 1 1   10    0    8 o  270.169   2.6869 0.000000 0.000000 
1 1 1   10    0    9 o  123.873   2.0086 0.000000 0.000000 
1 1 1   10    0   10 o  355.640   2.7453 0.000000 0.000000 
1 1 1   10    0   11 o  571.896   4.2739 0.000000 0.000000 
1 1 1   10    0   12 o  130.440   2.2582 0.000000 0.000000 
1 1 1   10    0   13 o  403.649   3.1093 0.000000 0.000000 
1 1 1   10    0   14 o  398.884   4.3622 0.000000 0.000000 
1 1 1   10    0   15 o  376.958   2.9748 0.000000 0.000000 
1 1 1   10    0   16 o  169.969   3.0074 0.000000 0.000000 
1 1 1   10    0   17 o  477.806   4.2503 0.000000 0.000000 
1 1 1   10    0   18 o  611.185   5.3330 0.000000 0.000000 
1 1 1   10    0   19 o  400.082   3.7580 0.000000 0.000000 
1 1 1   10    0   20 f   25.491   11.018 0.000000 0.000000 
1 1 1   10    0   21 o  519.692   4.7229 0.000000 0.000000 
1 1 1   10    0   22 o  276.808   3.5808 0.000000 0.000000 
1 1 1   10    0   23 o   40.872   14.299 0.000000 0.000000 
1 1 1   10    0   24 x  ?   ?       ?      ? 
1 1 1   10    0   25 o  195.409   4.9480 0.000000 0.000000 
1 1 1   10    0   26 o  208.287   4.2782 0.000000 0.000000 
1 1 1   10    0   27 o   93.916   8.8000 0.000000 0.000000 
1 1 1   10    0   28 o   72.802   13.210 0.000000 0.000000 
1 1 1   10    0   29 o   87.705   10.924 0.000000 0.000000 
1 1 1   10    0   30 o   23.498   10.982 0.000000 0.000000 
1 1 1   10    0   31 o   93.144   8.9625 0.000000 0.000000 
1 1 1   10    0   32 o   29.218   13.307 0.000000 0.000000 
1 1 1   10    0   33 o   37.302   13.349 0.000000 0.000000 
1 1 1   10    0   34 o   24.175   11.504 0.000000 0.000000 
1 1 1   10    0   35 f   24.086   11.497 0.000000 0.000000 
1 1 1   10    0   36 o   22.698   11.098 0.000000 0.000000 
1 1 1   10    0   37 o   21.482   10.610 0.000000 0.000000 
1 1 1   10    0   38 o   18.345   9.2812 0.000000 0.000000 
1 1 1   10    1    0 o   98.676   1.5154 0.000000 0.000000 
1 1 1   10    1    1 o  164.785   1.0549 -3.305511 2.109818 
1 1 1   10    1    2 o  278.803   1.5157 0.4797974 3.031363 
1 1 1   10    1    3 o   59.260   1.6888 0.4228706 3.377635 
1 1 1   10    1    4 o   38.462   2.7093 -1.891613 5.418569 
1 1 1   10    1    5 o  403.280   2.1413 -4.419464 4.282550 
1 1 1   10    1    6 o  518.438   2.7311 0.7729492 5.462216 
1 1 1   10    1    7 o  216.716   1.3204 -2.875839 2.640776 
1 1 1   10    1    8 o  472.617   2.5045 -2.130829 5.009050 
1 1 1   10    1    9 o  173.018   1.2995 -1.870010 2.598992 
1 1 1   10    1   10 o  253.741   1.6264 0.2412720 3.252851 
1 1 1   10    1   11 o  187.763   1.3664 -1.914856 2.732849 
1 1 1   10    1   12 o   90.552   2.0198 -6.094498 4.039554 
1 1 1   10    1   13 o   99.014   2.0485 -0.1771393 4.096965 
1 1 1   10    1   14 o  186.718   1.5085 3.720627 3.016915 
1 1 1   10    1   15 o  236.169   1.6986 3.655228 3.397140 
1 1 1   10    1   16 o  369.035   2.3239 0.2359924 4.647867 
1 1 1   10    1   17 o  223.941   1.8688 5.922745 3.737518 
1 1 1   10    1   18 o  157.455   2.4702 -8.184967 4.940413 
1 1 1   10    1   19 o   75.462   4.6598 0.2728195 9.319519 
1 1 1   10    1   20 o  368.677   2.5088 -2.979797 5.017692 
1 1 1   10    1   21 o   19.089   6.6028 -1.076866 13.20551 
1 1 1   10    1   22 o  551.169   4.0104 3.996094 8.020802 
1 1 1   10    1   23 o  372.899   2.4275 -4.949982 4.854906 
1 1 1   10    1   24 o  313.230   2.5924 5.665222 5.184711 
1 1 1   10    1   25 o   39.469   8.6519 -31.40840 17.30380 
1 1 1   10    1   26 o  112.124   5.8132 10.32578 11.62646 
1 1 1   10    1   27 o  117.243   4.4676 6.882545 8.935190 
1 1 1   10    1   28 o   90.860   5.5840 5.640030 11.16794 
1 1 1   10    1   29 o   56.401   9.4639 20.68957 18.92779 
1 1 1   10    1   30 o   81.663   6.4948 14.69854 12.98961 
1 1 1   10    1   31 o   62.195   8.2450 -10.85369 16.48996 
1 1 1   10    1   32 o   62.965   8.6078 -30.39192 17.21559 
1 1 1   10    1   33 o   62.297   9.5975 3.594334 19.19507 
1 1 1   10    1   34 o   28.973   9.2119 0.2863045 18.42384 
1 1 1   10    1   35 o   31.278   9.4448 12.53693 18.88953 
1 1 1   10    1   36 o   31.549   9.4624 -12.27625 18.92470 
1 1 1   10    1   37 o   34.014   9.9722 2.518257 19.94436 
1 1 1   10    1   38 o   30.346   8.5653 14.26876 17.13060 
1 1 1   10    2    0 o  255.733   1.9919 0.000000 0.000000 
1 1 1   10    2    1 o  212.240   1.2207 -0.1910400E-01 2.441341 
1 1 1   10    2    2 o  155.882   1.0555 -1.624359 2.110908 
1 1 1   10    2    3 f  259.905   1.4348 -2.910858 2.869548 
1 1 1   10    2    4 o  362.682   1.9341 -0.4379578 3.868254 
1 1 1   10    2    5 o  487.675   2.5706 -0.1758423 5.141168 
1 1 1   10    2    6 f  404.116   2.1514 -4.241058 4.302829 
1 1 1   10    2    7 o  118.499   1.3070 1.857117 2.613976 
1 1 1   10    2    8 o  393.682   2.1119 -2.212952 4.223704 
1 1 1   10    2    9 o  185.370   1.3056 -0.8432770 2.611109 
1 1 1   10    2   10 o  165.581   1.4418 0.9062195 2.883577 
1 1 1   10    2   11 o  204.169   1.3864 -1.458923 2.772792 
1 1 1   10    2   12 o  189.242   1.4190 -0.1443481E-01 2.838028 
1 1 1   10    2   13 o  464.974   2.4928 -3.160461 4.985574 
1 1 1   10    2   14 o  307.007   1.9260 6.157379 3.851998 
1 1 1   10    2   15 o  301.663   1.8788 -1.117767 3.757534 
1 1 1   10    2   16 o  315.070   2.0574 -0.6783752 4.114755 
1 1 1   10    2   17 o  322.151   2.0043 2.627258 4.008567 
1 1 1   10    2   18 o  449.844   2.5222 5.344055 5.044409 
1 1 1   10    2   19 o   85.242   4.3679 3.407440 8.735761 
1 1 1   10    2   20 o   87.151   4.8652 8.605682 9.730412 
1 1 1   10    2   21 o  122.144   3.6832 -1.173439 7.366450 
1 1 1   10    2   22 o  256.648   3.0253 -9.500015 6.050604 
1 1 1   10    2   23 o  354.837   2.5804 0.9374695 5.160743 
1 1 1   10    2   24 o  122.366   6.1091 54.41190 12.21810 
1 1 1   10    2   25 o  194.239   2.8887 2.376007 5.777432 
1 1 1   10    2   26 o  163.950   3.3298 2.657654 6.659683 
1 1 1   10    2   27 o   40.650   10.561 -6.612503 21.12262 
1 1 1   10    2   28 o   28.665   9.1174 0.5346870 18.23476 
1 1 1   10    2   29 o  172.145   3.3043 -1.410629 6.608674 
1 1 1   10    2   30 o  200.430   2.9572 5.902573 5.914303 
1 1 1   10    2   31 o   53.310   9.5648 -10.45264 19.12958 
1 1 1   10    2   32 o   53.230   9.6112 -6.332783 19.22241 
1 1 1   10    2   33 o   79.720   6.4418 -3.577049 12.88358 
1 1 1   10    2   34 o   32.964   9.5581 -12.66571 19.11629 
1 1 1   10    2   35 o   62.721   9.4181 -6.665428 18.83625 
1 1 1   10    2   36 o   26.502   8.7500 4.660862 17.49998 
1 1 1   10    2   37 o   42.372   9.8638 -25.94177 19.72760 
1 1 1   10    2   38 o   38.679   9.2625 14.43709 18.52500 
1 1 1   10    3    0 o   58.930   2.2896 0.000000 0.000000 
1 1 1   10    3    1 o  282.864   1.5362 -2.644348 3.072415 
1 1 1   10    3    2 o  258.882   1.5401 7.238220 3.080139 
1 1 1   10    3    3 o  108.770   1.2005 -4.212814 2.400985 
1 1 1   10    3    4 o  603.648   3.1673 0.6596069 6.334509 
1 1 1   10    3    5 o  188.403   1.1860 -2.962906 2.372052 
1 1 1   10    3    6 o  146.052   1.1729 -3.208054 2.345760 
1 1 1   10    3    7 f  508.250   2.6839 -7.309113 5.367880 
1 1 1   10    3    8 o  256.024   1.4797 -0.1171570 2.959442 
1 1 1   10    3    9 o  189.623   1.3050 0.2232056 2.610036 
1 1 1   10    3   10 o  229.152   1.4283 0.1195679 2.856663 
1 1 1   10    3   11 o  301.301   1.7121 0.9147034 3.424228 
1 1 1   10    3   12 o  124.219   2.1396 -15.63210 4.279119 
1 1 1   10    3   13 f  240.868   1.5482 1.597580 3.096324 
1 1 1   10    3   14 o  159.898   1.7199 2.368652 3.439804 
1 1 1   10    3   15 o  354.237   2.1828 0.8649597 4.365510 
1 1 1   10    3   16 o  273.334   1.8436 -0.5439148 3.687200 
1 1 1   10    3   17 o  232.549   1.9619 -1.177383 3.923895 
1 1 1   10    3   18 o  267.339   1.9238 2.890198 3.847550 
1 1 1   10    3   19 o  239.244   2.0120 0.5200043 4.023973 
1 1 1   10    3   20 x  ?   ?       ?      ? 
1 1 1   10    3   21 o   43.970   8.7214 -21.41972 17.44286 
1 1 1   10    3   22 o  595.148   6.5609      ?      ? 
1 1 1   10    3   23 o  305.261   2.3668 0.1713867 4.733667 
1 1 1   10    3   24 f  307.111   2.6911 -0.1352844 5.382233 
1 1 1   10    3   25 o  189.632   2.9556 3.104233 5.911246 
1 1 1   10    3   26 o  198.844   3.2894 -5.483154 6.578820 
1 1 1   10    3   27 o   81.561   7.1719 16.45026 14.34387 
1 1 1   10    3   28 o   30.087   9.4226 2.077759 18.84527 
1 1 1   10    3   29 f   95.309   6.0190 -0.8649216 12.03799 
1 1 1   10    3   30 o  164.818   3.4812 -8.029922 6.962396 
1 1 1   10    3   31 o  104.501   5.1630 -4.662674 10.32593 
1 1 1   10    3   32 o   63.207   9.2522 32.47372 18.50446 
1 1 1   10    3   33 o   39.543   10.111 -4.094219 20.22230 
1 1 1   10    3   34 o   70.543   7.2905 -1.119377 14.58092 
1 1 1   10    3   35 o   50.449   9.5658 16.50069 19.13165 
1 1 1   10    3   36 o   38.358   9.6082 15.89960 19.21650 
1 1 1   10    3   37 o   30.650   9.1672 7.313992 18.33449 
1 1 1   10    3   38 o   71.530   6.7796 1.471970 13.55911 
1 1 1   10    4    0 o  152.864   1.4923 0.000000 0.000000 
1 1 1   10    4    1 o  207.430   1.2075 2.363708 2.415036 
1 1 1   10    4    2 o  263.796   1.4509 0.4276733 2.901871 
1 1 1   10    4    3 o  113.262   1.1271 4.419510 2.254137 
1 1 1   10    4    4 o   24.696   4.2795 6.413057 8.558942 
1 1 1   10    4    5 o  138.564   1.1461 -1.095734 2.292204 
1 1 1   10    4    6 o  485.938   2.5667 1.522552 5.133474 
1 1 1   10    4    7 f   36.969   3.4642 4.679733 6.928396 
1 1 1   10    4    8 o   54.010   2.5994 5.232857 5.198855 
1 1 1   10    4    9 o  370.900   2.0097 -3.229095 4.019376 
1 1 1   10    4   10 o  330.596   1.8294 -0.2806702 3.658732 
1 1 1   10    4   11 o  263.808   1.5655 0.6179810E-01 3.130946 
1 1 1   10    4   12 o  632.752   3.6047 -1.494507 7.209335 
1 1 1   10    4   13 o  243.610   1.6894 -0.8845520E-01 3.378850 
1 1 1   10    4   14 o  177.236   1.7482 0.5778503E-01 3.496336 
1 1 1   10    4   15 o  532.652   3.6871 -9.024353 7.374154 
1 1 1   10    4   16 o  192.872   2.2880 16.41722 4.576020 
1 1 1   10    4   17 o  415.054   2.5147 0.3698425 5.029325 
1 1 1   10    4   18 o  262.685   2.1189 1.065155 4.237824 
1 1 1   10    4   19 o   78.593   4.6865 -5.131844 9.373055 
1 1 1   10    4   20 o  288.445   2.9633 62.09790 5.926599 
1 1 1   10    4   21 o  354.189   2.3247 0.4846497 4.649465 
1 1 1   10    4   22 o  346.784   2.3921 -1.256256 4.784220 
1 1 1   10    4   23 o  528.272   2.9847 -1.728577 5.969491 
1 1 1   10    4   24 o   47.925   9.8435 -10.03107 19.68697 
1 1 1   10    4   25 o  328.551   2.6693 -1.694641 5.338647 
1 1 1   10    4   26 o  250.016   2.8087 3.332596 5.617433 
1 1 1   10    4   27 o  133.173   4.4124 -0.8523407 8.824881 
1 1 1   10    4   28 o  103.743   5.4721 5.237305 10.94417 
1 1 1   10    4   29 o   50.968   10.191 -2.931953 20.38119 
1 1 1   10    4   30 o   51.718   9.9852 -15.78748 19.97047 
1 1 1   10    4   31 o   80.873   7.1449 1.295624 14.28981 
1 1 1   10    4   32 o  130.234   5.0390 26.53757 10.07808 
1 1 1   10    4   33 o   83.195   6.3233 -6.951859 12.64660 
1 1 1   10    4   34 o   51.178   9.3532 -24.34718 18.70630 
1 1 1   10    4   35 o   38.302   10.133 -1.204426 20.26604 
1 1 1   10    4   36 o   54.242   9.5527 -23.18231 19.10532 
1 1 1   10    4   37 o   29.669   8.9619 7.347715 17.92372 
1 1 1   10    4   38 o   48.795   8.3103 -38.96057 16.62070 
1 1 1   10    5    0 o  158.340   1.5140 0.000000 0.000000 
1 1 1   10    5    1 o  416.712   2.2035 -0.1272583 4.407025 
1 1 1   10    5    2 o  364.184   1.9401 0.6048279 3.880146 
1 1 1   10    5    3 o  421.165   2.2293 -0.7220459E-01 4.458565 
1 1 1   10    5    4 o  296.791   1.6198 -2.786316 3.239503 
1 1 1   10    5    5 o  358.051   1.9213 4.795624 3.842669 
1 1 1   10    5    6 o  213.458   1.3001 -0.1561127 2.600289 
1 1 1   10    5    7 o  130.827   1.2555 0.7471771 2.511019 
1 1 1   10    5    8 o  107.385   1.4348 0.2117996 2.869569 
1 1 1   10    5    9 o   97.357   1.8005 -0.8065033 3.601048 
1 1 1   10    5   10 o  102.639   1.6828 2.393173 3.365592 
1 1 1   10    5   11 o  492.042   2.6188 -0.7641602E-01 5.237697 
1 1 1   10    5   12 o  147.309   1.5000 1.338348 2.999952 
1 1 1   10    5   13 o  430.701   3.0159 2.163422 6.031814 
1 1 1   10    5   14 o  503.649   2.7886 1.918365 5.577103 
1 1 1   10    5   15 o  596.209   3.2743 2.562378 6.548676 
1 1 1   10    5   16 o  333.971   2.0500 1.507660 4.099940 
1 1 1   10    5   17 o  468.648   2.6496 4.959137 5.299193 
1 1 1   10    5   18 o  476.958   2.6552 -1.891052 5.310361 
1 1 1   10    5   19 o   82.305   4.3638 -0.6867981 8.727676 
1 1 1   10    5   20 o  512.693   3.0792 6.094757 6.158417 
1 1 1   10    5   21 o  248.988   2.7601 -13.29631 5.520280 
1 1 1   10    5   22 o   20.099   6.9835 3.883215 13.96693 
1 1 1   10    5   23 o  134.071   3.7188 5.745117 7.437575 
1 1 1   10    5   24 o  239.074   2.8819 -7.409195 5.763707 
1 1 1   10    5   25 o  192.306   3.1597 -0.2555389 6.319377 
1 1 1   10    5   26 o  110.201   5.2885 15.59030 10.57693 
1 1 1   10    5   27 o  134.842   4.3975 -10.37492 8.795049 
1 1 1   10    5   28 o   33.870   9.5965 12.15671 19.19299 
1 1 1   10    5   29 o  105.645   5.2043 -7.858505 10.40859 
1 1 1   10    5   30 o  197.108   3.0588 6.311218 6.117519 
1 1 1   10    5   31 o   95.303   5.4789 8.278519 10.95788 
1 1 1   10    5   32 o  106.180   5.3919 10.60412 10.78382 
1 1 1   10    5   33 o  142.585   4.3488 -17.13837 8.697522 
1 1 1   10    5   34 o   86.250   6.1904 -17.62354 12.38080 
1 1 1   10    5   35 o   83.315   6.2246 -16.80222 12.44922 
1 1 1   10    5   36 o   29.051   9.0902 -6.628319 18.18045 
1 1 1   10    5   37 o   91.811   5.5685 -5.819939 11.13707 
1 1 1   10    5   38 o   26.027   8.3927 -10.07340 16.78537 
1 1 1   10    6    0 o  495.422   3.6900 0.000000 0.000000 
1 1 1   10    6    1 o  419.134   2.2181 4.386627 4.436219 
1 1 1   10    6    2 o  141.042   1.0561 -1.629837 2.112270 
1 1 1   10    6    3 o  264.266   1.4684 -1.242371 2.936831 
1 1 1   10    6    4 o  469.728   2.4807 0.2972412E-01 4.961406 
1 1 1   10    6    5 o  515.553   2.7180 0.7244873E-01 5.436027 
1 1 1   10    6    6 o   57.201   2.0844 -0.1346359 4.168752 
1 1 1   10    6    7 f  163.007   1.2269 -0.4249420 2.453862 
1 1 1   10    6    8 o  259.439   1.5069 -4.346588 3.013699 
1 1 1   10    6    9 o   91.330   1.8228 0.3633194 3.645617 
1 1 1   10    6   10 o  507.718   2.6939 3.953583 5.387863 
1 1 1   10    6   11 o  456.504   2.8253 12.44785 5.650547 
1 1 1   10    6   12 o   59.742   3.6671 1.859924 7.334121 
1 1 1   10    6   13 o  381.460   2.1795 -0.3909302E-01 4.358924 
1 1 1   10    6   14 o  433.414   2.4412 4.000397 4.882319 
1 1 1   10    6   15 o  215.141   1.7655 4.580017 3.530980 
1 1 1   10    6   16 o  392.913   2.2930 1.049164 4.586026 
1 1 1   10    6   17 o  380.606   2.2621 -4.485718 4.524282 
1 1 1   10    6   18 o  455.653   2.5499 4.667816 5.099865 
1 1 1   10    6   19 o  203.723   2.6992 -0.1558380 5.398308 
1 1 1   10    6   20 o  328.091   2.4341 -6.290955 4.868288 
1 1 1   10    6   21 o   32.978   8.5701 -20.18933 17.14030 
1 1 1   10    6   22 f   90.677   5.1712 7.595726 10.34246 
1 1 1   10    6   23 o  294.345   3.2070 4.028259 6.414094 
1 1 1   10    6   24 o  173.339   3.3671 3.593292 6.734168 
1 1 1   10    6   25 o  254.188   2.7561 3.198166 5.512231 
1 1 1   10    6   26 o  202.662   3.0422 -8.335129 6.084476 
1 1 1   10    6   27 o   65.971   8.9199 21.18711 17.83989 
1 1 1   10    6   28 o  121.441   4.9828 18.99316 9.965640 
1 1 1   10    6   29 o  118.237   4.6580 -4.276543 9.316053 
1 1 1   10    6   30 o  173.580   3.3590 -6.487915 6.717947 
1 1 1   10    6   31 o   42.194   10.169 -3.459267 20.33782 
1 1 1   10    6   32 o   45.802   10.169 -5.024498 20.33878 
1 1 1   10    6   33 o   45.819   10.096 -6.754932 20.19170 
1 1 1   10    6   34 o   72.100   7.7932 7.415703 15.58650 
1 1 1   10    6   35 o   38.872   10.408 3.363358 20.81663 
1 1 1   10    6   36 o   96.263   5.4190 9.089928 10.83796 
1 1 1   10    6   37 o   26.462   8.5177 -11.41068 17.03530 
1 1 1   10    6   38 o   17.146   6.1705 -2.944592 12.34099 
1 1 1   10    7    0 o  138.762   1.5472 0.000000 0.000000 
1 1 1   10    7    1 o  395.465   2.0994 2.569733 4.198831 
1 1 1   10    7    2 o  161.283   1.1051 1.629929 2.210291 
1 1 1   10    7    3 o  363.986   1.9471 -4.158356 3.894175 
1 1 1   10    7    4 o   85.490   1.3385 1.820869 2.676916 
1 1 1   10    7    5 o   64.171   1.7884 -0.2202530 3.576777 
1 1 1   10    7    6 o  287.252   1.5978 -2.545807 3.195674 
1 1 1   10    7    7 f  304.248   1.6826 -2.875977 3.365239 
1 1 1   10    7    8 o  320.015   1.9079 -4.491394 3.815708 
1 1 1   10    7    9 o  239.958   1.5962 -1.879761 3.192430 
1 1 1   10    7   10 o  332.876   1.8488 1.311768 3.697579 
1 1 1   10    7   11 o  702.353   4.2692 -10.78973 8.538448 
1 1 1   10    7   12 o  251.569   1.6480 3.270279 3.296057 
1 1 1   10    7   13 o  515.949   2.8511 5.597351 5.702134 
1 1 1   10    7   14 o   70.999   3.3815 5.641304 6.763005 
1 1 1   10    7   15 o  733.816   3.9992 -0.9967041 7.998490 
1 1 1   10    7   16 o  257.410   1.9983 -2.266815 3.996653 
1 1 1   10    7   17 o  230.326   1.9256 1.568649 3.851229 
1 1 1   10    7   18 o  349.638   2.2871 -2.201721 4.574161 
1 1 1   10    7   19 o   64.148   7.6167 -58.72732 15.23348 
1 1 1   10    7   20 o  220.834   2.5886 -0.4721832 5.177227 
1 1 1   10    7   21 o  336.969   3.1201 64.79492 6.240133 
1 1 1   10    7   22 o  347.367   2.5860 -3.046814 5.172054 
1 1 1   10    7   23 o  312.630   3.2665 48.30600 6.532944 
1 1 1   10    7   24 o  146.023   3.8939 -4.554886 7.787844 
1 1 1   10    7   25 o  155.159   3.7468 -2.307724 7.493537 
1 1 1   10    7   26 o  209.189   3.0088 -5.233109 6.017566 
1 1 1   10    7   27 o  179.130   3.4118 -5.122726 6.823696 
1 1 1   10    7   28 o  177.616   3.3336 4.868042 6.667251 
1 1 1   10    7   29 o  268.782   2.6137 9.053528 5.227499 
1 1 1   10    7   30 o  150.531   3.6301 5.034409 7.260126 
1 1 1   10    7   31 o  160.568   3.5240 -2.426239 7.048082 
1 1 1   10    7   32 o   29.351   9.1398 -0.3526173 18.27964 
1 1 1   10    7   33 o  111.113   4.8331 7.761986 9.666122 
1 1 1   10    7   34 o   39.468   10.220 2.572807 20.43946 
1 1 1   10    7   35 o   96.722   5.8220 16.56700 11.64408 
1 1 1   10    7   36 o   49.014   10.060 7.116947 20.12051 
1 1 1   10    7   37 o   22.735   7.6689 -7.906248 15.33779 
1 1 1   10    8    0 o  128.701   1.5842 0.000000 0.000000 
1 1 1   10    8    1 o  123.085   1.1366 -0.8860931 2.273154 
1 1 1   10    8    2 o  449.666   2.3782 0.8119507 4.756409 
1 1 1   10    8    3 o  113.777   1.1601 -1.745949 2.320142 
1 1 1   10    8    4 o  176.087   1.1754 1.318192 2.350804 
1 1 1   10    8    5 o  375.750   2.0164 2.394409 4.032765 
1 1 1   10    8    6 o  455.475   2.6125 -0.3511963 5.224940 
1 1 1   10    8    7 o  362.648   2.4257 -0.2056274 4.851426 
1 1 1   10    8    8 o  184.814   1.2916 1.793686 2.583141 
1 1 1   10    8    9 o  382.488   2.2368 4.490875 4.473693 
1 1 1   10    8   10 o  495.560   3.0376 -2.566071 6.075274 
1 1 1   10    8   11 o  168.287   1.5661 3.594376 3.132270 
1 1 1   10    8   12 o  633.545   3.6170 -2.154724 7.233942 
1 1 1   10    8   13 o  244.738   1.7022 -1.322922 3.404355 
1 1 1   10    8   14 o   82.830   3.0941 7.403954 6.188218 
1 1 1   10    8   15 o  123.555   2.7911 14.21482 5.582185 
1 1 1   10    8   16 o  280.933   1.9244 4.068726 3.848863 
1 1 1   10    8   17 o  272.899   1.9477 -1.932281 3.895491 
1 1 1   10    8   18 o   25.507   7.6648 -2.494268 15.32959 
1 1 1   10    8   19 f  354.690   3.3064 17.62366 6.612726 
1 1 1   10    8   20 o  179.365   2.7070 7.746292 5.414032 
1 1 1   10    8   21 o  272.940   2.6414 8.875549 5.282737 
1 1 1   10    8   22 o  118.378   5.1030 2.550240 10.20597 
1 1 1   10    8   23 o  233.791   2.8254 1.806824 5.650734 
1 1 1   10    8   24 o  270.808   2.6245 -1.285004 5.248970 
1 1 1   10    8   25 o   98.077   5.9020 -3.307503 11.80399 
1 1 1   10    8   26 f  184.653   3.2417 0.9293518 6.483325 
1 1 1   10    8   27 f  196.612   3.0650 -1.231506 6.130027 
1 1 1   10    8   28 o  106.572   5.1813 7.778694 10.36251 
1 1 1   10    8   29 o   57.834   9.0098 14.03778 18.01963 
1 1 1   10    8   30 f   54.280   9.5710 -18.39397 19.14193 
1 1 1   10    8   31 o   89.808   5.9413 5.223602 11.88253 
1 1 1   10    8   32 o   80.682   6.4635 -0.9054108 12.92696 
1 1 1   10    8   33 o   95.480   5.5421 -3.327431 11.08427 
1 1 1   10    8   34 o   60.094   9.0221 15.06379 18.04419 
1 1 1   10    8   35 o   50.860   9.9673 5.785347 19.93467 
1 1 1   10    8   36 o   92.172   6.1084 4.843498 12.21683 
1 1 1   10    8   37 o   72.801   7.1273 -10.63496 14.25457 
1 1 1   10    9    0 o   71.282   2.3222 0.000000 0.000000 
1 1 1   10    9    1 o  128.017   1.2217 5.766312 2.443314 
1 1 1   10    9    2 o   58.224   1.9407 3.284374 3.881340 
1 1 1   10    9    3 o  269.106   1.5064 0.1402283 3.012768 
1 1 1   10    9    4 o  191.632   1.3094 -2.802399 2.618787 
1 1 1   10    9    5 o  228.768   1.7956 4.865219 3.591279 
1 1 1   10    9    6 o  226.799   1.3687 -1.532608 2.737463 
1 1 1   10    9    7 o  451.719   2.4076 -1.561218 4.815100 
1 1 1   10    9    8 f  251.286   1.4987 3.277664 2.997394 
1 1 1   10    9    9 o  141.266   1.3735 3.193268 2.746970 
1 1 1   10    9   10 o  596.009   5.0056 4.798218 10.01128 
1 1 1   10    9   11 o  283.873   1.7532 -7.705658 3.506474 
1 1 1   10    9   12 o   44.631   5.1405 -3.388893 10.28093 
1 1 1   10    9   13 o  334.510   2.0936 1.915466 4.187183 
1 1 1   10    9   14 o  349.117   2.0988 1.141724 4.197558 
1 1 1   10    9   15 o  469.525   2.6486 -0.7833862 5.297244 
1 1 1   10    9   16 o  341.280   2.1159 3.574738 4.231810 
1 1 1   10    9   17 o  173.661   2.1720 13.86931 4.343907 
1 1 1   10    9   18 o  638.963   4.0539 -3.244324 8.107872 
1 1 1   10    9   19 o  423.856   2.6654 1.736694 5.330846 
1 1 1   10    9   20 o  125.837   4.1416 -13.39411 8.283217 
1 1 1   10    9   21 o  403.277   2.5944 -7.269897 5.188885 
1 1 1   10    9   22 o  245.721   2.7956 0.5476074 5.591269 
1 1 1   10    9   23 o  341.354   2.5574 -3.216980 5.114721 
1 1 1   10    9   24 o  410.002   2.6834 -6.797089 5.366705 
1 1 1   10    9   25 o  201.493   3.0546 9.095230 6.109214 
1 1 1   10    9   26 o   72.093   8.1519 9.256104 16.30387 
1 1 1   10    9   27 o  207.305   2.9187 -5.278732 5.837328 
1 1 1   10    9   28 o   40.593   9.8521 8.932491 19.70416 
1 1 1   10    9   29 o   42.612   10.126 -5.864201 20.25111 
1 1 1   10    9   30 o  150.199   3.5736 -4.896378 7.147226 
1 1 1   10    9   31 o  123.728   4.2948 -5.540771 8.589682 
1 1 1   10    9   32 o   98.409   5.2081 -6.000923 10.41612 
1 1 1   10    9   33 o   29.360   9.1194 -6.328882 18.23877 
1 1 1   10    9   34 o   83.351   6.1279 -10.06956 12.25571 
1 1 1   10    9   35 o   57.922   9.3276 18.76856 18.65523 
1 1 1   10    9   36 o   35.589   9.9710 -12.26281 19.94194 
1 1 1   10    9   37 o   74.666   7.2179 -13.85615 14.43583 
1 1 1   10   10    0 o  326.176   3.0563 0.000000 0.000000 
1 1 1   10   10    1 o  325.549   2.0378 4.612854 4.075538 
1 1 1   10   10    2 o  253.448   1.5647 -2.582993 3.129412 
1 1 1   10   10    3 o  179.559   1.2928 3.034378 2.585669 
1 1 1   10   10    4 o  183.070   1.2159 1.480209 2.431815 
1 1 1   10   10    5 o  197.521   1.2765 0.7020264 2.553069 
1 1 1   10   10    6 o  235.636   1.4993 0.4795227 2.998631 
1 1 1   10   10    7 o  319.447   1.9052 0.7669067E-01 3.810355 
1 1 1   10   10    8 o  230.794   1.5875 -3.476379 3.174969 
1 1 1   10   10    9 o  582.668   3.7767 -4.942139 7.553470 
1 1 1   10   10   10 o  426.764   2.3876 1.964020 4.775196 
1 1 1   10   10   11 o   95.958   2.2771 4.574440 4.554219 
1 1 1   10   10   12 f  340.840   2.0164 4.474823 4.032835 
1 1 1   10   10   13 o  286.451   1.8445 0.3257141 3.689019 
1 1 1   10   10   14 o  284.988   1.8894 1.329926 3.778790 
1 1 1   10   10   15 o  140.701   2.4353 -7.032501 4.870607 
1 1 1   10   10   16 o  361.229   2.2117 1.234344 4.423426 
1 1 1   10   10   17 o  279.448   2.0420 1.734894 4.084068 
1 1 1   10   10   18 o   96.553   4.2931 -1.371140 8.586269 
1 1 1   10   10   19 o  307.750   2.4897 2.961365 4.979331 
1 1 1   10   10   20 o  342.534   2.5410 -6.690735 5.081937 
1 1 1   10   10   21 o  293.723   2.6595 -10.07843 5.319077 
1 1 1   10   10   22 o  256.911   2.7279 -3.684296 5.455842 
1 1 1   10   10   23 o  190.877   3.0204 1.624954 6.040892 
1 1 1   10   10   24 o   66.364   9.7068 19.22990 19.41354 
1 1 1   10   10   25 o   90.165   5.9782 -1.022133 11.95633 
1 1 1   10   10   26 o   99.729   5.6348 -0.2286301 11.26951 
1 1 1   10   10   27 o   33.077   9.5926 2.091148 19.18514 
1 1 1   10   10   28 o   39.061   9.7084 8.949703 19.41672 
1 1 1   10   10   29 o   81.578   6.2923 -0.6207275 12.58454 
1 1 1   10   10   30 o   94.398   5.4207 2.019028 10.84146 
1 1 1   10   10   31 o  141.492   3.8150 -5.701050 7.630049 
1 1 1   10   10   32 o   32.008   9.1694 -17.18542 18.33885 
1 1 1   10   10   33 o   49.102   8.8566 -32.67068 17.71323 
1 1 1   10   10   34 o   86.488   6.1330 -9.352448 12.26593 
1 1 1   10   10   35 o   68.397   7.9475 4.293449 15.89492 
1 1 1   10   10   36 o   90.048   7.1799 8.397026 14.35970 
1 1 1   10   10   37 o   21.255   7.3325 -8.726074 14.66502 
1 1 1   10   11    0 o  121.667   1.8289 0.000000 0.000000 
1 1 1   10   11    1 o  382.993   2.0520 -1.546570 4.103935 
1 1 1   10   11    2 o  554.143   2.9225 1.500244 5.844990 
1 1 1   10   11    3 o  186.071   1.2419 -3.345459 2.483895 
1 1 1   10   11    4 o  275.928   1.5620 3.224396 3.123930 
1 1 1   10   11    5 f  397.600   2.1414 1.289886 4.282797 
1 1 1   10   11    6 o  385.047   2.0862 -2.153900 4.172342 
1 1 1   10   11    7 o  187.645   1.4881 2.655640 2.976128 
1 1 1   10   11    8 o  345.838   2.0798 5.563354 4.159677 
1 1 1   10   11    9 o  104.167   1.9020 -0.8211899 3.804067 
1 1 1   10   11   10 o  409.864   2.3131 -1.102295 4.626278 
1 1 1   10   11   11 o  435.767   2.4522 5.200928 4.904490 
1 1 1   10   11   12 o  242.379   1.7246 4.061630 3.449213 
1 1 1   10   11   13 f  102.563   2.6076 2.182953 5.215133 
1 1 1   10   11   14 o  341.588   2.0916 0.5826721 4.183204 
1 1 1   10   11   15 o  376.743   2.2511 0.3395386 4.502140 
1 1 1   10   11   16 o   76.352   4.2691 3.223274 8.538155 
1 1 1   10   11   17 o  330.665   3.0092 -31.95984 6.018373 
1 1 1   10   11   18 f  150.655   2.8330 0.7157898E-01 5.665976 
1 1 1   10   11   19 o  371.625   3.0052 -3.121002 6.010461 
1 1 1   10   11   20 o   31.249   8.9989 -9.790644 17.99773 
1 1 1   10   11   21 o  347.441   2.5208 4.076080 5.041565 
1 1 1   10   11   22 o  189.476   3.1039 7.662521 6.207783 
1 1 1   10   11   23 o  106.144   4.9775 -12.19409 9.955036 
1 1 1   10   11   24 o  141.898   3.9210 2.287033 7.841941 
1 1 1   10   11   25 o  335.473   2.5257 6.517944 5.051306 
1 1 1   10   11   26 o   36.508   10.130 -4.706993 20.25986 
1 1 1   10   11   27 o  275.324   2.5238 -0.2599487 5.047688 
1 1 1   10   11   28 o  110.827   4.5842 -5.556732 9.168478 
1 1 1   10   11   29 o   46.904   10.188 -8.476471 20.37616 
1 1 1   10   11   30 o   86.695   5.8203 -22.83997 11.64051 
1 1 1   10   11   31 f   31.204   9.1808 -12.85153 18.36162 
1 1 1   10   11   32 o  105.646   4.7513 -6.207474 9.502575 
1 1 1   10   11   33 o   31.183   9.2973 -1.390709 18.59462 
1 1 1   10   11   34 o  137.777   3.8253 -1.791214 7.650606 
1 1 1   10   11   35 o   31.503   9.4547 -6.949135 18.90947 
1 1 1   10   11   36 o   35.783   9.3388 -22.32696 18.67750 
1 1 1   10   12    0 o   22.823   7.5634 0.000000 0.000000 
1 1 1   10   12    1 o   43.880   3.1539 -3.011482 6.307739 
1 1 1   10   12    2 o  239.460   1.4272 -2.185684 2.854397 
1 1 1   10   12    3 o  382.414   2.2262 -2.986267 4.452413 
1 1 1   10   12    4 o  141.432   1.2816 -1.516052 2.563125 
1 1 1   10   12    5 o   98.890   1.9218 -5.710678 3.843559 
1 1 1   10   12    6 f  332.175   2.1511 7.093811 4.302258 
1 1 1   10   12    7 o  433.230   3.0311 7.312683 6.062242 
1 1 1   10   12    8 o  142.438   1.9364 -1.240555 3.872756 
1 1 1   10   12    9 o   84.799   2.4534 6.140793 4.906792 
1 1 1   10   12   10 o  357.858   2.0821 2.377686 4.164286 
1 1 1   10   12   11 o  249.396   1.9478 5.376953 3.895608 
1 1 1   10   12   12 o  191.475   1.7533 3.073639 3.506559 
1 1 1   10   12   13 o  168.275   1.8969 2.082306 3.793707 
1 1 1   10   12   14 o  127.387   2.3955 1.739433 4.791088 
1 1 1   10   12   15 o  102.534   3.0859 -0.3120422E-02 6.171861 
1 1 1   10   12   16 o  310.465   2.2112 -3.075378 4.422414 
1 1 1   10   12   17 o  224.552   2.1458 2.445297 4.291679 
1 1 1   10   12   18 o  147.768   3.4934 15.15671 6.986749 
1 1 1   10   12   19 o  320.552   2.4494 -10.35220 4.898798 
1 1 1   10   12   20 o   49.986   8.9436 -26.77063 17.88713 
1 1 1   10   12   21 o  234.585   2.6516 -11.75610 5.303207 
1 1 1   10   12   22 o  214.578   2.7377 2.350052 5.475348 
1 1 1   10   12   23 o  304.387   2.6211 -0.9546509 5.242104 
1 1 1   10   12   24 o  167.589   3.4792 10.26250 6.958399 
1 1 1   10   12   25 o   53.864   9.5837 27.07671 19.16739 
1 1 1   10   12   26 o  180.570   3.0737 -6.607559 6.147459 
1 1 1   10   12   27 o  174.373   3.4599 -1.061584 6.919779 
1 1 1   10   12   28 o   30.915   9.1154 -10.46108 18.23088 
1 1 1   10   12   29 o  121.203   4.1626 10.59406 8.325221 
1 1 1   10   12   30 o  171.910   3.7329 7.900818 7.465839 
1 1 1   10   12   31 o   29.026   8.8064 3.734541 17.61287 
1 1 1   10   12   32 o   26.322   8.3927 2.399210 16.78550 
1 1 1   10   12   33 o   33.942   9.5758 1.887173 19.15166 
1 1 1   10   12   34 o   63.940   8.0403 4.807400 16.08056 
1 1 1   10   12   35 o   47.138   9.4179 20.89845 18.83589 
1 1 1   10   12   36 o   37.611   9.0366 15.40040 18.07322 
1 1 1   10   13    0 o  380.385   3.5513 0.000000 0.000000 
1 1 1   10   13    1 o  345.093   2.1725 7.146606 4.345089 
1 1 1   10   13    2 o  140.758   1.4428 2.437515 2.885511 
1 1 1   10   13    3 o  264.211   1.9376 0.2551270 3.875117 
1 1 1   10   13    4 o  371.133   2.4684 -4.893463 4.936773 
1 1 1   10   13    5 o  108.204   2.1223 3.481773 4.244665 
1 1 1   10   13    6 o  571.485   3.4947 -4.508118 6.989386 
1 1 1   10   13    7 o  350.260   2.2759 -3.912109 4.551707 
1 1 1   10   13    8 o  291.625   2.0309 2.312073 4.061804 
1 1 1   10   13    9 o  144.672   2.2994 -1.487976 4.598794 
1 1 1   10   13   10 o  176.739   2.0021 -5.279251 4.004297 
1 1 1   10   13   11 o  345.058   2.1515 -1.989014 4.302932 
1 1 1   10   13   12 o  272.429   1.8341 -3.771484 3.668155 
1 1 1   10   13   13 f  291.609   1.9263 4.044891 3.852565 
1 1 1   10   13   14 o  359.452   2.1973 5.996338 4.394549 
1 1 1   10   13   15 o  133.015   3.5424      ?      ? 
1 1 1   10   13   16 o  248.305   2.1289 1.362976 4.257747 
1 1 1   10   13   17 o  380.549   2.3916 -3.162323 4.783159 
1 1 1   10   13   18 o  234.586   2.7235 3.366180 5.446986 
1 1 1   10   13   19 o  205.984   2.4722 -0.9530029 4.944363 
1 1 1   10   13   20 o  254.837   3.3389 -20.02620 6.677783 
1 1 1   10   13   21 o  240.047   2.5581 -3.693283 5.116120 
1 1 1   10   13   22 o  182.606   3.0771 6.228561 6.154161 
1 1 1   10   13   23 o  183.956   3.1062 4.454468 6.212339 
1 1 1   10   13   24 o  183.640   3.0848 7.511459 6.169692 
1 1 1   10   13   25 o  136.621   4.2979 -4.361893 8.595861 
1 1 1   10   13   26 o   85.263   6.0582 21.72324 12.11647 
1 1 1   10   13   27 o  136.633   3.6927 -4.928833 7.385366 
1 1 1   10   13   28 o  169.350   2.9003 -9.128235 5.800613 
1 1 1   10   13   29 o   53.142   9.1394 -17.97724 18.27888 
1 1 1   10   13   30 o   76.543   6.4297 -7.006348 12.85940 
1 1 1   10   13   31 o   35.184   9.5640 -3.452473 19.12796 
1 1 1   10   13   32 o  134.714   3.7824 9.113571 7.564806 
1 1 1   10   13   33 o  147.176   3.5029 1.341614 7.005878 
1 1 1   10   13   34 o   55.267   9.4407 3.207539 18.88137 
1 1 1   10   13   35 o   36.590   9.7786 -9.320473 19.55714 
1 1 1   10   13   36 o   61.551   8.9104 3.627651 17.82089 
1 1 1   10   14    0 o   90.149   2.8415 0.000000 0.000000 
1 1 1   10   14    1 o  475.095   2.7379 -3.207520 5.475807 
1 1 1   10   14    2 o  180.319   1.3878 -5.577881 2.775510 
1 1 1   10   14    3 o  381.290   2.0778 -2.938080 4.155684 
1 1 1   10   14    4 o  350.954   2.1004 4.765747 4.200768 
1 1 1   10   14    5 o  185.979   1.7785 2.908890 3.556970 
1 1 1   10   14    6 o  392.915   2.7853 4.175659 5.570559 
1 1 1   10   14    7 o  515.789   3.1882 -1.738708 6.376416 
1 1 1   10   14    8 o  559.096   3.4403 2.112061 6.880572 
1 1 1   10   14    9 o   98.888   3.0253 -13.73129 6.050546 
1 1 1   10   14   10 o  396.030   2.5657 3.106567 5.131373 
1 1 1   10   14   11 o  288.268   2.1661 -0.3240967 4.332297 
1 1 1   10   14   12 o   65.495   3.8306 7.169807 7.661116 
1 1 1   10   14   13 o  166.391   2.0150 -4.569611 4.029964 
1 1 1   10   14   14 x  ?   ?       ?      ? 
1 1 1   10   14   15 o  415.839   2.5831 2.924377 5.166300 
1 1 1   10   14   16 o  245.980   2.1591 5.189346 4.318244 
1 1 1   10   14   17 o  272.795   4.1368      ?      ? 
1 1 1   10   14   18 o  377.405   2.3494 3.229156 4.698807 
1 1 1   10   14   19 o  229.119   2.8688 -18.12221 5.737566 
1 1 1   10   14   20 o  318.452   2.4841 -3.010956 4.968277 
1 1 1   10   14   21 o  226.176   2.5938 1.846680 5.187533 
1 1 1   10   14   22 f  376.413   2.5564 -1.834473 5.112713 
1 1 1   10   14   23 o   79.452   7.2643 2.457458 14.52857 
1 1 1   10   14   24 o   80.225   6.5494 -3.699745 13.09881 
1 1 1   10   14   25 o   65.115   8.0724 -21.61278 16.14487 
1 1 1   10   14   26 o  122.952   4.0297 14.57991 8.059410 
1 1 1   10   14   27 o   40.508   9.0941 17.63020 18.18810 
1 1 1   10   14   28 f   36.905   9.5213 5.241791 19.04268 
1 1 1   10   14   29 o  118.331   4.7053 8.518951 9.410522 
1 1 1   10   14   30 o  101.981   4.7316 -8.269630 9.463251 
1 1 1   10   14   31 o   76.191   6.3912 10.84212 12.78239 
1 1 1   10   14   32 o   88.998   5.4146 -2.786942 10.82911 
1 1 1   10   14   33 o   47.884   9.2140 -27.67422 18.42792 
1 1 1   10   14   34 o   43.049   10.010 7.434105 20.01921 
1 1 1   10   14   35 o   32.417   9.6884 -4.573563 19.37676 
1 1 1   10   15    0 o  141.048   2.9169 0.000000 0.000000 
1 1 1   10   15    1 o  236.662   1.5107 4.236191 3.021313 
1 1 1   10   15    2 o  275.021   1.7593 -6.454590 3.518682 
1 1 1   10   15    3 o  429.084   2.3226 -3.341553 4.645223 
1 1 1   10   15    4 o  348.198   1.9551 -0.1856079 3.910140 
1 1 1   10   15    5 o  462.281   2.8842 -4.597198 5.768313 
1 1 1   10   15    6 o  183.738   1.9616 -7.262039 3.923147 
1 1 1   10   15    7 o  722.622   4.4030 -7.212952 8.805921 
1 1 1   10   15    8 f  446.975   3.1401 -3.592438 6.280248 
1 1 1   10   15    9 o  124.089   2.6397 -6.767319 5.279458 
1 1 1   10   15   10 o  339.604   2.5963 -9.281738 5.192618 
1 1 1   10   15   11 o   55.905   6.2931 -19.72248 12.58619 
1 1 1   10   15   12 o  286.187   2.2410 2.208008 4.481934 
1 1 1   10   15   13 o  206.339   2.1881 4.519623 4.376266 
1 1 1   10   15   14 o  136.928   2.9279 -13.17493 5.855836 
1 1 1   10   15   15 o  219.880   2.3046 2.465897 4.609213 
1 1 1   10   15   16 o  214.061   3.4054      ?      ? 
1 1 1   10   15   17 o   80.636   5.8314 -12.74469 11.66284 
1 1 1   10   15   18 o  323.955   2.2955 -5.577576 4.590924 
1 1 1   10   15   19 o  251.210   2.3680 -4.609512 4.736016 
1 1 1   10   15   20 o  130.820   3.5987 -6.091019 7.197325 
1 1 1   10   15   21 o  195.646   3.2069 -3.135056 6.413889 
1 1 1   10   15   22 o  318.930   2.4683 -1.733643 4.936610 
1 1 1   10   15   23 o   93.253   5.3185 3.094208 10.63709 
1 1 1   10   15   24 o   26.599   8.4788 1.671947 16.95769 
1 1 1   10   15   25 o  106.880   4.6072 -4.271301 9.214398 
1 1 1   10   15   26 o   92.859   5.1148 -0.2921295E-01 10.22959 
1 1 1   10   15   27 o   49.652   8.9603 -34.07346 17.92052 
1 1 1   10   15   28 x  ?   ?       ?      ? 
1 1 1   10   15   29 o   73.934   7.3092 -2.559471 14.61835 
1 1 1   10   15   30 o   30.702   9.0999 -6.079222 18.19974 
1 1 1   10   15   31 o   96.535   4.9815 10.00581 9.962957 
1 1 1   10   15   32 o   76.150   6.6495 13.05950 13.29909 
1 1 1   10   15   33 o  123.982   4.2922 -0.8716507 8.584366 
1 1 1   10   15   34 o   68.833   8.1810 11.19314 16.36199 
1 1 1   10   15   35 o   34.135   9.6431 6.733154 19.28610 
1 1 1   10   16    0 o   73.532   4.7174 0.000000 0.000000 
1 1 1   10   16    1 o  342.122   1.9384 -1.426086 3.876757 
1 1 1   10   16    2 o   92.483   2.8193 -12.82666 5.638562 
1 1 1   10   16    3 o   29.041   5.5579 -29.80588 11.11576 
1 1 1   10   16    4 o  483.650   2.8244 -6.257507 5.648734 
1 1 1   10   16    5 o  145.103   2.2955 5.199982 4.590970 
1 1 1   10   16    6 o  705.726   4.3040 2.342224 8.607979 
1 1 1   10   16    7 o  250.803   2.0489 3.029510 4.097837 
1 1 1   10   16    8 o  326.029   2.2783 0.8182678 4.556666 
1 1 1   10   16    9 o  356.507   2.4160 1.355347 4.832017 
1 1 1   10   16   10 o   31.495   8.0773 -18.21915 16.15458 
1 1 1   10   16   11 o  252.637   2.2509 0.6599426 4.501770 
1 1 1   10   16   12 o  273.545   2.8885 10.48715 5.776905 
1 1 1   10   16   13 o  119.576   4.5544 15.59953 9.108740 
1 1 1   10   16   14 o  300.046   2.4749 2.119019 4.949785 
1 1 1   10   16   15 o  216.364   3.3407      ?      ? 
1 1 1   10   16   16 o  294.163   2.3091 5.411957 4.618108 
1 1 1   10   16   17 o  219.822   2.3554 -3.623657 4.710783 
1 1 1   10   16   18 o  320.097   2.3019 -0.3266602 4.603770 
1 1 1   10   16   19 f  221.486   2.7938 -4.166336 5.587581 
1 1 1   10   16   20 o  192.945   2.6017 2.449371 5.203400 
1 1 1   10   16   21 o  110.655   4.3658 -6.454514 8.731634 
1 1 1   10   16   22 o  242.008   2.5191 4.976059 5.038290 
1 1 1   10   16   23 o  135.371   3.7101 -2.398926 7.420128 
1 1 1   10   16   24 o  122.468   3.9466 -1.411568 7.893124 
1 1 1   10   16   25 o  226.548   2.9179 7.157639 5.835793 
1 1 1   10   16   26 o   48.165   9.0550 -7.317318 18.10998 
1 1 1   10   16   27 o   66.095   7.1193 -0.1393661 14.23861 
1 1 1   10   16   28 o   22.441   7.6110 -5.770998 15.22200 
1 1 1   10   16   29 o   52.508   8.5512 -31.10504 17.10243 
1 1 1   10   16   30 o   49.091   8.7633 17.05278 17.52653 
1 1 1   10   16   31 o   26.476   8.4165 0.7065525 16.83310 
1 1 1   10   16   32 o   30.441   9.1671 1.684849 18.33420 
1 1 1   10   16   33 o   52.754   9.3185 -23.83799 18.63709 
1 1 1   10   16   34 o   35.546   9.6938 -5.138302 19.38759 
1 1 1   10   17    0 o  720.248   5.3808 0.000000 0.000000 
1 1 1   10   17    1 f  317.987   2.4486 20.59378 4.897188 
1 1 1   10   17    2 o  333.148   2.1187 4.328766 4.237434 
1 1 1   10   17    3 o  280.558   2.4603 -3.790253 4.920517 
1 1 1   10   17    4 o  101.817   2.7755 -10.15913 5.550965 
1 1 1   10   17    5 o  222.548   2.0722 -1.322250 4.144366 
1 1 1   10   17    6 f  382.744   2.7953 3.466858 5.590647 
1 1 1   10   17    7 f   75.785   4.4037 -17.58851 8.807434 
1 1 1   10   17    8 o   98.212   4.1531 -16.54175 8.306224 
1 1 1   10   17    9 x  ?   ?       ?      ? 
1 1 1   10   17   10 o  645.363   3.9847 3.754028 7.969494 
1 1 1   10   17   11 o  490.521   3.8525 16.40396 7.705010 
1 1 1   10   17   12 o  290.137   2.4008 -1.788605 4.801600 
1 1 1   10   17   13 o  239.528   2.8709 -6.087921 5.741738 
1 1 1   10   17   14 o  120.522   3.5019 -15.44637 7.003827 
1 1 1   10   17   15 o  244.573   2.1429 -0.3972626 4.285738 
1 1 1   10   17   16 o  290.757   2.3786 -0.4950256 4.757133 
1 1 1   10   17   17 o  142.430   3.9133 -18.49692 7.826694 
1 1 1   10   17   18 o  133.177   3.7016 -14.54186 7.403234 
1 1 1   10   17   19 o  366.276   2.5159 -1.333923 5.031848 
1 1 1   10   17   20 o  133.538   3.3591 -0.2923584E-01 6.718297 
1 1 1   10   17   21 o  100.046   4.6515 -15.21887 9.303088 
1 1 1   10   17   22 o  148.878   3.3057 -0.6615448 6.611476 
1 1 1   10   17   23 o  313.561   2.7340 13.68109 5.468043 
1 1 1   10   17   24 o  145.119   3.1532 -2.206131 6.306462 
1 1 1   10   17   25 o   53.502   8.3636 19.99081 16.72714 
1 1 1   10   17   26 o   86.573   5.1862 11.90295 10.37242 
1 1 1   10   17   27 o  127.006   3.9101 4.432968 7.820243 
1 1 1   10   17   28 o   26.834   8.4613 -8.239645 16.92256 
1 1 1   10   17   29 o   58.829   8.2361 13.88217 16.47214 
1 1 1   10   17   30 o   44.285   8.9284 22.01036 17.85677 
1 1 1   10   17   31 o   22.939   7.6966 -0.7187119 15.39329 
1 1 1   10   17   32 o   70.528   7.2119 -11.33163 14.42370 
1 1 1   10   17   33 o   48.199   9.6605 2.300945 19.32092 
1 1 1   10   17   34 o   82.646   5.5226 -8.330299 11.04512 
1 1 1   10   18    0 o  128.443   3.2210 0.000000 0.000000 
1 1 1   10   18    1 o  353.286   2.0495 -4.583282 4.099052 
1 1 1   10   18    2 o  220.297   1.8706 -2.898438 3.741164 
1 1 1   10   18    3 o  381.223   2.2340 -3.629639 4.468061 
1 1 1   10   18    4 o  304.434   1.9375 -4.344879 3.874930 
1 1 1   10   18    5 o  430.262   2.7680 -0.6593628 5.535964 
1 1 1   10   18    6 o  178.715   2.3262 -1.060104 4.652412 
1 1 1   10   18    7 o  184.206   2.3469 7.547791 4.693793 
1 1 1   10   18    8 o  198.294   4.6767      ?      ? 
1 1 1   10   18    9 o  550.750   4.2361 -20.54480 8.472144 
1 1 1   10   18   10 o  276.469   2.3519 2.483704 4.703890 
1 1 1   10   18   11 o  184.217   2.7259 -1.291855 5.451894 
1 1 1   10   18   12 o  118.542   5.3278 -46.46528 10.65567 
1 1 1   10   18   13 o  355.419   2.6373 0.7374268 5.274576 
1 1 1   10   18   14 o  253.730   2.5485 4.891388 5.097004 
1 1 1   10   18   15 o   85.831   9.9789 -35.33919 19.95771 
1 1 1   10   18   16 o  114.129   3.5930 2.379578 7.186084 
1 1 1   10   18   17 o   79.124   5.0192 12.15492 10.03831 
1 1 1   10   18   18 o  153.472   3.2139 10.39166 6.427816 
1 1 1   10   18   19 o  140.927   3.2028 -1.329773 6.405668 
1 1 1   10   18   20 o   69.216   6.1922 9.739693 12.38446 
1 1 1   10   18   21 o  132.529   3.9272 -5.172379 7.854437 
1 1 1   10   18   22 o  121.403   3.7747 -2.189629 7.549352 
1 1 1   10   18   23 o   77.790   5.5545 4.269341 11.10902 
1 1 1   10   18   24 o  108.618   3.9280 -5.509605 7.855916 
1 1 1   10   18   25 o   82.080   5.2912 -3.901169 10.58246 
1 1 1   10   18   26 o  229.322   2.5228 -5.159195 5.045541 
1 1 1   10   18   27 x  ?   ?       ?      ? 
1 1 1   10   18   28 o   82.420   5.5455 -4.079460 11.09103 
1 1 1   10   18   29 o   48.761   9.1905 -5.940578 18.38103 
1 1 1   10   18   30 o   50.921   8.9139 -3.119701 17.82784 
1 1 1   10   18   31 o   32.462   9.4249 0.9516678 18.84978 
1 1 1   10   18   32 o   34.609   9.4131 10.17743 18.82623 
1 1 1   10   18   33 o   53.357   8.6246 -7.817707 17.24929 
1 1 1   10   19    0 o  506.354   4.7951 0.000000 0.000000 
1 1 1   10   19    1 o  530.274   2.8648 1.884460 5.729679 
1 1 1   10   19    2 o  181.490   2.1044 -8.843689 4.208850 
1 1 1   10   19    3 o  247.302   1.8952 1.184357 3.790365 
1 1 1   10   19    4 o  276.174   1.9502 -4.277679 3.900304 
1 1 1   10   19    5 x  ?   ?       ?      ? 
1 1 1   10   19    6 o  310.052   2.8789 -18.88486 5.757894 
1 1 1   10   19    7 x  ?   ?       ?      ? 
1 1 1   10   19    8 o  433.062   2.8633 1.887360 5.726623 
1 1 1   10   19    9 o   58.953   7.7619 -20.01798 15.52388 
1 1 1   10   19   10 o  250.494   2.6760 -0.5676270 5.351963 
1 1 1   10   19   11 o  241.184   2.8011 7.386917 5.602286 
1 1 1   10   19   12 o  223.451   2.5652 3.031494 5.130404 
1 1 1   10   19   13 o  248.457   4.2923      ?      ? 
1 1 1   10   19   14 o  461.350   3.5236 -4.794922 7.047106 
1 1 1   10   19   15 o  266.649   2.6003 0.1225281 5.200623 
1 1 1   10   19   16 o  236.327   2.1705 3.339966 4.341063 
1 1 1   10   19   17 f  126.389   3.6351 -13.34863 7.270200 
1 1 1   10   19   18 o  183.347   2.4799 4.003860 4.959836 
1 1 1   10   19   19 o  199.855   2.5860 5.835037 5.171955 
1 1 1   10   19   20 o  162.965   2.7806 -8.367218 5.561230 
1 1 1   10   19   21 o   27.878   8.4628 3.115034 16.92560 
1 1 1   10   19   22 o   31.086   8.7459 5.056190 17.49181 
1 1 1   10   19   23 o   95.309   4.4638 5.068581 8.927526 
1 1 1   10   19   24 o   98.125   4.3454 5.378014 8.690742 
1 1 1   10   19   25 o   62.925   6.9170 -0.4702797 13.83405 
1 1 1   10   19   26 o   30.613   8.9016 1.474216 17.80324 
1 1 1   10   19   27 o   31.771   8.7841 -12.36242 17.56828 
1 1 1   10   19   28 o   31.184   9.5199 -11.86726 19.03983 
1 1 1   10   19   29 o  116.449   4.0470 -2.181541 8.093989 
1 1 1   10   19   30 o  101.712   4.8160 -1.305428 9.632087 
1 1 1   10   19   31 o   71.884   6.8753 -3.178818 13.75066 
1 1 1   10   19   32 o   32.947   9.0006 -16.23332 18.00118 
1 1 1   10   19   33 o   73.391   6.1903 -8.118034 12.38054 
1 1 1   10   20    0 x  ?   ?       ?      ? 
1 1 1   10   20    1 o  355.780   2.9788 -3.710236 5.957633 
1 1 1   10   20    2 o  341.185   4.3888      ?      ? 
1 1 1   10   20    3 o  455.495   2.7416 1.232666 5.483103 
1 1 1   10   20    4 o  166.776   2.7685 -7.014420 5.537055 
1 1 1   10   20    5 o  276.441   2.3915 -7.022705 4.783008 
1 1 1   10   20    6 o  317.124   2.4752 2.911957 4.950422 
1 1 1   10   20    7 o  212.396   2.5975 3.745834 5.194938 
1 1 1   10   20    8 o  111.468   4.8111 -14.96295 9.622294 
1 1 1   10   20    9 o  307.959   2.4993 9.457336 4.998508 
1 1 1   10   20   10 o  337.319   2.5709 3.606873 5.141706 
1 1 1   10   20   11 o  310.459   3.5721      ?      ? 
1 1 1   10   20   12 o  131.151   3.8119 -2.999374 7.623711 
1 1 1   10   20   13 o  299.187   2.6225 -2.908539 5.244960 
1 1 1   10   20   14 o  376.576   2.7550 -5.476410 5.509956 
1 1 1   10   20   15 o  204.270   2.8524 1.177536 5.704796 
1 1 1   10   20   16 o   88.232   4.2350 -4.914902 8.469975 
1 1 1   10   20   17 o   65.843   6.1150 -5.166733 12.23008 
1 1 1   10   20   18 o   21.463   7.0869 -0.5619354 14.17379 
1 1 1   10   20   19 o  185.156   2.5049 -1.470032 5.009797 
1 1 1   10   20   20 o  105.134   4.0694 -7.020119 8.138788 
1 1 1   10   20   21 o   24.569   7.7807 -3.081026 15.56149 
1 1 1   10   20   22 o   44.628   8.4715 14.28663 16.94300 
1 1 1   10   20   23 o   21.713   7.2028 -0.3177185 14.40561 
1 1 1   10   20   24 o   28.465   8.4262 -6.903399 16.85249 
1 1 1   10   20   25 o   86.780   6.5509 -0.1666565 13.10175 
1 1 1   10   20   26 o  176.641   2.7583 0.3597107 5.516606 
1 1 1   10   20   27 o   31.748   8.8350 5.806856 17.67003 
1 1 1   10   20   28 o  130.788   3.5182 -0.8237305 7.036481 
1 1 1   10   20   29 o   34.600   8.9903 11.65787 17.98066 
1 1 1   10   20   30 o   87.238   5.5504 -22.32314 11.10074 
1 1 1   10   20   31 o   44.876   9.5342 -6.538616 19.06837 
1 1 1   10   20   32 o   32.882   9.1361 -6.263430 18.27222 
1 1 1   10   21    0 o  364.820   3.6297 0.000000 0.000000 
1 1 1   10   21    1 o  269.837   2.1045 -6.005341 4.209044 
1 1 1   10   21    2 o  161.572   2.9430 -10.38992 5.885956 
1 1 1   10   21    3 o  267.175   2.1259 -5.595520 4.251788 
1 1 1   10   21    4 o  208.374   2.2736 3.399185 4.547288 
1 1 1   10   21    5 o  213.685   3.0271 47.94521 6.054227 
1 1 1   10   21    6 o  127.880   4.0729 7.212540 8.145875 
1 1 1   10   21    7 o  154.014   3.2405 -11.44502 6.481091 
1 1 1   10   21    8 f  218.886   2.7093 3.282837 5.418609 
1 1 1   10   21    9 o  158.320   3.2148 -4.735687 6.429612 
1 1 1   10   21   10 o  249.778   2.7386 0.4462280 5.477250 
1 1 1   10   21   11 o  186.151   2.9557 -3.717453 5.911308 
1 1 1   10   21   12 o  156.658   3.2501 3.575882 6.500183 
1 1 1   10   21   13 o  340.835   2.6425 3.179718 5.285059 
1 1 1   10   21   14 o   36.729   9.6661 8.906147 19.33216 
1 1 1   10   21   15 o  361.095   3.8823 -3.962341 7.764575 
1 1 1   10   21   16 o  246.059   2.6650 2.368149 5.330047 
1 1 1   10   21   17 o  202.396   2.2833 6.946259 4.566542 
1 1 1   10   21   18 o   23.398   7.3540 -3.870056 14.70807 
1 1 1   10   21   19 o  217.348   2.2357 -1.149490 4.471332 
1 1 1   10   21   20 o   30.905   8.2351 13.90221 16.47029 
1 1 1   10   21   21 o   99.081   3.9706 -0.5983658 7.941202 
1 1 1   10   21   22 o   24.148   7.6559 -1.601807 15.31188 
1 1 1   10   21   23 o  127.493   3.2511 -4.978447 6.502263 
1 1 1   10   21   24 o  163.878   3.4114 -40.06432 6.822776 
1 1 1   10   21   25 o  167.196   2.7105 -3.632629 5.420940 
1 1 1   10   21   26 o   55.605   7.9431 15.87418 15.88617 
1 1 1   10   21   27 o   58.016   8.4422 20.18184 16.88443 
1 1 1   10   21   28 o   26.334   8.2510 -6.297085 16.50197 
1 1 1   10   21   29 o  106.033   4.6022 -2.825829 9.204465 
1 1 1   10   21   30 o  114.986   4.3131 11.28787 8.626169 
1 1 1   10   21   31 o   29.986   8.6924 -10.12517 17.38473 
1 1 1   10   22    0 o  272.265   3.2900 0.000000 0.000000 
1 1 1   10   22    1 o  321.706   2.1024 -1.194672 4.204714 
1 1 1   10   22    2 o   69.727   6.2969 -54.16528 12.59382 
1 1 1   10   22    3 o  389.406   2.4084 -3.041443 4.816778 
1 1 1   10   22    4 o  236.622   2.1314 1.957748 4.262746 
1 1 1   10   22    5 o  262.955   2.1219 -5.722717 4.243788 
1 1 1   10   22    6 o  482.860   3.1657 -6.159882 6.331383 
1 1 1   10   22    7 o  293.609   2.5504 -2.241882 5.100852 
1 1 1   10   22    8 o  193.495   5.5558      ?      ? 
1 1 1   10   22    9 o  315.500   2.5646 -1.558960 5.129196 
1 1 1   10   22   10 o  165.577   3.0712 -6.742996 6.142361 
1 1 1   10   22   11 o   92.014   5.1406 8.079514 10.28118 
1 1 1   10   22   12 o  272.826   2.6228 0.8856812 5.245670 
1 1 1   10   22   13 o  124.619   5.0314 0.7382355 10.06284 
1 1 1   10   22   14 o  166.182   3.2227 -1.254333 6.445326 
1 1 1   10   22   15 o  246.866   2.6673 2.885773 5.334572 
1 1 1   10   22   16 o  136.514   3.8273 -6.350983 7.654524 
1 1 1   10   22   17 f   85.569   4.2419 -5.236519 8.483871 
1 1 1   10   22   18 o  103.140   3.4727 8.882790 6.945394 
1 1 1   10   22   19 o   65.419   5.2451 5.477825 10.49011 
1 1 1   10   22   20 o   96.453   3.6969 7.290695 7.393900 
1 1 1   10   22   21 o  114.331   3.2589 -5.247307 6.517758 
1 1 1   10   22   22 o  125.698   3.7721 -10.73621 7.544186 
1 1 1   10   22   23 o  229.061   5.3565      ?      ? 
1 1 1   10   22   24 o   90.555   4.6591 3.055542 9.318205 
1 1 1   10   22   25 o  108.772   3.9272 4.151901 7.854343 
1 1 1   10   22   26 f   40.288   8.2951 19.65951 16.59022 
1 1 1   10   22   27 o   27.215   8.3057 1.332705 16.61145 
1 1 1   10   22   28 o   29.392   8.6888 -1.841282 17.37767 
1 1 1   10   22   29 o  107.584   5.4666 6.346863 10.93313 
1 1 1   10   22   30 o   42.655   8.3341 21.95477 16.66824 
1 1 1   10   22   31 o   25.988   8.2856 -17.48050 16.57129 
1 1 1   10   23    0 o   17.738   9.0186 0.000000 0.000000 
1 1 1   10   23    1 o   55.473   7.0805 13.44654 14.16105 
1 1 1   10   23    2 o  274.754   2.4376 1.871887 4.875201 
1 1 1   10   23    3 o   91.273   5.2276 -24.95725 10.45529 
1 1 1   10   23    4 o  247.544   2.9189 46.41403 5.837779 
1 1 1   10   23    5 o  216.121   2.9053 -30.34613 5.810572 
1 1 1   10   23    6 o   96.130   5.1522 -5.720177 10.30447 
1 1 1   10   23    7 o  192.183   3.0329 -0.7328644 6.065851 
1 1 1   10   23    8 o  122.671   4.0170 3.773735 8.033977 
1 1 1   10   23    9 o  145.984   3.4366 -2.081924 6.873257 
1 1 1   10   23   10 o  238.280   2.6118 -2.502563 5.223515 
1 1 1   10   23   11 f  149.264   4.4881 -0.5046997 8.976193 
1 1 1   10   23   12 o  219.614   2.7142 1.072037 5.428311 
1 1 1   10   23   13 o   91.061   5.3048 4.037498 10.60961 
1 1 1   10   23   14 o  193.600   2.9406 -7.890488 5.881206 
1 1 1   10   23   15 o   74.657   6.6883 15.00716 13.37661 
1 1 1   10   23   16 o  128.095   3.8551 0.9243851 7.710262 
1 1 1   10   23   17 o  131.752   3.6306 -13.47186 7.261234 
1 1 1   10   23   18 o  127.788   3.0796 3.895836 6.159223 
1 1 1   10   23   19 o   53.028   6.9694 -29.53623 13.93886 
1 1 1   10   23   20 o   37.672   8.0271 -10.82603 16.05419 
1 1 1   10   23   21 o  182.465   2.3284 -1.112595 4.656886 
1 1 1   10   23   22 o  155.652   3.6491 23.84485 7.298270 
1 1 1   10   23   23 o  111.047   3.6285 4.268158 7.257054 
1 1 1   10   23   24 o   21.443   7.1330 -4.987158 14.26594 
1 1 1   10   23   25 o   78.558   5.2834 -4.093338 10.56675 
1 1 1   10   23   26 o   43.970   9.3296 4.588432 18.65915 
1 1 1   10   23   27 o   44.317   9.1702 -8.437141 18.34038 
1 1 1   10   23   28 o   25.541   8.1035 -2.077986 16.20697 
1 1 1   10   23   29 o   54.585   8.2330 1.218914 16.46597 
1 1 1   10   23   30 o   30.418   9.0362 1.941370 18.07231 
1 1 1   10   24    0 o  217.335   3.3351 0.000000 0.000000 
1 1 1   10   24    1 o   96.147   3.8929 -3.022667 7.785861 
1 1 1   10   24    2 o  106.730   3.8300 7.873474 7.660008 
1 1 1   10   24    3 o  287.051   2.2006 0.6519165 4.401129 
1 1 1   10   24    4 o  182.810   2.2992 -10.07489 4.598454 
1 1 1   10   24    5 o   33.869   8.3386 -21.27271 16.67719 
1 1 1   10   24    6 o  100.205   3.9157 2.782242 7.831339 
1 1 1   10   24    7 o  124.202   3.8989 17.78564 7.797792 
1 1 1   10   24    8 o  105.770   4.5236 0.8947754 9.047175 
1 1 1   10   24    9 o   70.828   6.8788 10.30002 13.75762 
1 1 1   10   24   10 o   73.648   6.5299 0.4334869 13.05974 
1 1 1   10   24   11 o   97.054   4.8341 -0.7397156 9.668182 
1 1 1   10   24   12 o   48.277   9.2834 7.174427 18.56673 
1 1 1   10   24   13 o  134.131   3.7592 -4.291687 7.518358 
1 1 1   10   24   14 o   35.078   9.4642 -6.811068 18.92834 
1 1 1   10   24   15 f   27.803   8.5859 3.672400 17.17174 
1 1 1   10   24   16 o   23.236   7.5672 -11.07293 15.13433 
1 1 1   10   24   17 o   96.722   4.7524 15.11610 9.504841 
1 1 1   10   24   18 o  106.628   3.1017 -8.129242 6.203486 
1 1 1   10   24   19 o  134.235   2.6742 -2.115585 5.348382 
1 1 1   10   24   20 o  131.033   2.8262 -3.133484 5.652349 
1 1 1   10   24   21 o  162.091   2.7821 0.9761810 5.564207 
1 1 1   10   24   22 o   72.186   5.5357 -24.00363 11.07137 
1 1 1   10   24   23 o   55.462   7.1513 1.636959 14.30252 
1 1 1   10   24   24 o  130.353   3.2640 -7.822151 6.527970 
1 1 1   10   24   25 o   78.548   5.3045 -3.202858 10.60903 
1 1 1   10   24   26 o   59.490   7.0728 1.985023 14.14560 
1 1 1   10   24   27 o   57.434   7.3788 -21.45942 14.75760 
1 1 1   10   24   28 o  121.495   4.5721 -17.53952 9.144287 
1 1 1   10   24   29 o   43.557   8.2901 19.01254 16.58012 
1 1 1   10   25    0 o  168.492   4.0183 0.000000 0.000000 
1 1 1   10   25    1 o  164.502   2.5812 -1.622238 5.162435 
1 1 1   10   25    2 o   92.658   4.6896 13.80093 9.379265 
1 1 1   10   25    3 o  196.572   2.3090 13.16690 4.617985 
1 1 1   10   25    4 o  167.021   2.5730 -13.26601 5.146023 
1 1 1   10   25    5 o  282.613   2.1962 5.823883 4.392444 
1 1 1   10   25    6 o  290.434   2.3899 -3.892639 4.779764 
1 1 1   10   25    7 o  214.766   2.7173 1.695511 5.434535 
1 1 1   10   25    8 o  143.394   3.5066 1.847794 7.013299 
1 1 1   10   25    9 o  160.697   3.2534 -4.236313 6.506835 
1 1 1   10   25   10 o  298.377   2.6020 1.448486 5.203984 
1 1 1   10   25   11 o  152.566   3.3530 12.03476 6.706066 
1 1 1   10   25   12 o   34.897   9.2782 11.92328 18.55630 
1 1 1   10   25   13 o  116.143   4.1783 1.211632 8.356508 
1 1 1   10   25   14 o   97.449   4.5719 -2.541344 9.143764 
1 1 1   10   25   15 o   98.431   4.5779 -17.22701 9.155813 
1 1 1   10   25   16 o   73.748   5.8365 -1.479767 11.67292 
1 1 1   10   25   17 o   91.766   4.9719 -0.6031952 9.943869 
1 1 1   10   25   18 o  173.237   2.4350 -4.431808 4.869960 
1 1 1   10   25   19 x  ?   ?       ?      ? 
1 1 1   10   25   20 o   24.706   7.2957 -8.931633 14.59136 
1 1 1   10   25   21 f   24.799   7.5870 9.582102 15.17404 
1 1 1   10   25   22 o   43.188   8.1484 1.266037 16.29672 
1 1 1   10   25   23 o  102.445   3.7342 -1.723915 7.468379 
1 1 1   10   25   24 o  145.536   2.9343 -4.675705 5.868683 
1 1 1   10   25   25 o   24.819   7.8690 -1.447735 15.73793 
1 1 1   10   25   26 o   72.396   5.6030 -4.348038 11.20601 
1 1 1   10   25   27 o   88.374   4.8800 -12.61603 9.760018 
1 1 1   10   25   28 o   26.165   8.2395 -19.04698 16.47894 
1 1 1   10   26    0 x  ?   ?       ?      ? 
1 1 1   10   26    1 o  137.803   2.7818 2.982101 5.563586 
1 1 1   10   26    2 o   98.515   4.2066 9.816475 8.413298 
1 1 1   10   26    3 o  131.027   2.8845 3.027679 5.768904 
1 1 1   10   26    4 o   36.002   9.1219 -7.302788 18.24382 
1 1 1   10   26    5 o   30.930   8.3482 -7.764616 16.69638 
1 1 1   10   26    6 o  132.178   2.8284 2.313232 5.656701 
1 1 1   10   26    7 o   21.917   6.9821 -4.766991 13.96417 
1 1 1   10   26    8 o   47.342   9.3691 -18.08269 18.73819 
1 1 1   10   26    9 o  195.032   2.8351 9.084335 5.670290 
1 1 1   10   26   10 o  202.534   2.7619 -6.033600 5.523759 
1 1 1   10   26   11 o   84.079   5.5690 -20.06544 11.13793 
1 1 1   10   26   12 o   56.362   8.0245 17.78520 16.04895 
1 1 1   10   26   13 o  155.137   3.0364 4.318451 6.072779 
1 1 1   10   26   14 o  115.284   5.1580 -22.68806 10.31596 
1 1 1   10   26   15 o  104.903   4.3321 -11.47902 8.664173 
1 1 1   10   26   16 o   33.989   9.0940 -4.321182 18.18797 
1 1 1   10   26   17 o  130.762   3.4022 -10.54342 6.804383 
1 1 1   10   26   18 o   65.509   8.3031 -29.33741 16.60618 
1 1 1   10   26   19 o   21.633   6.8105 -2.185955 13.62096 
1 1 1   10   26   20 o   26.630   7.7196 8.319439 15.43930 
1 1 1   10   26   21 o   28.252   7.8020 -2.460274 15.60407 
1 1 1   10   26   22 o   75.531   5.1024 3.289307 10.20476 
1 1 1   10   26   23 o   70.071   5.2195 11.36611 10.43906 
1 1 1   10   26   24 o   67.811   5.6037 3.552208 11.20750 
1 1 1   10   26   25 o   31.395   8.1345 -15.37568 16.26904 
1 1 1   10   26   26 o   53.580   7.5422 -17.43395 15.08435 
1 1 1   10   26   27 o   27.788   8.3266 0.4539700 16.65330 
1 1 1   10   27    0 o  277.422   3.3976 0.000000 0.000000 
1 1 1   10   27    1 o   43.521   8.1827 -9.517944 16.36540 
1 1 1   10   27    2 o   76.891   5.4131 -3.664558 10.82621 
1 1 1   10   27    3 o   96.252   3.8104 -10.55169 7.620772 
1 1 1   10   27    4 o  105.234   3.4782 -4.592194 6.956396 
1 1 1   10   27    5 o  104.711   3.5171 -6.434837 7.034280 
1 1 1   10   27    6 o   87.496   4.0412 -14.13840 8.082448 
1 1 1   10   27    7 o  106.767   3.2219 -8.168137 6.443853 
1 1 1   10   27    8 o  160.495   2.8653 2.420837 5.730618 
1 1 1   10   27    9 o   20.856   7.1432 3.936464 14.28648 
1 1 1   10   27   10 f   23.884   7.7342 5.853340 15.46833 
1 1 1   10   27   11 o  101.495   4.3397 -18.68590 8.679316 
1 1 1   10   27   12 o  129.393   3.5517 13.48579 7.103432 
1 1 1   10   27   13 o  143.251   3.2932 -7.854416 6.586439 
1 1 1   10   27   14 o   55.052   7.9701 7.293369 15.94028 
1 1 1   10   27   15 o  182.665   2.7120 2.204742 5.424000 
1 1 1   10   27   16 o  144.492   3.1794 3.885483 6.358810 
1 1 1   10   27   17 o   40.273   9.4610 5.220753 18.92197 
1 1 1   10   27   18 o   24.915   7.9398 5.444588 15.87964 
1 1 1   10   27   19 o   18.892   6.2698 9.748024 12.53962 
1 1 1   10   27   20 o   86.555   3.8320 14.25714 7.663910 
1 1 1   10   27   21 o   55.335   6.5795 -8.071384 13.15909 
1 1 1   10   27   22 o   22.143   7.0399 10.84860 14.07976 
1 1 1   10   27   23 o   61.892   5.8293 2.341766 11.65866 
1 1 1   10   27   24 o   37.572   8.8103 0.2953644 17.62061 
1 1 1   10   27   25 o   90.115   5.1291 -25.47397 10.25811 
1 1 1   10   27   26 o   22.356   7.3728 -5.435808 14.74556 
1 1 1   10   28    0 o   23.474   10.628 0.000000 0.000000 
1 1 1   10   28    1 o   35.229   8.4802 -2.708893 16.96048 
1 1 1   10   28    2 o   39.174   8.3952 -4.602406 16.79040 
1 1 1   10   28    3 o  149.154   2.8509 1.917801 5.701732 
1 1 1   10   28    4 o  103.423   3.4581 3.933426 6.916282 
1 1 1   10   28    5 o   31.737   7.6467 10.86425 15.29346 
1 1 1   10   28    6 o   63.447   5.3857 15.18656 10.77143 
1 1 1   10   28    7 o   18.645   6.4111 -7.277697 12.82224 
1 1 1   10   28    8 o   48.450   6.7676 10.09879 13.53510 
1 1 1   10   28    9 o   36.266   8.7517 14.35160 17.50344 
1 1 1   10   28   10 o   29.798   8.5407 12.36903 17.08140 
1 1 1   10   28   11 o   19.444   6.7023 0.9212685E-01 13.40450 
1 1 1   10   28   12 o  132.260   3.3857 -3.706100 6.771358 
1 1 1   10   28   13 o   66.242   6.1290 -1.386497 12.25808 
1 1 1   10   28   14 o   35.599   8.7870 -19.21264 17.57395 
1 1 1   10   28   15 o  121.399   5.0568 24.27193 10.11351 
1 1 1   10   28   16 o   22.367   7.4921 0.4962482 14.98415 
1 1 1   10   28   17 o   52.453   8.4098 17.19086 16.81955 
1 1 1   10   28   18 o   77.643   5.8925 9.459991 11.78503 
1 1 1   10   28   19 o  147.420   2.7071 0.7987671 5.414288 
1 1 1   10   28   20 o   41.036   7.6767 -12.22749 15.35336 
1 1 1   10   28   21 o   61.864   5.4746 5.585270 10.94912 
1 1 1   10   28   22 f   26.289   7.9351 0.9132538 15.87016 
1 1 1   10   28   23 o   53.798   7.3149 -23.47703 14.62982 
1 1 1   10   28   24 o   64.715   5.9463 0.9086304 11.89263 
1 1 1   10   28   25 o   28.546   8.2404 -0.7565632 16.48073 
1 1 1   10   29    0 o  128.692   4.4720 0.000000 0.000000 
1 1 1   10   29    1 o   44.662   7.2790 23.72021 14.55790 
1 1 1   10   29    2 o   50.347   7.0284 0.4789276 14.05686 
1 1 1   10   29    3 o  115.338   3.2903 -8.638939 6.580553 
1 1 1   10   29    4 o   73.584   4.8081 -0.4112473 9.616254 
1 1 1   10   29    5 o   47.835   6.8446 0.9218216E-01 13.68922 
1 1 1   10   29    6 o   33.836   6.7530 -31.00780 13.50602 
1 1 1   10   29    7 o   61.892   5.2000 4.908813 10.39995 
1 1 1   10   29    8 o   24.188   7.2641 -9.664232 14.52819 
1 1 1   10   29    9 o   38.349   8.6148 24.13323 17.22957 
1 1 1   10   29   10 o   47.394   8.3235 -8.473526 16.64701 
1 1 1   10   29   11 o   43.802   8.6892 -1.611660 17.37843 
1 1 1   10   29   12 o   76.554   6.3177 -42.71749 12.63548 
1 1 1   10   29   13 o   51.070   9.5064 -5.704014 19.01274 
1 1 1   10   29   14 f  115.508   3.9081 7.756111 7.816260 
1 1 1   10   29   15 o  125.448   3.4983 7.162956 6.996640 
1 1 1   10   29   16 o   42.811   9.1691 -0.8090935 18.33814 
1 1 1   10   29   17 o  103.725   4.3669 -1.760384 8.733861 
1 1 1   10   29   18 o   52.900   8.5834 -9.535465 17.16682 
1 1 1   10   29   19 o   75.095   6.1706 14.90927 12.34116 
1 1 1   10   29   20 o   70.538   4.5569 4.111176 9.113719 
1 1 1   10   29   21 o   62.168   5.4335 0.2389526E-01 10.86695 
1 1 1   10   29   22 f   74.767   4.8022 6.046288 9.604456 
1 1 1   10   29   23 o   71.328   5.4147 -26.43147 10.82931 
1 1 1   10   29   24 o   43.319   8.8523 -1.592197 17.70459 
1 1 1   10   30    0 o   17.558   8.8310 0.000000 0.000000 
1 1 1   10   30    1 o   79.145   4.3720 -5.664055 8.744074 
1 1 1   10   30    2 o   69.405   5.7157 7.912415 11.43145 
1 1 1   10   30    3 o  170.912   2.2628 8.391464 4.525573 
1 1 1   10   30    4 o   34.880   8.0152 -9.301769 16.03041 
1 1 1   10   30    5 o   24.805   7.5703 -1.026827 15.14058 
1 1 1   10   30    6 o  158.724   2.3021 -0.9080200 4.604158 
1 1 1   10   30    7 o   58.802   6.1635 -25.66146 12.32694 
1 1 1   10   30    8 o  173.781   2.3788 -0.1748810 4.757630 
1 1 1   10   30    9 o   94.622   3.4595 -30.17622 6.918940 
1 1 1   10   30   10 o  103.511   5.5525      ?      ? 
1 1 1   10   30   11 o   18.848   6.5231 1.699551 13.04624 
1 1 1   10   30   12 o   96.956   4.6047 -2.476852 9.209421 
1 1 1   10   30   13 o   90.553   4.5804 6.063644 9.160808 
1 1 1   10   30   14 o   51.157   8.1609 2.291229 16.32190 
1 1 1   10   30   15 o   18.042   6.3383 -1.677080 12.67656 
1 1 1   10   30   16 o   60.083   8.1698 22.51112 16.33966 
1 1 1   10   30   17 o   43.880   9.3597 7.728130 18.71940 
1 1 1   10   30   18 o   87.882   5.2955 5.558151 10.59107 
1 1 1   10   30   19 o   75.017   6.1636 10.29322 12.32718 
1 1 1   10   30   20 o   29.518   7.7726 -4.888048 15.54528 
1 1 1   10   30   21 o   83.896   3.9298 3.493690 7.859596 
1 1 1   10   30   22 o   34.782   7.0035 -33.30511 14.00707 
1 1 1   10   30   23 o   25.054   7.7692 -20.13295 15.53847 
1 1 1   10   31    0 o   37.790   12.623 0.000000 0.000000 
1 1 1   10   31    1 o   59.085   6.4390 17.75352 12.87797 
1 1 1   10   31    2 o  107.519   3.4113 -12.99634 6.822526 
1 1 1   10   31    3 o   16.201   5.6742 -1.615863 11.34841 
1 1 1   10   31    4 o   84.941   5.5859 14.79090 11.17176 
1 1 1   10   31    5 o  109.030   4.3553 -4.366272 8.710669 
1 1 1   10   31    6 o   92.237   3.7885 -15.42178 7.576997 
1 1 1   10   31    7 o  189.401   2.1450 -4.691635 4.290047 
1 1 1   10   31    8 o   19.422   6.4203 -11.37866 12.84052 
1 1 1   10   31    9 o   56.326   5.4824 -4.536388 10.96482 
1 1 1   10   31   10 o   29.670   7.6385 -4.791348 15.27706 
1 1 1   10   31   11 o   36.707   9.1787 1.103455 18.35731 
1 1 1   10   31   12 o   26.709   7.9215 17.38528 15.84294 
1 1 1   10   31   13 f   27.485   8.3060 8.755758 16.61208 
1 1 1   10   31   14 o   23.979   7.8376 4.678768 15.67511 
1 1 1   10   31   15 o   87.558   5.0845 -2.247993 10.16894 
1 1 1   10   31   16 o   56.712   7.6030 17.14906 15.20591 
1 1 1   10   31   17 o   51.482   9.2226 -4.275177 18.44529 
1 1 1   10   31   18 o   27.797   8.4159 6.043402 16.83184 
1 1 1   10   31   19 o   26.751   8.2047 13.78302 16.40932 
1 1 1   10   31   20 o   79.966   4.8462 -10.93051 9.692472 
1 1 1   10   31   21 o   61.466   5.3072 -1.105164 10.61439 
1 1 1   10   32    0 o   52.983   11.592 0.000000 0.000000 
1 1 1   10   32    1 o   27.999   7.2411 20.02530 14.48221 
1 1 1   10   32    2 o   50.153   7.1073 3.218567 14.21465 
1 1 1   10   32    3 o   75.708   4.6413 5.106499 9.282681 
1 1 1   10   32    4 o   47.979   7.2058 15.49706 14.41153 
1 1 1   10   32    5 o   29.079   7.9599 2.661022 15.91974 
1 1 1   10   32    6 f   19.026   6.2964 4.550383 12.59289 
1 1 1   10   32    7 o   29.243   7.8728 -7.042007 15.74570 
1 1 1   10   32    8 x  ?   ?       ?      ? 
1 1 1   10   32    9 o   29.857   7.6146 6.977720 15.22927 
1 1 1   10   32   10 o   80.470   4.0263 -6.041451 8.052588 
1 1 1   10   32   11 o  109.525   4.0893 13.05817 8.178567 
1 1 1   10   32   12 o   31.960   8.8286 -6.890190 17.65712 
1 1 1   10   32   13 o   72.258   6.2303 -8.405914 12.46062 
1 1 1   10   32   14 o   72.683   6.1626 1.046600 12.32529 
1 1 1   10   32   15 o   32.215   9.0291 5.449764 18.05822 
1 1 1   10   32   16 o   31.361   8.5819 19.85823 17.16385 
1 1 1   10   32   17 f   30.054   8.9767 3.133907 17.95332 
1 1 1   10   32   18 o   30.221   8.9598 3.274239 17.91954 
1 1 1   10   32   19 o   26.085   8.2924 2.294989 16.58489 
1 1 1   10   32   20 x  ?   ?       ?      ? 
1 1 1   10   33    0 o  116.310   5.5420 0.000000 0.000000 
1 1 1   10   33    1 o   74.973   4.6270 2.883820 9.253924 
1 1 1   10   33    2 o   65.587   5.4917 18.75697 10.98333 
1 1 1   10   33    3 o   55.614   6.5604 21.96846 13.12075 
1 1 1   10   33    4 o   17.002   5.9142 -3.887524 11.82844 
1 1 1   10   33    5 o   18.601   6.3146 -8.540492 12.62919 
1 1 1   10   33    6 o   63.369   5.4705 11.54363 10.94104 
1 1 1   10   33    7 o   50.265   7.1731 -8.702873 14.34628 
1 1 1   10   33    8 o   67.339   4.8441 -5.173988 9.688150 
1 1 1   10   33    9 o   23.944   7.3305 -5.316019 14.66098 
1 1 1   10   33   10 o   17.276   5.9409 -0.1386395 11.88172 
1 1 1   10   33   11 o   19.545   6.5166 -7.811218 13.03318 
1 1 1   10   33   12 o   27.169   8.3734 -1.312220 16.74681 
1 1 1   10   33   13 o   40.658   9.1981 -7.892010 18.39628 
1 1 1   10   33   14 o   30.103   8.6249 14.06639 17.24982 
1 1 1   10   33   15 o   24.375   7.8314 -4.644213 15.66283 
1 1 1   10   33   16 o   40.543   8.9202 -15.20259 17.84044 
1 1 1   10   33   17 o   22.556   7.5971 7.936668 15.19420 
1 1 1   10   33   18 o   16.217   8.1056      ?      ? 
1 1 1   10   34    0 o   18.308   8.9959 0.000000 0.000000 
1 1 1   10   34    1 o   33.368   8.1119 -15.78593 16.22381 
1 1 1   10   34    2 o   45.963   7.8142 -2.497105 15.62837 
1 1 1   10   34    3 o   24.704   7.5616 -0.6044559 15.12319 
1 1 1   10   34    4 f   84.321   4.2177 7.289024 8.435474 
1 1 1   10   34    5 o   35.437   8.3244 -4.863098 16.64884 
1 1 1   10   34    6 o   60.154   5.7364 9.337776 11.47286 
1 1 1   10   34    7 o   29.844   8.0666 -7.073492 16.13317 
1 1 1   10   34    8 o   57.811   5.8092 -9.384411 11.61833 
1 1 1   10   34    9 o   61.925   6.0155 10.64842 12.03096 
1 1 1   10   34   10 o   46.301   7.4459 7.478031 14.89173 
1 1 1   10   34   11 o   35.076   8.1627 -8.950930 16.32530 
1 1 1   10   34   12 o   50.669   6.8739 2.321049 13.74788 
1 1 1   10   34   13 o   55.386   8.0954 25.15388 16.19080 
1 1 1   10   34   14 o   65.629   6.8834 9.453754 13.76683 
1 1 1   10   34   15 o   38.211   9.8567 -7.015438 19.71344 
1 1 1   10   34   16 o   19.333   9.4585      ?      ? 
1 1 1   10   35    0 o   67.089   8.8572 0.000000 0.000000 
1 1 1   10   35    1 o   78.352   4.6886 1.165016 9.377135 
1 1 1   10   35    2 o   27.691   7.8245 -10.62420 15.64897 
1 1 1   10   35    3 o   27.101   7.4024 15.75797 14.80479 
1 1 1   10   35    4 o   22.293   7.1510 -8.266790 14.30202 
1 1 1   10   35    5 o   27.939   7.8644 3.502321 15.72884 
1 1 1   10   35    6 o   18.753   6.3287 1.985237 12.65737 
1 1 1   10   35    7 o   85.978   4.1243 -5.876648 8.248514 
1 1 1   10   35    8 o   69.820   5.3178 6.648941 10.63561 
1 1 1   10   35    9 o   46.436   7.9083 -10.48887 15.81662 
1 1 1   10   35   10 o   48.474   7.4982 7.144558 14.99643 
1 1 1   10   35   11 o   50.705   7.1652 2.818027 14.33038 
1 1 1   10   35   12 o   60.360   6.5908 22.68006 13.18150 
1 1 1   10   35   13 o   33.945   8.8098 -10.84440 17.61966 
1 1 1   10   36    0 f   21.799   10.122 0.000000 0.000000 
1 1 1   10   36    1 o   23.460   6.9876 -15.13465 13.97513 
1 1 1   10   36    2 o   32.907   7.5003 -22.86841 15.00057 
1 1 1   10   36    3 o   26.336   7.6682 -9.065491 15.33639 
1 1 1   10   36    4 o   26.593   7.4627 12.93312 14.92544 
1 1 1   10   36    5 o   29.150   7.9990 -1.396446 15.99809 
1 1 1   10   36    6 o   43.243   7.9094 -10.41117 15.81878 
1 1 1   10   36    7 o   19.274   6.5305 -5.261492 13.06104 
1 1 1   10   36    8 o   16.837   5.8784 0.1291313 11.75674 
1 1 1   10   36    9 f   26.427   7.9699 -4.221064 15.93985 
1 1 1   10   36   10 f   30.733   8.2705 -18.23899 16.54103 
1 1 1   10   37    0 o   33.318   12.898 0.000000 0.000000 
1 1 1   10   37    1 o   30.896   7.9222 15.12944 15.84448 
1 1 1   10   37    2 f   18.649   6.3083 -1.918360 12.61660 
1 1 1   10   37    3 f   46.201   7.9178 -10.82877 15.83562 
1 1 1   10   37    4 o   40.681   7.9382 -0.4512024E-01 15.87639 
1 1 1   10   37    5 f   32.558   8.1416 5.387989 16.28321 
1 1 1   10   37    6 x  ?   ?       ?      ? 
1 1 1   11    0    1 o   61.027   2.3853 0.000000 0.000000 
1 1 1   11    0    2 o  141.826   1.5012 0.000000 0.000000 
1 1 1   11    0    3 o  515.318   3.8346 0.000000 0.000000 
1 1 1   11    0    4 o  285.385   2.2170 0.000000 0.000000 
1 1 1   11    0    5 o  279.341   2.1857 0.000000 0.000000 
1 1 1   11    0    6 o  162.962   1.6790 0.000000 0.000000 
1 1 1   11    0    7 o  122.220   2.2416 0.000000 0.000000 
1 1 1   11    0    8 o  286.579   2.2769 0.000000 0.000000 
1 1 1   11    0    9 o  161.303   2.2653 0.000000 0.000000 
1 1 1   11    0   10 o   14.002   6.5031 0.000000 0.000000 
1 1 1   11    0   11 o   85.379   2.9516 0.000000 0.000000 
1 1 1   11    0   12 o  834.685   6.1989 0.000000 0.000000 
1 1 1   11    0   13 o  432.959   4.0513 0.000000 0.000000 
1 1 1   11    0   14 o   99.165   3.3248 0.000000 0.000000 
1 1 1   11    0   15 o   36.698   9.5930 0.000000 0.000000 
1 1 1   11    0   16 o  778.698   5.8018 0.000000 0.000000 
1 1 1   11    0   17 o  268.081   3.6655 0.000000 0.000000 
1 1 1   11    0   18 o  289.676   3.1543 0.000000 0.000000 
1 1 1   11    0   19 o  374.425   3.8978 0.000000 0.000000 
1 1 1   11    0   20 o  269.918   4.1929 0.000000 0.000000 
1 1 1   11    0   21 o   31.720   13.000 0.000000 0.000000 
1 1 1   11    0   22 o  343.335   4.0789 0.000000 0.000000 
1 1 1   11    0   23 o  386.027   4.3306 0.000000 0.000000 
1 1 1   11    0   24 o  285.945   4.1694 0.000000 0.000000 
1 1 1   11    0   25 o  102.693   9.2686 0.000000 0.000000 
1 1 1   11    0   26 f   21.452   10.662 0.000000 0.000000 
1 1 1   11    0   27 o  103.086   8.1216 0.000000 0.000000 
1 1 1   11    0   28 f  190.310   4.6389 0.000000 0.000000 
1 1 1   11    0   29 o  289.053   3.6636 0.000000 0.000000 
1 1 1   11    0   30 o  104.401   7.4980 0.000000 0.000000 
1 1 1   11    0   31 o   63.454   13.791 0.000000 0.000000 
1 1 1   11    0   32 o   36.272   14.005 0.000000 0.000000 
1 1 1   11    0   33 o  102.186   7.6298 0.000000 0.000000 
1 1 1   11    0   34 o  113.431   6.4543 0.000000 0.000000 
1 1 1   11    0   35 o   37.229   13.973 0.000000 0.000000 
1 1 1   11    0   36 o  125.217   6.2603 0.000000 0.000000 
1 1 1   11    0   37 o   17.691   9.0967 0.000000 0.000000 
1 1 1   11    0   38 o   35.372   13.009 0.000000 0.000000 
1 1 1   11    1    0 o  164.382   1.5352 0.000000 0.000000 
1 1 1   11    1    1 o   88.712   1.2400 -5.466194 2.479911 
1 1 1   11    1    2 f  223.636   1.2823 1.264709 2.564551 
1 1 1   11    1    3 o  136.927   1.0988 -1.437073 2.197545 
1 1 1   11    1    4 o  412.791   2.1885 -1.238037 4.376988 
1 1 1   11    1    5 o  260.623   1.4670 -3.009369 2.934052 
1 1 1   11    1    6 o  228.075   1.6684 -10.95738 3.336822 
1 1 1   11    1    7 o  408.843   2.1825 0.6418762 4.364949 
1 1 1   11    1    8 f  161.483   1.2705 1.129593 2.540965 
1 1 1   11    1    9 o  401.605   2.3309 0.7586975 4.661853 
1 1 1   11    1   10 f  312.563   1.7513 -0.9518433 3.502644 
1 1 1   11    1   11 o  431.287   2.3156 -0.4205322 4.631167 
1 1 1   11    1   12 o   65.716   2.9083 7.370937 5.816580 
1 1 1   11    1   13 o  407.688   2.2217 1.414276 4.443365 
1 1 1   11    1   14 o  108.691   2.1132 -1.331284 4.226323 
1 1 1   11    1   15 o  289.791   1.9215 -4.401733 3.843070 
1 1 1   11    1   16 o  393.319   2.5441 -1.637512 5.088291 
1 1 1   11    1   17 o  212.867   2.3215 3.114136 4.642956 
1 1 1   11    1   18 o  519.626   3.0529 1.734131 6.105746 
1 1 1   11    1   19 o  224.776   2.2158 2.999161 4.431676 
1 1 1   11    1   20 o  525.041   3.1728 -7.150879 6.345681 
1 1 1   11    1   21 o  133.881   3.7041 8.299210 7.408212 
1 1 1   11    1   22 o  158.347   3.1865 6.501740 6.372976 
1 1 1   11    1   23 o  438.916   2.8232 -0.2615356 5.646396 
1 1 1   11    1   24 o  176.006   3.5970 -10.82436 7.193926 
1 1 1   11    1   25 o  123.524   4.2959 0.7850647E-02 8.591866 
1 1 1   11    1   26 o   87.654   6.2237 4.351639 12.44746 
1 1 1   11    1   27 o  227.126   2.6581 3.695114 5.316186 
1 1 1   11    1   28 o   35.716   9.3581 -17.83661 18.71621 
1 1 1   11    1   29 o   90.571   5.4676 -3.952751 10.93529 
1 1 1   11    1   30 o  128.011   3.8391 -6.864548 7.678111 
1 1 1   11    1   31 o   60.617   8.1440 -36.19926 16.28810 
1 1 1   11    1   32 o  112.088   4.8929 -1.521774 9.785800 
1 1 1   11    1   33 o  118.104   3.9282 4.402473 7.856487 
1 1 1   11    1   34 o   24.782   7.9841 -4.003799 15.96814 
1 1 1   11    1   35 o   25.556   8.2502 -0.1998329 16.50034 
1 1 1   11    1   36 o   48.294   10.086 12.24356 20.17128 
1 1 1   11    1   37 o   66.036   8.6505 39.41351 17.30104 
1 1 1   11    1   38 o   49.033   8.6285 24.71766 17.25694 
1 1 1   11    2    0 o  228.460   1.8355 0.000000 0.000000 
1 1 1   11    2    1 o  468.851   2.4696 2.393646 4.939188 
1 1 1   11    2    2 o  116.522   1.0987 -2.821709 2.197399 
1 1 1   11    2    3 o   91.742   1.3055 0.2639999 2.611014 
1 1 1   11    2    4 o  243.335   1.3835 -0.5284271 2.766973 
1 1 1   11    2    5 o  380.836   2.0326 0.3621826 4.065145 
1 1 1   11    2    6 o  232.399   1.3696 2.092941 2.739279 
1 1 1   11    2    7 o  361.865   1.9523 2.999603 3.904691 
1 1 1   11    2    8 o  277.614   1.5758 0.5761108 3.151544 
1 1 1   11    2    9 o  177.044   1.3287 -5.408325 2.657488 
1 1 1   11    2   10 o  209.364   1.3874 5.397827 2.774860 
1 1 1   11    2   11 o  167.155   1.7904 -9.301758 3.580762 
1 1 1   11    2   12 o  482.952   2.5806 1.187683 5.161279 
1 1 1   11    2   13 f  585.902   3.1020 4.690491 6.204032 
1 1 1   11    2   14 o  557.721   2.9654 0.6251831 5.930769 
1 1 1   11    2   15 o  472.046   2.7514 5.441193 5.502733 
1 1 1   11    2   16 o  333.895   2.0621 -2.166901 4.124173 
1 1 1   11    2   17 o   79.352   3.8324 -5.268639 7.664840 
1 1 1   11    2   18 o  155.962   2.6759 -6.398483 5.351720 
1 1 1   11    2   19 o  213.998   2.4247 -0.5271912E-01 4.849494 
1 1 1   11    2   20 f  108.621   3.9754 -11.76488 7.950745 
1 1 1   11    2   21 o  208.617   2.6689 1.603470 5.337835 
1 1 1   11    2   22 o  146.826   3.2868 3.362183 6.573597 
1 1 1   11    2   23 o  237.016   2.7757 -2.739258 5.551402 
1 1 1   11    2   24 o   81.034   6.5703 -1.437393 13.14061 
1 1 1   11    2   25 o  159.856   3.5547 -6.416611 7.109349 
1 1 1   11    2   26 o  195.403   3.0848 2.381058 6.169517 
1 1 1   11    2   27 o   29.649   9.1876 1.247540 18.37511 
1 1 1   11    2   28 o  118.863   4.3874 14.35832 8.774877 
1 1 1   11    2   29 o   30.851   9.2899 -0.1900616 18.57977 
1 1 1   11    2   30 o   97.689   5.0216 14.67914 10.04314 
1 1 1   11    2   31 o   58.593   8.1802 -8.622242 16.36043 
1 1 1   11    2   32 o   73.099   6.4422 8.689117 12.88444 
1 1 1   11    2   33 o   31.281   8.9951 9.014034 17.99026 
1 1 1   11    2   34 o   69.655   8.4331 23.79799 16.86613 
1 1 1   11    2   35 o   75.059   7.0188 2.317101 14.03752 
1 1 1   11    2   36 o   46.310   9.5179 22.19230 19.03580 
1 1 1   11    2   37 o   40.468   10.040 8.242851 20.08069 
1 1 1   11    2   38 o   30.480   8.8154 -20.72649 17.63081 
1 1 1   11    3    0 o   43.976   3.4366 0.000000 0.000000 
1 1 1   11    3    1 o  166.997   1.0960 2.190109 2.192017 
1 1 1   11    3    2 o  232.630   1.3278 -0.9678040 2.655700 
1 1 1   11    3    3 o  169.498   1.1217 -3.594177 2.243481 
1 1 1   11    3    4 o  357.919   1.9173 5.549652 3.834589 
1 1 1   11    3    5 o  274.867   1.5292 -2.137909 3.058416 
1 1 1   11    3    6 o  436.206   2.3163 2.045349 4.632621 
1 1 1   11    3    7 o  640.544   3.3662 -3.827454 6.732334 
1 1 1   11    3    8 o  202.469   1.4366 -3.754196 2.873150 
1 1 1   11    3    9 o  394.184   2.1198 -3.772217 4.239615 
1 1 1   11    3   10 o  192.919   1.3626 -2.362717 2.725212 
1 1 1   11    3   11 o  444.464   2.5727 1.009003 5.145467 
1 1 1   11    3   12 o  150.716   1.5319 2.543793 3.063826 
1 1 1   11    3   13 f  446.618   2.4099 0.5987854 4.819876 
1 1 1   11    3   14 o  188.394   1.9951 14.13878 3.990218 
1 1 1   11    3   15 o  269.723   1.8761 2.351593 3.752294 
1 1 1   11    3   16 f   34.872   7.2064 20.90579 14.41276 
1 1 1   11    3   17 o  302.847   2.2470 -10.33661 4.493937 
1 1 1   11    3   18 o  155.649   2.2887 -1.399933 4.577398 
1 1 1   11    3   19 o  317.575   2.1392 8.184906 4.278454 
1 1 1   11    3   20 o  255.686   2.2882 10.11617 4.576356 
1 1 1   11    3   21 o  373.151   2.5375 1.403351 5.074907 
1 1 1   11    3   22 o  177.633   2.9590 1.250000 5.918101 
1 1 1   11    3   23 o  109.912   5.5050 -4.366608 11.00993 
1 1 1   11    3   24 o  266.781   2.4731 3.726349 4.946263 
1 1 1   11    3   25 o  278.238   2.4481 0.2629089 4.896279 
1 1 1   11    3   26 o  196.725   2.9141 -3.762878 5.828291 
1 1 1   11    3   27 o  146.297   3.7861 -3.535355 7.572186 
1 1 1   11    3   28 o   27.656   8.7481 -6.917118 17.49624 
1 1 1   11    3   29 o  100.014   4.9882 9.770836 9.976300 
1 1 1   11    3   30 o  121.770   4.0190 6.548103 8.037956 
1 1 1   11    3   31 o   88.663   5.2740 4.851738 10.54798 
1 1 1   11    3   32 o   54.187   9.6491 -17.12933 19.29811 
1 1 1   11    3   33 o   51.602   9.8855 -2.346188 19.77109 
1 1 1   11    3   34 o   43.124   9.8347 11.60002 19.66937 
1 1 1   11    3   35 o   46.264   9.3993 -27.40330 18.79864 
1 1 1   11    3   36 o   35.313   9.7584 -16.13459 19.51679 
1 1 1   11    3   37 o   38.150   9.8700 -7.812260 19.74004 
1 1 1   11    3   38 x  ?   ?       ?      ? 
1 1 1   11    4    0 o  317.350   2.4197 0.000000 0.000000 
1 1 1   11    4    1 f  237.505   1.3436 2.278763 2.687260 
1 1 1   11    4    2 o  134.151   1.1059 1.288940 2.211706 
1 1 1   11    4    3 o  465.924   2.4587 4.198792 4.917472 
1 1 1   11    4    4 o  277.167   1.5345 -2.118958 3.068921 
1 1 1   11    4    5 o  283.731   1.5704 -4.132599 3.140812 
1 1 1   11    4    6 o  280.093   1.5669 0.7022705 3.133814 
1 1 1   11    4    7 o   62.015   2.2256 -6.690205 4.451155 
1 1 1   11    4    8 o  177.653   1.2912 1.648895 2.582397 
1 1 1   11    4    9 o   57.362   2.7009 -3.961361 5.401821 
1 1 1   11    4   10 o  424.421   2.2802 7.525421 4.560465 
1 1 1   11    4   11 o  292.327   1.6894 2.232025 3.378887 
1 1 1   11    4   12 o  165.752   2.1229 -27.47003 4.245743 
1 1 1   11    4   13 o  448.581   2.6121 5.106903 5.224157 
1 1 1   11    4   14 f  296.972   1.7828 0.8336182 3.565639 
1 1 1   11    4   15 o   38.710   6.8634 -2.156387 13.72674 
1 1 1   11    4   16 o  363.599   2.1743 0.6669617 4.348692 
1 1 1   11    4   17 o  214.830   2.5817 28.62492 5.163334 
1 1 1   11    4   18 f  136.111   2.7918 -4.425049 5.583695 
1 1 1   11    4   19 o  432.063   2.9575 -12.15747 5.915038 
1 1 1   11    4   20 o  369.482   2.5491 -8.078705 5.098195 
1 1 1   11    4   21 o  168.046   3.3739 -0.6350861 6.747844 
1 1 1   11    4   22 o  170.443   2.9151 2.978668 5.830238 
1 1 1   11    4   23 o  250.250   3.9849      ?      ? 
1 1 1   11    4   24 o  188.603   2.9671 -3.282440 5.934157 
1 1 1   11    4   25 o  116.925   4.5196 1.807014 9.039262 
1 1 1   11    4   26 o  286.121   2.4654 -2.276062 4.930734 
1 1 1   11    4   27 o   97.149   5.2029 -7.760780 10.40587 
1 1 1   11    4   28 o   94.210   5.5100 -15.49686 11.01999 
1 1 1   11    4   29 o   48.771   9.3153 2.363285 18.63070 
1 1 1   11    4   30 o  127.830   4.2024 -10.92690 8.404829 
1 1 1   11    4   31 o  144.257   3.8071 -1.957077 7.614159 
1 1 1   11    4   32 o   75.366   7.0402 -7.357811 14.08039 
1 1 1   11    4   33 o  102.604   5.0118 -1.154610 10.02363 
1 1 1   11    4   34 o   52.295   9.6501 12.18400 19.30026 
1 1 1   11    4   35 o   27.752   8.3154 16.21997 16.63075 
1 1 1   11    4   36 o  105.046   4.9025 -4.016220 9.804916 
1 1 1   11    4   37 o   38.307   9.7600 -2.363880 19.52003 
1 1 1   11    5    0 o  358.387   2.7073 0.000000 0.000000 
1 1 1   11    5    1 o  402.025   2.1320 -1.164246 4.264052 
1 1 1   11    5    2 o  414.591   2.1972 2.392822 4.394331 
1 1 1   11    5    3 o  151.782   1.1147 -4.682648 2.229459 
1 1 1   11    5    4 f  216.649   1.2964 0.5314178 2.592896 
1 1 1   11    5    5 o  318.796   1.7355 -0.3993530 3.470981 
1 1 1   11    5    6 o  218.775   1.3352 -1.676392 2.670367 
1 1 1   11    5    7 o  132.277   1.5106 2.959763 3.021105 
1 1 1   11    5    8 o  231.539   1.4087 -0.2597046 2.817422 
1 1 1   11    5    9 o  355.537   2.0952 -3.253723 4.190422 
1 1 1   11    5   10 o  227.432   1.4507 0.9416809 2.901346 
1 1 1   11    5   11 o  283.850   1.6566 -3.037201 3.313273 
1 1 1   11    5   12 f  130.941   2.0738 -7.561569 4.147568 
1 1 1   11    5   13 o  263.819   1.9116 1.406494 3.823136 
1 1 1   11    5   14 o  280.797   1.8127 3.140778 3.625466 
1 1 1   11    5   15 o  226.017   1.7610 0.2257996 3.521907 
1 1 1   11    5   16 o  432.008   2.4729 -2.753845 4.945868 
1 1 1   11    5   17 o  130.497   2.6366 -6.690750 5.273262 
1 1 1   11    5   18 o   68.281   5.1915 -12.52492 10.38308 
1 1 1   11    5   19 f  194.439   3.0506 5.816742 6.101290 
1 1 1   11    5   20 o  143.384   3.1301 -2.221573 6.260270 
1 1 1   11    5   21 o  355.765   3.3562 15.80856 6.712345 
1 1 1   11    5   22 o  384.665   2.4558 -2.961578 4.911574 
1 1 1   11    5   23 o  299.177   2.4451 1.372925 4.890232 
1 1 1   11    5   24 o  104.095   4.9085 -7.334717 9.817030 
1 1 1   11    5   25 o  276.409   2.4870 -2.497711 4.973982 
1 1 1   11    5   26 o  235.158   2.5512 -2.748856 5.102437 
1 1 1   11    5   27 o   27.358   8.7104 -4.071510 17.42070 
1 1 1   11    5   28 o   30.016   8.9938 -6.698725 17.98755 
1 1 1   11    5   29 o   84.845   6.3862 -9.067368 12.77247 
1 1 1   11    5   30 o  172.941   3.2686 6.892700 6.537103 
1 1 1   11    5   31 o   20.326   7.0794 -1.345345 14.15884 
1 1 1   11    5   32 o   78.902   6.4399 9.932777 12.87975 
1 1 1   11    5   33 o   71.900   7.3389 10.32330 14.67771 
1 1 1   11    5   34 f  121.524   4.4794 -2.852440 8.958733 
1 1 1   11    5   35 o   61.264   8.9519 10.09425 17.90379 
1 1 1   11    5   36 o   59.237   8.7452 -34.64264 17.49042 
1 1 1   11    5   37 o   42.001   9.7937 -10.12429 19.58732 
1 1 1   11    6    0 o  384.518   2.8944 0.000000 0.000000 
1 1 1   11    6    1 o  210.461   1.2512 1.283646 2.502485 
1 1 1   11    6    2 o  409.487   2.1732 -0.2124939 4.346300 
1 1 1   11    6    3 o  261.510   1.4634 1.417816 2.926866 
1 1 1   11    6    4 o  332.036   1.7950 0.1018677 3.589961 
1 1 1   11    6    5 o  266.061   1.5014 -1.074799 3.002852 
1 1 1   11    6    6 o  164.113   1.3013 2.393707 2.602566 
1 1 1   11    6    7 o   94.047   1.5592 -3.290840 3.118316 
1 1 1   11    6    8 o  199.960   1.3280 -3.190720 2.656059 
1 1 1   11    6    9 o  339.407   1.8678 -0.6903687 3.735578 
1 1 1   11    6   10 o  297.785   1.8371 -5.493011 3.674129 
1 1 1   11    6   11 o  378.363   2.2323 -1.650818 4.464687 
1 1 1   11    6   12 o  537.977   2.8579 4.173584 5.715866 
1 1 1   11    6   13 f   73.127   3.2036 7.921028 6.407248 
1 1 1   11    6   14 o  162.581   1.8343 -5.543182 3.668650 
1 1 1   11    6   15 o  192.327   1.8692 -6.910767 3.738347 
1 1 1   11    6   16 o  342.584   2.0980 3.002319 4.195936 
1 1 1   11    6   17 o   88.059   3.5921 3.909630 7.184126 
1 1 1   11    6   18 o  201.259   2.4076 -10.12065 4.815182 
1 1 1   11    6   19 o  165.977   3.5638 -2.698868 7.127560 
1 1 1   11    6   20 o  219.196   2.3248 1.895508 4.649612 
1 1 1   11    6   21 o  144.375   3.3219 8.522217 6.643836 
1 1 1   11    6   22 o  140.303   3.6868 -1.057205 7.373658 
1 1 1   11    6   23 o  254.774   2.5313 -1.043716 5.062588 
1 1 1   11    6   24 o  349.190   2.4413 4.228668 4.882683 
1 1 1   11    6   25 o  132.396   3.9662 -8.445984 7.932338 
1 1 1   11    6   26 o   42.890   9.9058 -13.70754 19.81165 
1 1 1   11    6   27 o   32.754   9.4860 -3.805878 18.97200 
1 1 1   11    6   28 o  152.630   3.7085 15.68758 7.417088 
1 1 1   11    6   29 o   99.362   5.2148 3.102867 10.42966 
1 1 1   11    6   30 o   46.832   9.7414 6.890106 19.48285 
1 1 1   11    6   31 o  126.901   4.1554 -3.847229 8.310721 
1 1 1   11    6   32 o   29.194   9.1082 1.040833 18.21635 
1 1 1   11    6   33 o   43.985   9.2713 16.33520 18.54268 
1 1 1   11    6   34 o   80.658   6.3431 4.791687 12.68616 
1 1 1   11    6   35 o   26.968   8.7200 -3.154882 17.44006 
1 1 1   11    6   36 o   50.887   8.5262 33.71291 17.05247 
1 1 1   11    6   37 o   39.624   9.5827 -2.378902 19.16535 
1 1 1   11    7    0 o  193.698   1.6988 0.000000 0.000000 
1 1 1   11    7    1 o  214.476   1.2673 2.337509 2.534507 
1 1 1   11    7    2 o  269.016   1.4968 -2.944153 2.993637 
1 1 1   11    7    3 f  373.602   1.9982 -4.249969 3.996393 
1 1 1   11    7    4 o  204.226   1.2635 0.6195068E-02 2.526989 
1 1 1   11    7    5 o   95.353   1.4704 4.722954 2.940892 
1 1 1   11    7    6 o  396.407   2.3017 10.19235 4.603468 
1 1 1   11    7    7 o  407.207   2.1815 -3.329773 4.363074 
1 1 1   11    7    8 o  368.373   1.9987 -4.306763 3.997368 
1 1 1   11    7    9 o  174.949   1.6225 -4.358551 3.244995 
1 1 1   11    7   10 o  276.773   1.7429 1.963379 3.485894 
1 1 1   11    7   11 o  247.907   1.5465 3.591888 3.093049 
1 1 1   11    7   12 o  303.489   1.7726 -2.263885 3.545289 
1 1 1   11    7   13 o  447.343   2.5078 -4.813843 5.015655 
1 1 1   11    7   14 o  351.327   2.0964 2.669434 4.192826 
1 1 1   11    7   15 o  363.936   2.1688 2.896118 4.337627 
1 1 1   11    7   16 o  394.226   2.3190 -1.230621 4.638057 
1 1 1   11    7   17 o  140.698   2.4950 0.7359314E-01 4.989905 
1 1 1   11    7   18 o  378.362   2.3365 4.663086 4.673044 
1 1 1   11    7   19 o  302.941   2.3286 -2.387909 4.657141 
1 1 1   11    7   20 o  451.857   2.6652 -11.49420 5.330368 
1 1 1   11    7   21 o   44.872   9.6195 1.950275 19.23909 
1 1 1   11    7   22 o  135.066   3.9461 3.695084 7.892261 
1 1 1   11    7   23 o   88.874   5.8333 -13.18549 11.66662 
1 1 1   11    7   24 o  199.488   2.7636 -2.110779 5.527135 
1 1 1   11    7   25 o  296.401   2.4381 9.413361 4.876230 
1 1 1   11    7   26 o  155.662   3.9350 -3.065231 7.870026 
1 1 1   11    7   27 o  177.451   3.4001 6.289902 6.800195 
1 1 1   11    7   28 o   41.746   9.0816 23.26932 18.16316 
1 1 1   11    7   29 o  123.439   4.1342 -3.591942 8.268366 
1 1 1   11    7   30 o   34.500   9.5846 0.1221275 19.16929 
1 1 1   11    7   31 o  109.873   5.0401 -1.607277 10.08017 
1 1 1   11    7   32 o  128.065   4.0792 5.399925 8.158473 
1 1 1   11    7   33 o   78.448   6.5705 -1.806267 13.14106 
1 1 1   11    7   34 o  149.375   3.7710 5.639099 7.541974 
1 1 1   11    7   35 o   92.400   6.3576 -23.28952 12.71525 
1 1 1   11    7   36 o   25.388   8.1956 7.591333 16.39122 
1 1 1   11    7   37 o   60.688   8.1815 0.5513802 16.36305 
1 1 1   11    8    0 o  247.064   1.9918 0.000000 0.000000 
1 1 1   11    8    1 o  191.966   1.2120 0.9881744 2.423934 
1 1 1   11    8    2 o  402.673   2.4746 1.620789 4.949111 
1 1 1   11    8    3 o  437.564   2.6793 0.3911438 5.358649 
1 1 1   11    8    4 f  138.795   1.3197 3.222733 2.639318 
1 1 1   11    8    5 o  429.267   2.2852 -2.573029 4.570429 
1 1 1   11    8    6 o  327.767   1.7945 -1.531067 3.589068 
1 1 1   11    8    7 o  343.757   1.8769 -3.595734 3.753895 
1 1 1   11    8    8 o   83.560   1.8349 -4.363518 3.669850 
1 1 1   11    8    9 o  170.614   1.3661 -2.420471 2.732141 
1 1 1   11    8   10 o  270.838   1.7623 2.332581 3.524693 
1 1 1   11    8   11 o  591.087   3.1279 9.646545 6.255755 
1 1 1   11    8   12 o  178.176   1.7131 2.494156 3.426100 
1 1 1   11    8   13 o  216.930   1.6900 1.716934 3.380053 
1 1 1   11    8   14 o  479.337   2.6889 2.755371 5.377800 
1 1 1   11    8   15 o  105.554   2.8473 -3.507889 5.694504 
1 1 1   11    8   16 o  503.341   2.8285 -2.013641 5.656984 
1 1 1   11    8   17 o  155.791   2.3681 3.461838 4.736147 
1 1 1   11    8   18 o  240.727   4.0205      ?      ? 
1 1 1   11    8   19 o  608.273   3.3933 -6.895508 6.786686 
1 1 1   11    8   20 o  285.992   3.2221 56.18744 6.444216 
1 1 1   11    8   21 o  106.924   4.4541 -13.25219 8.908235 
1 1 1   11    8   22 o  215.221   3.4460 -21.08286 6.892095 
1 1 1   11    8   23 o  277.259   2.4159 3.009216 4.831748 
1 1 1   11    8   24 o   60.962   10.169 -9.161270 20.33859 
1 1 1   11    8   25 o  227.085   2.9131 -4.677109 5.826202 
1 1 1   11    8   26 o  121.861   4.8467 4.391228 9.693439 
1 1 1   11    8   27 o   53.113   9.8885 7.388653 19.77704 
1 1 1   11    8   28 o   91.779   5.5225 1.296570 11.04494 
1 1 1   11    8   29 o   43.153   9.6888 9.061523 19.37764 
1 1 1   11    8   30 o  106.424   4.7601 4.298050 9.520218 
1 1 1   11    8   31 o   29.093   8.8177 -18.79300 17.63541 
1 1 1   11    8   32 o   47.123   9.8692 -9.783291 19.73833 
1 1 1   11    8   33 o   84.647   6.2848 12.86371 12.56950 
1 1 1   11    8   34 o  105.396   5.1663 19.76765 10.33253 
1 1 1   11    8   35 o   71.587   7.4927 -2.103607 14.98535 
1 1 1   11    8   36 o   94.935   5.8647 -0.5355072E-01 11.72938 
1 1 1   11    8   37 f   34.511   9.5907 -16.68001 19.18137 
1 1 1   11    9    0 o   22.831   7.0297 0.000000 0.000000 
1 1 1   11    9    1 o  129.205   1.2056 1.511429 2.411117 
1 1 1   11    9    2 o   47.210   2.5443 1.774231 5.088537 
1 1 1   11    9    3 o  427.207   2.4533 3.567535 4.906569 
1 1 1   11    9    4 o  473.516   2.5081 -3.754333 5.016189 
1 1 1   11    9    5 o  439.479   2.3393 0.3545837 4.678552 
1 1 1   11    9    6 o  119.950   1.5352 -0.7518158 3.070442 
1 1 1   11    9    7 o  270.189   1.6684 6.640778 3.336790 
1 1 1   11    9    8 o  180.940   1.3391 4.007965 2.678220 
1 1 1   11    9    9 o  544.066   2.8854 1.463989 5.770887 
1 1 1   11    9   10 o  475.671   2.7535 1.283905 5.506988 
1 1 1   11    9   11 o  159.905   1.5525 -5.858109 3.105026 
1 1 1   11    9   12 o  130.858   1.9753 0.2182312 3.950680 
1 1 1   11    9   13 o  185.154   1.7734 0.2350616 3.546884 
1 1 1   11    9   14 o  122.479   2.4168 -1.859001 4.833565 
1 1 1   11    9   15 o  521.185   2.9030 -6.489807 5.806069 
1 1 1   11    9   16 o  391.686   2.3213 -2.894379 4.642545 
1 1 1   11    9   17 x  ?   ?       ?      ? 
1 1 1   11    9   18 o  106.779   3.9499 -1.058006 7.899896 
1 1 1   11    9   19 o  147.897   3.0151 8.515594 6.030232 
1 1 1   11    9   20 o  361.562   2.3884 -3.959198 4.776763 
1 1 1   11    9   21 o  297.430   2.5446 -6.424438 5.089123 
1 1 1   11    9   22 o  300.197   2.3615 10.48102 4.723095 
1 1 1   11    9   23 o   66.126   7.6832 -12.37893 15.36647 
1 1 1   11    9   24 f   45.902   10.400 12.78012 20.80007 
1 1 1   11    9   25 o  172.426   3.4247 -5.305786 6.849459 
1 1 1   11    9   26 o  302.984   2.5701 -0.3692627E-02 5.140294 
1 1 1   11    9   27 o   28.140   8.8730 -1.145750 17.74599 
1 1 1   11    9   28 o  101.688   5.0847 -1.973366 10.16935 
1 1 1   11    9   29 o  128.674   3.9301 7.616776 7.860205 
1 1 1   11    9   30 o   37.543   10.254 -1.271923 20.50853 
1 1 1   11    9   31 o   88.721   5.7280 -15.54505 11.45600 
1 1 1   11    9   32 o   57.043   8.6612 -23.66933 17.32234 
1 1 1   11    9   33 o   93.066   5.5501 4.055367 11.10015 
1 1 1   11    9   34 o   64.003   9.1813 -21.37402 18.36267 
1 1 1   11    9   35 o   44.780   10.140 -17.74757 20.28008 
1 1 1   11    9   36 o   43.740   10.008 3.280777 20.01662 
1 1 1   11    9   37 o   23.572   7.9270 -7.097258 15.85408 
1 1 1   11   10    0 o  208.518   1.8131 0.000000 0.000000 
1 1 1   11   10    1 o  219.242   1.4281 5.319000 2.856218 
1 1 1   11   10    2 o  313.047   1.7159 -3.265503 3.431730 
1 1 1   11   10    3 o  345.866   1.8746 -2.615967 3.749186 
1 1 1   11   10    4 o  231.464   1.3834 1.073273 2.766763 
1 1 1   11   10    5 o  284.257   1.9790 -2.955719 3.958085 
1 1 1   11   10    6 o  210.256   1.4564 2.239059 2.912721 
1 1 1   11   10    7 o  256.556   1.5275 -2.517990 3.054925 
1 1 1   11   10    8 f  298.167   1.8581 2.850739 3.716143 
1 1 1   11   10    9 o   63.514   2.5934 6.887512 5.186852 
1 1 1   11   10   10 o  229.112   1.5033 0.4060822 3.006555 
1 1 1   11   10   11 o  126.312   2.2482 -3.337891 4.496484 
1 1 1   11   10   12 o  364.879   2.1380 1.325623 4.276054 
1 1 1   11   10   13 o  250.851   1.8035 5.213608 3.606941 
1 1 1   11   10   14 o  257.731   1.8591 3.096741 3.718269 
1 1 1   11   10   15 o  193.758   1.9788 3.568069 3.957677 
1 1 1   11   10   16 f  564.144   3.1442 0.8371582 6.288401 
1 1 1   11   10   17 o  488.694   3.5314 23.26483 7.062889 
1 1 1   11   10   18 o  338.719   2.2627 1.883423 4.525427 
1 1 1   11   10   19 o  296.017   3.4003      ?      ? 
1 1 1   11   10   20 o  251.435   2.4283 2.981934 4.856514 
1 1 1   11   10   21 o  247.128   4.7462      ?      ? 
1 1 1   11   10   22 o  112.232   4.4754 -13.03168 8.950854 
1 1 1   11   10   23 o  113.081   4.9547 1.100540 9.909312 
1 1 1   11   10   24 o  158.307   4.2203 -0.3094788 8.440627 
1 1 1   11   10   25 o  294.369   2.5229 2.715607 5.045891 
1 1 1   11   10   26 o  184.753   3.1333 0.5768890 6.266556 
1 1 1   11   10   27 o   44.972   10.361 -1.274662 20.72216 
1 1 1   11   10   28 o   49.200   9.5438 -14.45220 19.08765 
1 1 1   11   10   29 o  142.346   3.5911 10.45874 7.182182 
1 1 1   11   10   30 o  147.148   4.4334 32.79327 8.866882 
1 1 1   11   10   31 o   30.538   9.1415 -11.51729 18.28290 
1 1 1   11   10   32 o   33.810   9.5651 13.65210 19.13028 
1 1 1   11   10   33 o   86.315   5.8708 -9.798698 11.74165 
1 1 1   11   10   34 o   71.530   7.2610 -3.613144 14.52191 
1 1 1   11   10   35 o   72.128   8.0150 15.33408 16.03007 
1 1 1   11   10   36 o   74.431   7.2306 15.57317 14.46113 
1 1 1   11   11    0 o  254.356   2.0845 0.000000 0.000000 
1 1 1   11   11    1 o  383.826   2.2251 0.5205078 4.450252 
1 1 1   11   11    2 o  181.822   1.3425 1.671524 2.685026 
1 1 1   11   11    3 o   64.545   2.0603 1.317024 4.120687 
1 1 1   11   11    4 o  604.305   3.4461 3.676331 6.892149 
1 1 1   11   11    5 o  217.013   1.3808 2.933487 2.761566 
1 1 1   11   11    6 o  174.391   1.3238 1.751968 2.647547 
1 1 1   11   11    7 o  288.674   1.6594 -2.322144 3.318818 
1 1 1   11   11    8 o  255.734   1.5504 1.267609 3.100798 
1 1 1   11   11    9 o  207.747   1.5348 4.573776 3.069551 
1 1 1   11   11   10 o  327.427   2.0384 5.946350 4.076699 
1 1 1   11   11   11 f  558.687   3.2180 6.447937 6.436081 
1 1 1   11   11   12 o  625.567   3.4270 -2.277954 6.854080 
1 1 1   11   11   13 o  235.416   1.8106 1.302963 3.621276 
1 1 1   11   11   14 o  295.765   1.9501 3.026855 3.900248 
1 1 1   11   11   15 o  428.509   2.4861 -0.6161499 4.972116 
1 1 1   11   11   16 o  325.887   2.1631 -0.6286316 4.326108 
1 1 1   11   11   17 o  457.722   2.6753 1.883240 5.350644 
1 1 1   11   11   18 o  173.888   3.2361 -0.6336975E-01 6.472264 
1 1 1   11   11   19 o  293.441   2.2802 -0.9143066E-01 4.560452 
1 1 1   11   11   20 o  397.555   2.8153 -11.08786 5.630506 
1 1 1   11   11   21 x  ?   ?       ?      ? 
1 1 1   11   11   22 o  218.276   2.8336 -4.262665 5.667250 
1 1 1   11   11   23 o  250.345   2.7226 -8.975067 5.445289 
1 1 1   11   11   24 o  150.876   3.7241 5.341476 7.448233 
1 1 1   11   11   25 o  206.279   2.9790 -2.021576 5.958038 
1 1 1   11   11   26 o  161.880   3.3601 2.904724 6.720152 
1 1 1   11   11   27 o   36.991   9.8318 2.657440 19.66358 
1 1 1   11   11   28 o  155.833   3.4438 12.54541 6.887576 
1 1 1   11   11   29 o   23.458   7.8577 -5.621353 15.71539 
1 1 1   11   11   30 o  111.205   5.1372 -8.688026 10.27432 
1 1 1   11   11   31 o  139.527   3.7475 2.439331 7.494908 
1 1 1   11   11   32 o   41.194   10.014 -1.531391 20.02887 
1 1 1   11   11   33 o   44.070   9.4238 18.64566 18.84766 
1 1 1   11   11   34 o   80.848   6.5103 4.647308 13.02063 
1 1 1   11   11   35 f   92.077   5.8460 1.947891 11.69195 
1 1 1   11   11   36 o   43.132   9.4180 -23.14748 18.83607 
1 1 1   11   12    0 o   17.736   7.2888 0.000000 0.000000 
1 1 1   11   12    1 o  161.116   1.3986 3.122223 2.797193 
1 1 1   11   12    2 o  626.030   3.2977 -1.180847 6.595422 
1 1 1   11   12    3 o  504.008   2.8840 -8.308746 5.768052 
1 1 1   11   12    4 o  267.436   1.5573 1.844757 3.114550 
1 1 1   11   12    5 o  408.704   2.2057 -3.714478 4.411453 
1 1 1   11   12    6 o  398.478   2.1632 6.727692 4.326313 
1 1 1   11   12    7 o   68.936   2.0685 4.193596 4.137024 
1 1 1   11   12    8 o  442.146   2.3899 5.314819 4.779854 
1 1 1   11   12    9 o   78.355   2.9804 -2.478912 5.960788 
1 1 1   11   12   10 o  126.659   1.9720 7.510147 3.944048 
1 1 1   11   12   11 o  417.984   2.3837 -1.110840 4.767405 
1 1 1   11   12   12 o  471.091   2.6503 2.691559 5.300552 
1 1 1   11   12   13 o  304.912   1.9630 0.8412781 3.925983 
1 1 1   11   12   14 o  255.376   2.2688 -3.226517 4.537661 
1 1 1   11   12   15 x  ?   ?       ?      ? 
1 1 1   11   12   16 o  194.646   2.3376 7.988388 4.675210 
1 1 1   11   12   17 o  323.759   2.2463 -1.810181 4.492657 
1 1 1   11   12   18 o  315.256   2.3023 3.175842 4.604639 
1 1 1   11   12   19 o  288.596   2.6158 -14.50677 5.231658 
1 1 1   11   12   20 o  311.203   2.9376 5.934814 5.875194 
1 1 1   11   12   21 o   49.710   8.5680 -22.15436 17.13596 
1 1 1   11   12   22 o  142.290   3.9546 9.525818 7.909196 
1 1 1   11   12   23 o   29.542   9.2326 -3.721607 18.46529 
1 1 1   11   12   24 o  263.873   2.5403 2.336212 5.080581 
1 1 1   11   12   25 o  104.490   5.9918 13.44789 11.98363 
1 1 1   11   12   26 o  112.241   4.5541 4.976151 9.108177 
1 1 1   11   12   27 o  110.831   4.5613 -2.723389 9.122607 
1 1 1   11   12   28 o   64.415   8.7344 -12.70735 17.46878 
1 1 1   11   12   29 o  208.892   2.7391 -8.642639 5.478189 
1 1 1   11   12   30 o   41.767   8.8202 -34.00703 17.64035 
1 1 1   11   12   31 o   32.967   9.4414 3.998812 18.88284 
1 1 1   11   12   32 o   60.717   9.1770 36.60529 18.35393 
1 1 1   11   12   33 o   74.796   6.8770 -13.33749 13.75393 
1 1 1   11   12   34 o   64.893   8.0665 -15.55606 16.13299 
1 1 1   11   12   35 o   30.726   9.1318 -12.13167 18.26363 
1 1 1   11   12   36 f   17.850   6.3565 -3.534817 12.71309 
1 1 1   11   13    0 o   23.925   8.0021 0.000000 0.000000 
1 1 1   11   13    1 o  286.950   1.6456 -0.9466553 3.291121 
1 1 1   11   13    2 f  284.876   1.6348 -3.676331 3.269542 
1 1 1   11   13    3 o  105.091   1.6004 -0.7125244 3.200710 
1 1 1   11   13    4 o  192.989   1.3652 -6.410995 2.730337 
1 1 1   11   13    5 o  226.772   1.4601 -4.076294 2.920108 
1 1 1   11   13    6 o  178.643   1.9681 -7.972717 3.936140 
1 1 1   11   13    7 o  644.407   3.9314 -4.328796 7.862837 
1 1 1   11   13    8 o  459.814   2.8799 0.4808350 5.759707 
1 1 1   11   13    9 o  355.904   2.3514 -0.4904785 4.702795 
1 1 1   11   13   10 o   20.867   6.3963 -4.240221 12.79259 
1 1 1   11   13   11 o  310.712   1.9527 3.160339 3.905303 
1 1 1   11   13   12 o  314.443   1.9840 -3.053711 3.967987 
1 1 1   11   13   13 o  401.436   2.3491 2.161621 4.698206 
1 1 1   11   13   14 o   69.305   4.8988 11.57687 9.797629 
1 1 1   11   13   15 o   19.032   6.4340 -2.708578 12.86808 
1 1 1   11   13   16 o  104.425   3.8039 -9.650444 7.607715 
1 1 1   11   13   17 o  257.822   2.8455 42.74054 5.690905 
1 1 1   11   13   18 o   41.641   9.0920 1.800678 18.18396 
1 1 1   11   13   19 o  321.127   2.8716 20.51392 5.743227 
1 1 1   11   13   20 o  225.333   2.4764 -2.056122 4.952894 
1 1 1   11   13   21 o  306.238   2.5503 1.119293 5.100500 
1 1 1   11   13   22 o  314.601   2.6015 3.524689 5.202986 
1 1 1   11   13   23 o   49.434   9.5378 20.50265 19.07561 
1 1 1   11   13   24 o  222.484   2.7082 6.744598 5.416420 
1 1 1   11   13   25 o  111.410   4.6269 -9.428635 9.253787 
1 1 1   11   13   26 o  121.553   4.5441 -9.640564 9.088114 
1 1 1   11   13   27 o  194.905   2.8512 4.141891 5.702381 
1 1 1   11   13   28 o  218.660   2.6168 -0.4585114 5.233628 
1 1 1   11   13   29 o  151.249   6.9351      ?      ? 
1 1 1   11   13   30 o   24.157   8.0011 -4.356947 16.00216 
1 1 1   11   13   31 o   46.645   9.4906 -16.01267 18.98122 
1 1 1   11   13   32 o  104.688   5.5446 -4.440773 11.08919 
1 1 1   11   13   33 o   37.788   9.7483 -10.13456 19.49661 
1 1 1   11   13   34 o   48.860   9.8361 -9.923176 19.67221 
1 1 1   11   13   35 o   74.803   6.3202 -11.87428 12.64038 
1 1 1   11   14    0 o   12.428   6.0190 0.000000 0.000000 
1 1 1   11   14    1 o  120.026   1.7985 -4.069954 3.597006 
1 1 1   11   14    2 o  393.404   2.1343 1.529083 4.268543 
1 1 1   11   14    3 o  233.301   1.4905 -3.220169 2.980956 
1 1 1   11   14    4 o   86.949   1.9829 1.460854 3.965714 
1 1 1   11   14    5 o  303.063   2.0754 -3.279724 4.150860 
1 1 1   11   14    6 o  357.760   2.3456 2.244537 4.691151 
1 1 1   11   14    7 o  523.774   3.6143 -4.909058 7.228627 
1 1 1   11   14    8 o  180.732   2.0573 -2.469162 4.114695 
1 1 1   11   14    9 o  333.214   2.2762 -6.833221 4.552469 
1 1 1   11   14   10 f  512.107   3.1925 -4.867706 6.384900 
1 1 1   11   14   11 f  113.680   3.0104 1.777832 6.020793 
1 1 1   11   14   12 o  641.379   3.5310 -3.375793 7.062003 
1 1 1   11   14   13 o  407.017   2.4201 1.860779 4.840232 
1 1 1   11   14   14 o  216.936   2.4542 -18.69905 4.908440 
1 1 1   11   14   15 o  277.302   2.2170 2.431519 4.434075 
1 1 1   11   14   16 o  366.311   2.9110 -11.20438 5.822088 
1 1 1   11   14   17 o  174.185   2.7791 -2.951279 5.558184 
1 1 1   11   14   18 o  257.315   2.3014 3.211777 4.602726 
1 1 1   11   14   19 o  334.554   2.3837 6.753357 4.767329 
1 1 1   11   14   20 o  108.226   4.3525 -10.75733 8.705043 
1 1 1   11   14   21 o  527.321   3.4133 -5.123962 6.826566 
1 1 1   11   14   22 o   80.276   6.6371 20.58067 13.27425 
1 1 1   11   14   23 o  218.822   2.6903 3.305267 5.380556 
1 1 1   11   14   24 o   35.456   9.7319 1.046413 19.46381 
1 1 1   11   14   25 o   97.864   5.0952 1.899048 10.19038 
1 1 1   11   14   26 o   41.460   9.4296 16.42978 18.85916 
1 1 1   11   14   27 o  162.180   3.1262 4.193329 6.252407 
1 1 1   11   14   28 o   41.249   8.7805 -27.99219 17.56100 
1 1 1   11   14   29 o   98.391   4.8507 5.120049 9.701393 
1 1 1   11   14   30 o   73.206   7.2189 -3.241203 14.43772 
1 1 1   11   14   31 o   73.402   7.3406 26.33218 14.68113 
1 1 1   11   14   32 o   43.757   9.5619 -16.81956 19.12385 
1 1 1   11   14   33 o   80.103   6.3094 6.519211 12.61881 
1 1 1   11   14   34 o   90.500   5.6680 -1.725540 11.33595 
1 1 1   11   14   35 o   51.881   9.9120 -3.995674 19.82402 
1 1 1   11   15    0 o   87.363   3.5413 0.000000 0.000000 
1 1 1   11   15    1 o  324.813   1.8485 3.125427 3.697002 
1 1 1   11   15    2 o  128.665   1.7111 -4.027557 3.422182 
1 1 1   11   15    3 o   67.617   5.2788 37.16175 10.55756 
1 1 1   11   15    4 o   59.878   3.5013 6.689877 7.002697 
1 1 1   11   15    5 o  489.403   3.0427 0.5760193 6.085402 
1 1 1   11   15    6 o  243.586   1.9857 4.468353 3.971310 
1 1 1   11   15    7 o  780.952   4.7502 -1.890076 9.500396 
1 1 1   11   15    8 o  408.284   2.9218 -6.502533 5.843667 
1 1 1   11   15    9 o  484.616   3.0469 8.343658 6.093853 
1 1 1   11   15   10 o  421.208   3.3004 2.171906 6.600811 
1 1 1   11   15   11 o  150.812   2.6136 -1.268661 5.227162 
1 1 1   11   15   12 o  295.759   2.3251 -3.010223 4.650166 
1 1 1   11   15   13 o  244.545   2.0929 2.976151 4.185751 
1 1 1   11   15   14 o  294.398   2.1005 -0.7336731 4.201072 
1 1 1   11   15   15 o  330.422   2.7871 35.14828 5.574214 
1 1 1   11   15   16 o  244.896   2.1848 3.382629 4.369699 
1 1 1   11   15   17 o  192.590   2.4936 6.148163 4.987153 
1 1 1   11   15   18 o  281.967   2.2976 0.2644958 4.595229 
1 1 1   11   15   19 o   61.314   7.6299 -13.09605 15.25984 
1 1 1   11   15   20 o  313.021   2.4814 4.122131 4.962862 
1 1 1   11   15   21 f  165.630   3.2091 3.381699 6.418104 
1 1 1   11   15   22 o  255.497   2.5129 16.57127 5.025801 
1 1 1   11   15   23 o  200.825   2.7784 7.254181 5.556717 
1 1 1   11   15   24 o  157.276   3.2026 -2.967911 6.405140 
1 1 1   11   15   25 o   91.130   5.1687 -1.402107 10.33733 
1 1 1   11   15   26 o  145.496   3.2350 -9.000992 6.470003 
1 1 1   11   15   27 o   29.608   8.9056 -1.999033 17.81128 
1 1 1   11   15   28 o  107.642   5.9604      ?      ? 
1 1 1   11   15   29 o   81.657   5.8596 8.160744 11.71912 
1 1 1   11   15   30 o   33.786   8.1820 25.09433 16.36406 
1 1 1   11   15   31 o   24.148   7.9153 -0.4245567 15.83062 
1 1 1   11   15   32 o   84.401   5.7887 4.299583 11.57738 
1 1 1   11   15   33 f   58.576   8.8848 -1.379944 17.76969 
1 1 1   11   15   34 o   34.090   9.5168 -15.45185 19.03362 
1 1 1   11   16    0 o  253.789   2.3785 0.000000 0.000000 
1 1 1   11   16    1 o   70.270   4.1901 -1.078781 8.380285 
1 1 1   11   16    2 o   72.351   4.0992 -21.01406 8.198336 
1 1 1   11   16    3 o  477.539   2.5789 1.788971 5.157885 
1 1 1   11   16    4 o  182.715   2.2148 22.89473 4.429615 
1 1 1   11   16    5 o  224.190   2.2333 5.019470 4.466681 
1 1 1   11   16    6 o  359.514   2.4031 0.6472168 4.806218 
1 1 1   11   16    7 o  265.518   2.0996 -2.424988 4.199171 
1 1 1   11   16    8 o  246.240   2.1332 3.987106 4.266498 
1 1 1   11   16    9 o  274.033   2.6005 -12.90543 5.200929 
1 1 1   11   16   10 o  171.258   2.7368 4.305161 5.473610 
1 1 1   11   16   11 o  243.374   2.7923 -5.035370 5.584558 
1 1 1   11   16   12 o  302.496   2.5826 3.641510 5.165141 
1 1 1   11   16   13 o  204.440   2.5295 -0.8392029 5.059005 
1 1 1   11   16   14 o  291.483   3.9529      ?      ? 
1 1 1   11   16   15 o  178.598   2.4351 4.052780 4.870102 
1 1 1   11   16   16 o  294.839   2.2176 5.796570 4.435222 
1 1 1   11   16   17 o  110.227   3.9066 4.347954 7.813198 
1 1 1   11   16   18 o   29.302   8.4059 19.86120 16.81183 
1 1 1   11   16   19 o  157.757   2.9152 2.490814 5.830354 
1 1 1   11   16   20 o  104.004   4.6344 10.14281 9.268757 
1 1 1   11   16   21 o  288.872   2.2826 0.7138672 4.565155 
1 1 1   11   16   22 o  169.652   3.1115 13.88751 6.223049 
1 1 1   11   16   23 f  182.417   2.8825 -4.867584 5.765003 
1 1 1   11   16   24 o   68.740   6.6534 -10.17515 13.30685 
1 1 1   11   16   25 o   95.889   4.8956 -11.10076 9.791130 
1 1 1   11   16   26 o  127.942   4.2177 20.04170 8.435359 
1 1 1   11   16   27 o   36.910   9.9623 -27.98922 19.92455 
1 1 1   11   16   28 o   55.479   8.6446 -13.41998 17.28920 
1 1 1   11   16   29 o   80.160   5.8628 1.656738 11.72559 
1 1 1   11   16   30 o   53.616   8.8704 -3.923321 17.74078 
1 1 1   11   16   31 o   42.431   9.6318 -8.486500 19.26360 
1 1 1   11   16   32 o   90.624   5.6942 12.29869 11.38832 
1 1 1   11   16   33 o   26.498   8.5675 -6.945671 17.13510 
1 1 1   11   16   34 o   34.924   8.7300 14.11539 17.45995 
1 1 1   11   17    0 o  387.477   3.0705 0.000000 0.000000 
1 1 1   11   17    1 o  168.283   1.7543 -7.166962 3.508550 
1 1 1   11   17    2 o  284.497   1.7846 -2.053894 3.569204 
1 1 1   11   17    3 o  517.928   2.7877 -2.293762 5.575461 
1 1 1   11   17    4 o  113.732   2.2190 9.267952 4.438027 
1 1 1   11   17    5 o   86.848   3.7428 6.774605 7.485607 
1 1 1   11   17    6 o  438.969   2.8069 0.6310120 5.613848 
1 1 1   11   17    7 o  494.806   3.1226 5.346832 6.245151 
1 1 1   11   17    8 o  525.183   3.3055 -5.813843 6.611068 
1 1 1   11   17    9 o  556.773   3.4859 -6.802979 6.971798 
1 1 1   11   17   10 o  360.330   2.5542 2.792877 5.108396 
1 1 1   11   17   11 o  102.542   4.1261 -15.52129 8.252288 
1 1 1   11   17   12 o  186.500   3.4878 -19.84380 6.975591 
1 1 1   11   17   13 o  181.264   3.0331 0.9523010E-01 6.066268 
1 1 1   11   17   14 o  138.630   3.4243 -5.849319 6.848606 
1 1 1   11   17   15 f  300.031   2.2470 -2.214325 4.493930 
1 1 1   11   17   16 o  248.746   2.4313 -1.838776 4.862700 
1 1 1   11   17   17 o   83.832   4.8969 1.157196 9.793728 
1 1 1   11   17   18 o  154.531   2.9800 4.095306 5.959922 
1 1 1   11   17   19 o  306.120   2.4417 6.851807 4.883408 
1 1 1   11   17   20 o   35.609   9.4304 9.760452 18.86085 
1 1 1   11   17   21 o  137.842   3.3718 4.563385 6.743597 
1 1 1   11   17   22 o  152.139   3.1917 -2.595306 6.383400 
1 1 1   11   17   23 o  111.080   4.0102 -4.014030 8.020342 
1 1 1   11   17   24 o  143.284   3.5512 11.03058 7.102355 
1 1 1   11   17   25 o   91.527   4.8213 4.824387 9.642544 
1 1 1   11   17   26 o  114.292   3.9670 -14.42892 7.933994 
1 1 1   11   17   27 o   33.672   8.8840 -21.29025 17.76797 
1 1 1   11   17   28 o   88.855   5.3062 19.02003 10.61248 
1 1 1   11   17   29 o   74.090   6.4484 -2.457909 12.89687 
1 1 1   11   17   30 o   29.156   8.8579 1.344795 17.71584 
1 1 1   11   17   31 o  105.320   4.7985 9.516891 9.596974 
1 1 1   11   17   32 o   36.551   9.9164 -3.436996 19.83288 
1 1 1   11   17   33 o   27.879   8.7784 -5.239655 17.55677 
1 1 1   11   18    0 o  416.269   3.2713 0.000000 0.000000 
1 1 1   11   18    1 o  302.977   2.0323 6.449463 4.064573 
1 1 1   11   18    2 o   90.190   3.1142 8.403526 6.228440 
1 1 1   11   18    3 o  543.063   2.9232 -7.424377 5.846310 
1 1 1   11   18    4 o  321.287   2.0278 0.5689697 4.055634 
1 1 1   11   18    5 o  564.518   3.5103 -5.666992 7.020523 
1 1 1   11   18    6 x  ?   ?       ?      ? 
1 1 1   11   18    7 o  663.667   4.0889 6.161255 8.177747 
1 1 1   11   18    8 o  593.740   3.6975 -0.6003418 7.394949 
1 1 1   11   18    9 o  167.934   2.9910 1.463730 5.981917 
1 1 1   11   18   10 o  273.472   2.7058 -1.781372 5.411617 
1 1 1   11   18   11 o  435.526   5.1586      ?      ? 
1 1 1   11   18   12 o  353.286   2.6173 -1.231232 5.234662 
1 1 1   11   18   13 o  217.795   2.5617 -6.246216 5.123412 
1 1 1   11   18   14 o  210.585   3.1276 5.690628 6.255189 
1 1 1   11   18   15 o  215.007   2.4332 5.055054 4.866374 
1 1 1   11   18   16 f  307.393   2.2537 -1.802673 4.507444 
1 1 1   11   18   17 o  295.282   2.5969 -0.2571411 5.193767 
1 1 1   11   18   18 f  120.197   3.5361 7.898193 7.072184 
1 1 1   11   18   19 o   59.407   7.5533 -0.4153900 15.10670 
1 1 1   11   18   20 o  142.176   3.1787 3.354904 6.357497 
1 1 1   11   18   21 o   24.885   7.9336 -2.150393 15.86714 
1 1 1   11   18   22 o   89.038   4.9614 1.835793 9.922891 
1 1 1   11   18   23 o  162.096   2.9119 8.516113 5.823724 
1 1 1   11   18   24 o   78.772   5.6031 19.19511 11.20612 
1 1 1   11   18   25 o   59.981   7.5783 10.05873 15.15669 
1 1 1   11   18   26 o   98.725   5.4194 32.51358 10.83875 
1 1 1   11   18   27 o   34.470   8.9814 14.88761 17.96280 
1 1 1   11   18   28 o   52.675   9.8766 0.5199776 19.75324 
1 1 1   11   18   29 f   33.974   9.3486 -1.047657 18.69726 
1 1 1   11   18   30 o   67.119   6.8591 -14.14808 13.71815 
1 1 1   11   18   31 o   82.074   6.0587 -3.131538 12.11739 
1 1 1   11   18   32 o   57.232   8.8339 8.688133 17.66781 
1 1 1   11   18   33 o   37.075   13.727      ?      ? 
1 1 1   11   19    0 o  225.042   3.2218 0.000000 0.000000 
1 1 1   11   19    1 x  ?   ?       ?      ? 
1 1 1   11   19    2 o  435.383   2.6350 2.326721 5.270082 
1 1 1   11   19    3 o  495.769   3.1338 25.54187 6.267551 
1 1 1   11   19    4 o  511.218   3.6222 -19.46640 7.244339 
1 1 1   11   19    5 o  384.077   2.6365 -5.431519 5.272935 
1 1 1   11   19    6 o  103.049   5.4151 15.97142 10.83011 
1 1 1   11   19    7 f  405.628   3.0264 -0.7012024 6.052702 
1 1 1   11   19    8 o  309.344   2.4860 6.465759 4.972017 
1 1 1   11   19    9 o  242.711   4.6558      ?      ? 
1 1 1   11   19   10 o  257.743   2.5332 5.217255 5.066402 
1 1 1   11   19   11 o  372.672   2.9787 -8.173920 5.957313 
1 1 1   11   19   12 o  392.434   3.0706 3.241364 6.141115 
1 1 1   11   19   13 o  175.914   4.0395 27.29620 8.079030 
1 1 1   11   19   14 o  244.759   3.1445 -7.454895 6.289056 
1 1 1   11   19   15 o  122.182   4.2003 -1.406479 8.400697 
1 1 1   11   19   16 o  121.146   3.4841 -1.962013 6.968189 
1 1 1   11   19   17 o  146.807   2.8217 5.066010 5.643388 
1 1 1   11   19   18 o  106.946   3.8646 -0.7731171 7.729237 
1 1 1   11   19   19 o  284.454   2.5687 8.938507 5.137496 
1 1 1   11   19   20 o  185.688   2.5633 0.8679199E-01 5.126568 
1 1 1   11   19   21 o  187.559   2.4667 3.752914 4.933486 
1 1 1   11   19   22 o  102.184   4.1818 4.403397 8.363665 
1 1 1   11   19   23 o  134.701   3.2414 -3.808334 6.482872 
1 1 1   11   19   24 o  129.127   3.3935 -13.37013 6.786971 
1 1 1   11   19   25 o   72.056   7.0588 33.72863 14.11756 
1 1 1   11   19   26 o  147.129   3.2313 -1.337463 6.462550 
1 1 1   11   19   27 o   63.080   7.2409 19.86671 14.48173 
1 1 1   11   19   28 o   97.417   4.5669 2.358681 9.133894 
1 1 1   11   19   29 o   21.315   7.2532 -2.984713 14.50632 
1 1 1   11   19   30 o   94.666   5.1663 -8.552483 10.33252 
1 1 1   11   19   31 o   57.238   8.8377 5.391842 17.67532 
1 1 1   11   19   32 o   42.938   8.6023 17.11801 17.20467 
1 1 1   11   20    0 o  202.697   3.5908 0.000000 0.000000 
1 1 1   11   20    1 o  159.002   3.0671 -16.76138 6.134212 
1 1 1   11   20    2 o  293.204   2.0588 -1.902832 4.117659 
1 1 1   11   20    3 o   55.146   6.7961 -50.32152 13.59214 
1 1 1   11   20    4 o  246.049   2.1399 -9.675644 4.279894 
1 1 1   11   20    5 o  371.529   2.6333 -6.168701 5.266682 
1 1 1   11   20    6 o  320.453   2.8759 21.81256 5.751775 
1 1 1   11   20    7 x  ?   ?       ?      ? 
1 1 1   11   20    8 o   90.848   5.4839 -10.55640 10.96776 
1 1 1   11   20    9 o  112.963   4.0460 0.7670441 8.091907 
1 1 1   11   20   10 o  165.670   3.0454 3.316162 6.090856 
1 1 1   11   20   11 o  463.060   3.0726 0.8552551 6.145183 
1 1 1   11   20   12 o   26.782   8.7551 -5.170330 17.51011 
1 1 1   11   20   13 o  213.194   2.6806 7.733383 5.361149 
1 1 1   11   20   14 o  141.863   3.6351 -9.125671 7.270288 
1 1 1   11   20   15 o  246.776   2.6556 3.780472 5.311133 
1 1 1   11   20   16 o  237.507   2.6518 5.049774 5.303648 
1 1 1   11   20   17 o  363.702   2.3989 -8.799469 4.797796 
1 1 1   11   20   18 o  215.294   2.4898 0.3586121 4.979694 
1 1 1   11   20   19 o  109.144   4.0318 -0.7206802 8.063559 
1 1 1   11   20   20 o  330.799   2.2308 10.72177 4.461614 
1 1 1   11   20   21 o  113.275   3.5774 -9.819130 7.154704 
1 1 1   11   20   22 o   40.946   9.1197 3.355480 18.23947 
1 1 1   11   20   23 o  143.154   3.0123 5.369110 6.024588 
1 1 1   11   20   24 o   37.204   9.0802 -12.25516 18.16032 
1 1 1   11   20   25 o   52.364   8.1233 -20.68036 16.24665 
1 1 1   11   20   26 o   63.366   7.2814 17.37312 14.56285 
1 1 1   11   20   27 o   42.979   9.1514 -14.08143 18.30287 
1 1 1   11   20   28 o   25.596   8.1552 -3.520578 16.31034 
1 1 1   11   20   29 o   54.850   8.6514 6.912449 17.30273 
1 1 1   11   20   30 o   37.428   9.0746 16.13169 18.14923 
1 1 1   11   20   31 o   34.896   8.9886 8.255671 17.97728 
1 1 1   11   20   32 o   20.851   7.0793 -9.880313 14.15855 
1 1 1   11   21    0 o  504.062   4.7898 0.000000 0.000000 
1 1 1   11   21    1 o  200.859   3.7597      ?      ? 
1 1 1   11   21    2 o  161.381   3.1289 10.54210 6.257885 
1 1 1   11   21    3 o   38.823   8.8019 8.321419 17.60378 
1 1 1   11   21    4 o  148.860   3.2782 -16.92831 6.556471 
1 1 1   11   21    5 x  ?   ?       ?      ? 
1 1 1   11   21    6 o  245.024   2.6916 1.096817 5.383207 
1 1 1   11   21    7 o  116.529   4.1268 -0.6889648 8.253534 
1 1 1   11   21    8 o  127.968   3.9133 -11.08287 7.826575 
1 1 1   11   21    9 x  ?   ?       ?      ? 
1 1 1   11   21   10 o  275.969   2.9436 -5.417816 5.887278 
1 1 1   11   21   11 o   90.525   5.4197 -7.516907 10.83936 
1 1 1   11   21   12 o   64.443   7.1677 -0.8888245E-02 14.33532 
1 1 1   11   21   13 o  138.500   3.7534 -15.74484 7.506799 
1 1 1   11   21   14 f  253.667   2.5890 -0.9476166 5.178042 
1 1 1   11   21   15 o   84.572   5.8358 -0.9034729E-01 11.67155 
1 1 1   11   21   16 o  239.682   3.2115 1.387009 6.423016 
1 1 1   11   21   17 o   65.705   6.9068 -15.54396 13.81363 
1 1 1   11   21   18 o   27.310   8.1831 7.457424 16.36616 
1 1 1   11   21   19 f   81.026   4.5707 -4.223442 9.141465 
1 1 1   11   21   20 o  110.452   3.4215 6.171104 6.842916 
1 1 1   11   21   21 o  168.792   2.5146 5.219910 5.029232 
1 1 1   11   21   22 o   17.495   6.0717 2.258104 12.14339 
1 1 1   11   21   23 o   27.278   7.7032 -19.18370 15.40642 
1 1 1   11   21   24 o  145.920   3.2166 2.129425 6.433105 
1 1 1   11   21   25 o   33.175   8.8439 8.133759 17.68789 
1 1 1   11   21   26 o   28.668   8.5355 0.1854210 17.07092 
1 1 1   11   21   27 o  138.574   3.3049 7.467346 6.609713 
1 1 1   11   21   28 o   87.241   5.1761 -20.37334 10.35212 
1 1 1   11   21   29 o   94.009   5.0929 -8.355843 10.18571 
1 1 1   11   21   30 o   48.359   9.1865 7.017868 18.37308 
1 1 1   11   21   31 o   62.695   6.6908 -13.17823 13.38160 
1 1 1   11   22    0 o   17.941   8.8796 0.000000 0.000000 
1 1 1   11   22    1 o   43.702   7.5564 25.09761 15.11286 
1 1 1   11   22    2 o  124.802   3.0560 -8.202766 6.112048 
1 1 1   11   22    3 o  128.236   3.0708 -7.438850 6.141615 
1 1 1   11   22    4 o  273.541   2.4931 -11.29678 4.986221 
1 1 1   11   22    5 o  396.370   2.7750 -12.30432 5.549929 
1 1 1   11   22    6 o  263.721   3.1502 26.92902 6.300485 
1 1 1   11   22    7 o  172.199   3.3354 4.529800 6.670715 
1 1 1   11   22    8 o   58.937   9.8475 11.48597 19.69504 
1 1 1   11   22    9 o   74.430   6.2081 -12.19995 12.41628 
1 1 1   11   22   10 o   95.297   5.2134 18.93136 10.42672 
1 1 1   11   22   11 o  291.287   2.6902 -5.935120 5.380448 
1 1 1   11   22   12 o  132.316   3.7543 -3.837738 7.508518 
1 1 1   11   22   13 o  140.620   3.6036 1.879913 7.207139 
1 1 1   11   22   14 o  105.011   5.9081 2.520004 11.81629 
1 1 1   11   22   15 o   82.406   5.7264 -2.136917 11.45276 
1 1 1   11   22   16 o   83.285   5.8868 -17.13772 11.77369 
1 1 1   11   22   17 o   63.456   7.5990 2.152496 15.19808 
1 1 1   11   22   18 o   54.524   6.6994 36.83605 13.39873 
1 1 1   11   22   19 o   72.712   4.9058 31.69675 9.811550 
1 1 1   11   22   20 o  113.579   3.3077 -0.9869232 6.615468 
1 1 1   11   22   21 o   18.767   6.5416 2.531538 13.08330 
1 1 1   11   22   22 o  116.748   3.3930 -4.152603 6.785923 
1 1 1   11   22   23 o   75.198   5.3190 -5.304184 10.63798 
1 1 1   11   22   24 o   33.276   8.5834 -12.22756 17.16674 
1 1 1   11   22   25 o  182.907   2.6961 5.479828 5.392209 
1 1 1   11   22   26 o  138.213   3.1980 -8.370468 6.396017 
1 1 1   11   22   27 o   70.144   6.1205 -9.166008 12.24106 
1 1 1   11   22   28 o   32.463   8.8577 -11.01370 17.71538 
1 1 1   11   22   29 o   40.708   9.5440 -1.064449 19.08792 
1 1 1   11   22   30 o  129.621   3.5269 -35.67914 7.053898 
1 1 1   11   23    0 o   49.055   9.5193 0.000000 0.000000 
1 1 1   11   23    1 f  179.330   2.5281 13.18822 5.056271 
1 1 1   11   23    2 o  174.623   2.5659 -4.301376 5.131882 
1 1 1   11   23    3 f   66.358   8.5658 30.64173 17.13160 
1 1 1   11   23    4 o  260.627   2.2042 -2.316528 4.408453 
1 1 1   11   23    5 o  171.298   2.4395 -4.220764 4.878979 
1 1 1   11   23    6 o   61.245   9.2392 -26.18533 18.47849 
1 1 1   11   23    7 f  199.043   2.9413 5.138321 5.882681 
1 1 1   11   23    8 o  228.944   2.5325 0.9350433 5.064981 
1 1 1   11   23    9 o   64.893   8.2657 42.58229 16.53141 
1 1 1   11   23   10 o   57.155   8.3151 15.76891 16.63029 
1 1 1   11   23   11 o  184.264   2.9268 3.275986 5.853584 
1 1 1   11   23   12 o  156.469   4.0529 -0.8115540 8.105707 
1 1 1   11   23   13 o   40.702   9.5437 -13.24389 19.08741 
1 1 1   11   23   14 o  196.977   2.7889 0.9022675 5.577835 
1 1 1   11   23   15 o   28.273   8.7391 -1.799522 17.47824 
1 1 1   11   23   16 o  143.133   3.4645 0.3968811 6.928960 
1 1 1   11   23   17 o  127.534   3.6936 1.573349 7.387167 
1 1 1   11   23   18 f   41.421   9.5065 -3.550434 19.01306 
1 1 1   11   23   19 f   98.450   3.4970 0.9497833 6.994003 
1 1 1   11   23   20 o  154.514   2.4637 2.028412 4.927378 
1 1 1   11   23   21 o  136.167   2.8757 9.203476 5.751466 
1 1 1   11   23   22 o  108.875   3.5526 1.154068 7.105234 
1 1 1   11   23   23 o   75.220   5.2612 -16.72936 10.52243 
1 1 1   11   23   24 o  142.602   3.1060 -9.434448 6.212069 
1 1 1   11   23   25 o   26.996   8.2638 -7.587772 16.52763 
1 1 1   11   23   26 o   48.950   8.4258 10.01337 16.85151 
1 1 1   11   23   27 o   54.318   7.5078 41.00729 15.01563 
1 1 1   11   23   28 o   54.922   7.8313 -20.92143 15.66253 
1 1 1   11   23   29 o  116.439   3.9632 -26.09060 7.926342 
1 1 1   11   24    0 o   63.496   9.8605 0.000000 0.000000 
1 1 1   11   24    1 o   85.128   4.3198 -10.89510 8.639689 
1 1 1   11   24    2 o   49.677   7.6323 3.799706 15.26459 
1 1 1   11   24    3 o  242.907   2.1453 -1.009933 4.290667 
1 1 1   11   24    4 o  206.845   2.2513 -6.158310 4.502679 
1 1 1   11   24    5 o  252.530   2.1979 -2.010056 4.395758 
1 1 1   11   24    6 o  140.685   3.4362 1.501328 6.872424 
1 1 1   11   24    7 o  194.638   2.7564 2.178955 5.512749 
1 1 1   11   24    8 o   75.566   6.5766 15.09677 13.15315 
1 1 1   11   24    9 o  166.946   3.0884 7.734421 6.176730 
1 1 1   11   24   10 o  170.120   3.6701 -8.924850 7.340197 
1 1 1   11   24   11 o  181.341   2.9885 -2.150131 5.976940 
1 1 1   11   24   12 o  121.536   3.8742 6.872307 7.748471 
1 1 1   11   24   13 o  121.591   3.9286 -5.237946 7.857199 
1 1 1   11   24   14 o   73.741   6.4392 8.446060 12.87847 
1 1 1   11   24   15 o   28.833   8.5024 -11.79347 17.00481 
1 1 1   11   24   16 o  133.980   3.5255 1.907288 7.051027 
1 1 1   11   24   17 o  219.370   2.5782 3.649796 5.156301 
1 1 1   11   24   18 o   31.967   9.1102 0.2382507 18.22045 
1 1 1   11   24   19 o  127.052   2.7152 8.002930 5.430404 
1 1 1   11   24   20 o  116.929   3.2307 16.23563 6.461328 
1 1 1   11   24   21 o   92.296   3.9786 -5.711090 7.957191 
1 1 1   11   24   22 o   63.964   5.7643 -0.9348679 11.52854 
1 1 1   11   24   23 o   54.540   7.2331 31.00158 14.46626 
1 1 1   11   24   24 o   36.114   8.4992 -13.74066 16.99848 
1 1 1   11   24   25 o  127.704   3.2703 6.115654 6.540642 
1 1 1   11   24   26 o   49.629   8.4130 11.62404 16.82609 
1 1 1   11   24   27 o   26.984   8.2046 -5.445581 16.40911 
1 1 1   11   24   28 o   80.483   5.5117 -12.04716 11.02332 
1 1 1   11   24   29 x  ?   ?       ?      ? 
1 1 1   11   25    0 o   37.030   12.335 0.000000 0.000000 
1 1 1   11   25    1 o   99.018   3.7125 -7.062271 7.425076 
1 1 1   11   25    2 o  151.365   2.5997 2.734619 5.199483 
1 1 1   11   25    3 o  119.670   3.1263 -6.723297 6.252639 
1 1 1   11   25    4 o  201.854   2.1114 -2.363174 4.222775 
1 1 1   11   25    5 o  190.520   2.3536 -3.892975 4.707179 
1 1 1   11   25    6 o  120.423   4.0948 -13.41850 8.189692 
1 1 1   11   25    7 o  121.365   3.9803 -0.1897125 7.960663 
1 1 1   11   25    8 o   65.939   8.7584 3.110954 17.51678 
1 1 1   11   25    9 o  150.834   3.3306 -3.419907 6.661229 
1 1 1   11   25   10 o  280.759   2.5706 -1.079071 5.141208 
1 1 1   11   25   11 o   26.656   8.2812 -4.133120 16.56248 
1 1 1   11   25   12 o   49.562   9.0694 14.61117 18.13889 
1 1 1   11   25   13 o   74.817   6.0007 0.7125015 12.00133 
1 1 1   11   25   14 o  135.969   3.3834 5.831650 6.766867 
1 1 1   11   25   15 o   70.611   6.0843 -9.913902 12.16864 
1 1 1   11   25   16 o   69.872   6.2039 11.82942 12.40788 
1 1 1   11   25   17 o   61.061   7.3294 -10.17106 14.65877 
1 1 1   11   25   18 o   70.063   6.2565 -0.7568283 12.51291 
1 1 1   11   25   19 o  132.383   5.3900 5.848724 10.78001 
1 1 1   11   25   20 o   44.352   7.4030 14.30069 14.80606 
1 1 1   11   25   21 o   29.817   8.1294 2.226412 16.25874 
1 1 1   11   25   22 o   21.224   6.8698 -2.892763 13.73957 
1 1 1   11   25   23 o   27.364   7.9402 9.706593 15.88047 
1 1 1   11   25   24 o   80.208   4.7949 4.604691 9.589867 
1 1 1   11   25   25 o   18.476   6.3976 0.1888924 12.79522 
1 1 1   11   25   26 o   28.215   8.3477 5.430798 16.69534 
1 1 1   11   25   27 o   96.159   4.4909 -15.57918 8.981794 
1 1 1   11   25   28 o   32.128   8.6503 6.849394 17.30060 
1 1 1   11   26    0 o   23.906   10.713 0.000000 0.000000 
1 1 1   11   26    1 o  117.459   3.3468 5.107574 6.693560 
1 1 1   11   26    2 o  108.480   3.4084 7.185295 6.816817 
1 1 1   11   26    3 o  130.637   2.9190 -3.658005 5.837956 
1 1 1   11   26    4 o   92.455   3.9584 -10.85294 7.916774 
1 1 1   11   26    5 o  143.848   2.5290 -6.245682 5.058044 
1 1 1   11   26    6 o  123.705   3.0876 -8.168556 6.175104 
1 1 1   11   26    7 o  108.697   4.4469 -4.460693 8.893826 
1 1 1   11   26    8 o  211.848   2.6656 0.9216309E-02 5.331108 
1 1 1   11   26    9 o  112.334   4.1553 -5.568924 8.310584 
1 1 1   11   26   10 o   25.091   8.0749 3.739573 16.14970 
1 1 1   11   26   11 o   82.322   5.5267 7.065872 11.05336 
1 1 1   11   26   12 o   54.746   8.0344 -0.1240921 16.06880 
1 1 1   11   26   13 o   25.447   7.9502 -8.057360 15.90047 
1 1 1   11   26   14 o   24.469   7.8445 -0.1485195 15.68906 
1 1 1   11   26   15 o  117.529   3.7978 2.979599 7.595584 
1 1 1   11   26   16 o   88.103   5.1386 2.428650 10.27730 
1 1 1   11   26   17 o  140.135   4.0477 6.512360 8.095327 
1 1 1   11   26   18 o   22.722   7.6200 0.4753208 15.23998 
1 1 1   11   26   19 o   38.627   9.5205 -7.964088 19.04103 
1 1 1   11   26   20 o   82.144   3.8241 20.73607 7.648183 
1 1 1   11   26   21 f   62.183   5.5124 2.180794 11.02475 
1 1 1   11   26   22 f   28.463   7.4218 -13.29745 14.84361 
1 1 1   11   26   23 f   55.918   6.7953 7.043678 13.59056 
1 1 1   11   26   24 o   24.194   7.6369 1.331980 15.27380 
1 1 1   11   26   25 o   33.424   8.6127 -7.939234 17.22533 
1 1 1   11   26   26 o   64.718   6.3828 -25.54108 12.76552 
1 1 1   11   26   27 o   26.259   8.1196 0.3656349 16.23914 
1 1 1   11   27    0 o   54.773   9.9607 0.000000 0.000000 
1 1 1   11   27    1 f   93.963   3.8434 1.881554 7.686780 
1 1 1   11   27    2 o   60.433   6.1149 10.67286 12.22971 
1 1 1   11   27    3 o  109.426   3.6176 -11.84357 7.235164 
1 1 1   11   27    4 o  134.473   2.8007 0.3304138 5.601382 
1 1 1   11   27    5 f   30.278   8.0044 -14.48685 16.00889 
1 1 1   11   27    6 o  140.361   2.5080 -0.3028412 5.016052 
1 1 1   11   27    7 o  129.462   3.5878 7.210091 7.175560 
1 1 1   11   27    8 o   86.119   5.3048 4.260971 10.60964 
1 1 1   11   27    9 o  132.399   3.5242 -4.602829 7.048325 
1 1 1   11   27   10 o   37.406   8.8016 -14.56940 17.60320 
1 1 1   11   27   11 f  126.967   3.4413 -6.569191 6.882625 
1 1 1   11   27   12 o  128.556   3.4532 -4.582664 6.906425 
1 1 1   11   27   13 o   80.983   5.4053 -5.326454 10.81051 
1 1 1   11   27   14 o   65.958   6.6721 -4.959377 13.34426 
1 1 1   11   27   15 o   73.685   6.1418 -2.650978 12.28359 
1 1 1   11   27   16 f  117.515   4.0226 10.88830 8.045195 
1 1 1   11   27   17 o   35.795   9.3545 2.753750 18.70901 
1 1 1   11   27   18 o   57.324   7.7870 -9.062801 15.57391 
1 1 1   11   27   19 o   86.459   5.2568 -11.06764 10.51370 
1 1 1   11   27   20 o   76.052   5.8805 -5.639717 11.76103 
1 1 1   11   27   21 o   36.302   7.7361 -12.38651 15.47229 
1 1 1   11   27   22 o   26.337   7.8840 2.582878 15.76799 
1 1 1   11   27   23 o   22.111   7.0845 -7.174047 14.16892 
1 1 1   11   27   24 o   30.396   8.4011 -3.798897 16.80222 
1 1 1   11   27   25 o   24.130   7.5683 6.007627 15.13657 
1 1 1   11   27   26 o   78.146   5.4167 -14.55876 10.83340 
1 1 1   11   28    0 o  165.145   3.5704 0.000000 0.000000 
1 1 1   11   28    1 o   92.222   4.2437 3.170502 8.487434 
1 1 1   11   28    2 o   41.853   7.7852 -10.52552 15.57049 
1 1 1   11   28    3 o   17.794   6.1041 -7.808615 12.20827 
1 1 1   11   28    4 o   29.901   8.0639 -3.175011 16.12789 
1 1 1   11   28    5 o  196.420   2.0860 2.648056 4.172072 
1 1 1   11   28    6 o  117.571   2.8421 2.830933 5.684287 
1 1 1   11   28    7 o  204.737   2.2191 4.694656 4.438145 
1 1 1   11   28    8 o   32.984   8.8149 1.044487 17.62980 
1 1 1   11   28    9 o   59.496   7.2618 18.61008 14.52362 
1 1 1   11   28   10 o   27.338   8.1794 -13.36866 16.35885 
1 1 1   11   28   11 o  103.149   4.3029 -4.760269 8.605834 
1 1 1   11   28   12 o   18.762   6.5232 1.389692 13.04643 
1 1 1   11   28   13 o   38.252   8.7090 -20.29686 17.41799 
1 1 1   11   28   14 o   86.415   5.0213 8.334976 10.04264 
1 1 1   11   28   15 o   26.631   8.2816 -6.927149 16.56322 
1 1 1   11   28   16 o   75.566   5.9107 8.298256 11.82140 
1 1 1   11   28   17 o   27.394   8.2932 9.810825 16.58642 
1 1 1   11   28   18 o   51.590   8.3419 -27.17569 16.68379 
1 1 1   11   28   19 o   47.441   7.3018 -44.86816 14.60362 
1 1 1   11   28   20 o   60.104   7.8414 -10.50444 15.68282 
1 1 1   11   28   21 o   28.822   8.0641 14.38163 16.12813 
1 1 1   11   28   22 o   31.406   7.9257 -4.532370 15.85146 
1 1 1   11   28   23 o   24.115   7.4018 13.48736 14.80367 
1 1 1   11   28   24 o   33.258   8.0200 -25.77785 16.03996 
1 1 1   11   28   25 x  ?   ?       ?      ? 
1 1 1   11   29    0 o   38.851   12.396 0.000000 0.000000 
1 1 1   11   29    1 o  126.022   3.0543 -14.00014 6.108610 
1 1 1   11   29    2 o  116.264   2.9509 -10.02137 5.901875 
1 1 1   11   29    3 o   86.495   3.8415 0.8560638 7.683089 
1 1 1   11   29    4 o   18.520   6.2601 0.9213390 12.52020 
1 1 1   11   29    5 o   34.975   7.8984 -4.994015 15.79670 
1 1 1   11   29    6 o   94.550   3.5915 9.272949 7.183031 
1 1 1   11   29    7 o   17.735   5.9423 3.029657 11.88467 
1 1 1   11   29    8 o   36.923   9.0600 14.97403 18.12004 
1 1 1   11   29    9 o   38.881   9.0125 13.96326 18.02498 
1 1 1   11   29   10 o  102.601   4.1596 0.6814651 8.319263 
1 1 1   11   29   11 o  144.050   3.7854 0.4092865 7.570754 
1 1 1   11   29   12 o   48.489   7.7249 -45.64512 15.44987 
1 1 1   11   29   13 o   51.517   8.6893 -6.392250 17.37853 
1 1 1   11   29   14 o   53.033   8.4092 16.49467 16.81842 
1 1 1   11   29   15 o   39.930   9.4444 1.152973 18.88873 
1 1 1   11   29   16 o   76.282   5.7788 1.019165 11.55753 
1 1 1   11   29   17 o   58.024   8.1694 18.62110 16.33879 
1 1 1   11   29   18 o  100.783   4.6740 6.946594 9.348086 
1 1 1   11   29   19 o   66.801   7.5382 34.41692 15.07643 
1 1 1   11   29   20 o   41.542   8.5230 -29.28816 17.04604 
1 1 1   11   29   21 o   91.146   5.3555 -0.6952057 10.71105 
1 1 1   11   29   22 o   41.007   7.8207 0.6519318E-01 15.64136 
1 1 1   11   29   23 o   74.100   4.7881 -17.75533 9.576198 
1 1 1   11   30    0 o  166.435   3.6312 0.000000 0.000000 
1 1 1   11   30    1 o   43.166   7.7426 8.377846 15.48527 
1 1 1   11   30    2 o  152.028   2.4480 -8.485245 4.896038 
1 1 1   11   30    3 o   37.335   7.8886 -12.81677 15.77720 
1 1 1   11   30    4 o  142.177   2.4757 1.360748 4.951391 
1 1 1   11   30    5 o   15.745   5.5280 -5.926610 11.05593 
1 1 1   11   30    6 o   78.381   4.1699 -5.265976 8.339724 
1 1 1   11   30    7 o   27.861   10.365      ?      ? 
1 1 1   11   30    8 o   84.299   5.2069 33.67194 10.41371 
1 1 1   11   30    9 o  103.988   4.2556 -2.117767 8.511119 
1 1 1   11   30   10 o   92.454   5.0600 3.401863 10.11995 
1 1 1   11   30   11 o   58.817   7.2756 0.3729362 14.55120 
1 1 1   11   30   12 o  126.932   3.5291 1.006516 7.058181 
1 1 1   11   30   13 o   28.968   8.5721 9.287952 17.14429 
1 1 1   11   30   14 o  129.611   3.5461 4.790604 7.092243 
1 1 1   11   30   15 o   50.934   9.8282 -6.871883 19.65645 
1 1 1   11   30   16 o   47.368   8.7226 20.59743 17.44522 
1 1 1   11   30   17 o   30.568   8.8179 4.613811 17.63583 
1 1 1   11   30   18 o   25.513   8.3966 -1.002981 16.79325 
1 1 1   11   30   19 o   27.287   8.3302 -8.724226 16.66047 
1 1 1   11   30   20 o   37.927   9.5000 3.625168 19.00003 
1 1 1   11   30   21 o   50.133   9.0258 -8.893108 18.05157 
1 1 1   11   30   22 o   34.175   8.2550 -7.808538 16.51002 
1 1 1   11   31    0 o  183.097   4.1793 0.000000 0.000000 
1 1 1   11   31    1 o   99.058   4.8767 -46.75732 9.753386 
1 1 1   11   31    2 o   61.421   6.0642 -12.98600 12.12842 
1 1 1   11   31    3 o   99.553   3.8886 1.751747 7.777291 
1 1 1   11   31    4 x  ?   ?       ?      ? 
1 1 1   11   31    5 o   31.888   7.9916 3.810242 15.98323 
1 1 1   11   31    6 o   26.865   7.7718 2.987175 15.54361 
1 1 1   11   31    7 o   63.574   5.0177 10.43698 10.03542 
1 1 1   11   31    8 o   54.042   5.9375 7.170506 11.87495 
1 1 1   11   31    9 o   47.258   8.7803 14.49886 17.56051 
1 1 1   11   31   10 o   28.632   8.5040 -2.996511 17.00791 
1 1 1   11   31   11 o   41.406   8.4345 26.88017 16.86890 
1 1 1   11   31   12 o   89.529   4.9543 -11.95477 9.908661 
1 1 1   11   31   13 o   21.328   7.2152 -3.287741 14.43045 
1 1 1   11   31   14 o  122.697   3.7792 3.571419 7.558473 
1 1 1   11   31   15 o   35.029   9.0622 13.33907 18.12433 
1 1 1   11   31   16 o   35.881   9.0332 -11.26470 18.06640 
1 1 1   11   31   17 o   24.449   7.9529 -0.8063316E-01 15.90588 
1 1 1   11   31   18 o   52.643   8.6390 9.208817 17.27804 
1 1 1   11   31   19 o   23.394   7.7686 -3.745071 15.53725 
1 1 1   11   31   20 o   68.477   6.8594 -10.53242 13.71881 
1 1 1   11   31   21 x  ?   ?       ?      ? 
1 1 1   11   32    0 o   33.220   12.197 0.000000 0.000000 
1 1 1   11   32    1 o   22.508   7.0627 8.377832 14.12538 
1 1 1   11   32    2 o  114.377   3.0586 -9.688049 6.117211 
1 1 1   11   32    3 o  103.285   3.5726 -2.267982 7.145175 
1 1 1   11   32    4 o   22.968   7.1703 -2.518347 14.34053 
1 1 1   11   32    5 o   82.806   4.0339 16.79957 8.067801 
1 1 1   11   32    6 o  109.545   3.0081 7.011200 6.016135 
1 1 1   11   32    7 o   19.919   6.4718 -12.05939 12.94366 
1 1 1   11   32    8 o   88.443   3.5411 2.400070 7.082167 
1 1 1   11   32    9 o   52.940   10.158      ?      ? 
1 1 1   11   32   10 o   76.791   5.7220 -8.780891 11.44390 
1 1 1   11   32   11 o   24.428   7.8966 3.654684 15.79314 
1 1 1   11   32   12 o   35.033   8.8436 -11.29541 17.68723 
1 1 1   11   32   13 o   40.815   9.0696 11.59274 18.13923 
1 1 1   11   32   14 o  103.889   4.3965 0.5862579 8.793070 
1 1 1   11   32   15 o   90.547   5.1703 -3.467934 10.34063 
1 1 1   11   32   16 o   72.316   6.7326 -7.621201 13.46522 
1 1 1   11   32   17 o   32.585   9.0366 -9.985079 18.07318 
1 1 1   11   32   18 f   68.229   6.8649 14.28057 13.72990 
1 1 1   11   32   19 o   49.593   9.9856 -2.638977 19.97113 
1 1 1   11   33    0 o   24.544   10.924 0.000000 0.000000 
1 1 1   11   33    1 o   36.393   8.2543 4.589638 16.50862 
1 1 1   11   33    2 o   41.617   8.0320 4.937931 16.06404 
1 1 1   11   33    3 o   34.847   8.0501 5.273880 16.10021 
1 1 1   11   33    4 o   32.413   7.6847 -16.42040 15.36945 
1 1 1   11   33    5 o   49.965   6.6351 -30.86800 13.27027 
1 1 1   11   33    6 o   50.157   6.8408 14.61068 13.68158 
1 1 1   11   33    7 o   41.054   6.8469 24.37793 13.69387 
1 1 1   11   33    8 o   22.645   7.0768 -8.018734 14.15354 
1 1 1   11   33    9 o   62.449   5.0759 -4.364155 10.15170 
1 1 1   11   33   10 o   96.338   4.6114 -9.507080 9.222793 
1 1 1   11   33   11 o   28.842   8.9746 24.27367 17.94927 
1 1 1   11   33   12 o   29.646   8.6683 -1.474304 17.33653 
1 1 1   11   33   13 o   77.250   5.6857 6.567177 11.37149 
1 1 1   11   33   14 o   23.196   7.6273 -1.915783 15.25462 
1 1 1   11   33   15 o   78.800   5.5903 -4.295670 11.18055 
1 1 1   11   33   16 o   27.840   8.4820 15.07786 16.96408 
1 1 1   11   33   17 o   61.619   7.5680 22.57589 15.13606 
1 1 1   11   34    0 o   19.439   9.5242 0.000000 0.000000 
1 1 1   11   34    1 o   51.448   7.0802 -4.326366 14.16033 
1 1 1   11   34    2 o   34.431   8.2395 3.108147 16.47904 
1 1 1   11   34    3 o   45.040   7.6982 5.108536 15.39633 
1 1 1   11   34    4 f   50.176   6.8767 -1.879124 13.75333 
1 1 1   11   34    5 o   32.810   8.1505 3.714361 16.30105 
1 1 1   11   34    6 o   30.030   7.9198 -10.12770 15.83966 
1 1 1   11   34    7 o   48.703   7.0790 -9.340054 14.15806 
1 1 1   11   34    8 o   86.325   3.8712 -5.122841 7.742407 
1 1 1   11   34    9 o   40.438   7.5369 -19.35996 15.07373 
1 1 1   11   34   10 o   39.855   9.0001 19.65502 18.00028 
1 1 1   11   34   11 o   29.916   8.6056 -6.799183 17.21129 
1 1 1   11   34   12 o   50.135   8.5384 19.63032 17.07683 
1 1 1   11   34   13 o   39.294   10.227 5.174305 20.45380 
1 1 1   11   34   14 o   23.565   7.6710 0.9183826 15.34204 
1 1 1   11   34   15 o   28.594   8.6503 10.66868 17.30067 
1 1 1   11   35    0 o   16.344   8.2618 0.000000 0.000000 
1 1 1   11   35    1 o   26.559   7.9357 -1.730492 15.87149 
1 1 1   11   35    2 o   24.462   7.3806 -12.86391 14.76123 
1 1 1   11   35    3 o   42.985   7.9853 3.304348 15.97052 
1 1 1   11   35    4 o   47.400   7.3543 3.345509 14.70866 
1 1 1   11   35    5 o   25.888   7.6571 1.251646 15.31419 
1 1 1   11   35    6 o   47.931   7.4739 -10.35193 14.94788 
1 1 1   11   35    7 o   47.173   7.5571 -8.660282 15.11426 
1 1 1   11   35    8 o   26.713   7.7876 -7.789364 15.57516 
1 1 1   11   35    9 o   25.046   7.4955 1.029585 14.99100 
1 1 1   11   35   10 o   38.799   8.1485 -6.097107 16.29701 
1 1 1   11   35   11 o   29.644   8.5036 -7.170931 17.00719 
1 1 1   11   35   12 o   67.836   6.4037 16.24624 12.80740 
1 1 1   11   36    0 o  124.510   4.7354 0.000000 0.000000 
1 1 1   11   36    1 o   59.625   6.0681 12.92576 12.13622 
1 1 1   11   36    2 o   32.805   8.0270 8.862078 16.05408 
1 1 1   11   36    3 o   23.531   7.2195 5.308338 14.43897 
1 1 1   11   36    4 o   31.997   8.1140 -2.784992 16.22798 
1 1 1   11   36    5 o   33.967   7.9257 7.759869 15.85136 
1 1 1   11   36    6 o   30.444   8.1852 1.454390 16.37038 
1 1 1   11   36    7 o   51.170   7.6528 -5.558182 15.30556 
1 1 1   11   36    8 o   57.459   8.5326 -13.63713 17.06528 
1 1 1   11   36    9 x  ?   ?       ?      ? 
1 1 1   11   37    0 o   14.001   7.6126 0.000000 0.000000 
1 1 1   11   37    1 o   17.144   6.1189 5.603890 12.23773 
1 1 1   11   37    2 x  ?   ?       ?      ? 
1 1 1   11   37    3 x  ?   ?       ?      ? 
1 1 1   12    0    0 o  406.864   4.3190 0.000000 0.000000 
1 1 1   12    0    1 o  287.338   2.2196 0.000000 0.000000 
1 1 1   12    0    2 o   96.089   1.8178 0.000000 0.000000 
1 1 1   12    0    3 o  202.812   1.7625 0.000000 0.000000 
1 1 1   12    0    4 o   26.985   6.8355 0.000000 0.000000 
1 1 1   12    0    5 o   58.194   3.1136 0.000000 0.000000 
1 1 1   12    0    6 o  474.081   3.5504 0.000000 0.000000 
1 1 1   12    0    7 f   26.859   7.1899 0.000000 0.000000 
1 1 1   12    0    8 o  115.617   2.0991 0.000000 0.000000 
1 1 1   12    0    9 o   98.669   2.3637 0.000000 0.000000 
1 1 1   12    0   10 o   34.878   7.6177 0.000000 0.000000 
1 1 1   12    0   11 o  434.241   3.3074 0.000000 0.000000 
1 1 1   12    0   12 o  275.818   2.3411 0.000000 0.000000 
1 1 1   12    0   13 o   55.041   6.0088 0.000000 0.000000 
1 1 1   12    0   14 o   58.637   6.3057 0.000000 0.000000 
1 1 1   12    0   15 o  283.052   2.5010 0.000000 0.000000 
1 1 1   12    0   16 o  102.169   3.7950 0.000000 0.000000 
1 1 1   12    0   17 o  255.804   3.6781 0.000000 0.000000 
1 1 1   12    0   18 o  351.841   3.4357 0.000000 0.000000 
1 1 1   12    0   19 o  562.846   5.2644 0.000000 0.000000 
1 1 1   12    0   20 f   98.598   6.7280 0.000000 0.000000 
1 1 1   12    0   21 o  151.201   5.2754 0.000000 0.000000 
1 1 1   12    0   22 o   98.795   7.4319 0.000000 0.000000 
1 1 1   12    0   23 o  311.701   3.8012 0.000000 0.000000 
1 1 1   12    0   24 o  442.160   4.3461 0.000000 0.000000 
1 1 1   12    0   25 o   55.396   14.543 0.000000 0.000000 
1 1 1   12    0   26 o  189.664   4.8016 0.000000 0.000000 
1 1 1   12    0   27 o   37.464   14.608 0.000000 0.000000 
1 1 1   12    0   28 o   51.394   14.823 0.000000 0.000000 
1 1 1   12    0   29 o  295.690   3.9214 0.000000 0.000000 
1 1 1   12    0   30 o   39.404   14.089 0.000000 0.000000 
1 1 1   12    0   31 o   68.436   12.029 0.000000 0.000000 
1 1 1   12    0   32 o  144.868   5.4452 0.000000 0.000000 
1 1 1   12    0   33 o   26.574   11.647 0.000000 0.000000 
1 1 1   12    0   34 o   25.174   11.653 0.000000 0.000000 
1 1 1   12    0   35 o  161.525   5.1645 0.000000 0.000000 
1 1 1   12    0   36 o  111.178   7.0530 0.000000 0.000000 
1 1 1   12    0   37 o   35.947   13.430 0.000000 0.000000 
1 1 1   12    1    0 o  220.247   1.8155 0.000000 0.000000 
1 1 1   12    1    1 f  246.223   1.3891 2.762955 2.778253 
1 1 1   12    1    2 o  294.868   1.6086 1.116211 3.217162 
1 1 1   12    1    3 o   40.793   2.8954 13.40758 5.790716 
1 1 1   12    1    4 o  228.035   1.3346 2.731644 2.669145 
1 1 1   12    1    5 o  355.910   1.9145 -3.859497 3.828946 
1 1 1   12    1    6 o  214.107   1.3171 2.702225 2.634194 
1 1 1   12    1    7 o  288.819   1.7496 0.1885071 3.499126 
1 1 1   12    1    8 f  158.635   1.3882 2.763092 2.776303 
1 1 1   12    1    9 o  283.554   1.6232 -1.790070 3.246410 
1 1 1   12    1   10 o  178.928   1.5066 5.617493 3.013184 
1 1 1   12    1   11 o  242.964   1.5337 6.583893 3.067472 
1 1 1   12    1   12 f  746.826   3.9282 2.197754 7.856324 
1 1 1   12    1   13 o  102.928   2.1237 2.811195 4.247442 
1 1 1   12    1   14 o  165.018   2.1034 -16.03038 4.206746 
1 1 1   12    1   15 o  592.446   3.8937 -33.00189 7.787448 
1 1 1   12    1   16 o   44.954   6.0888 2.322571 12.17765 
1 1 1   12    1   17 o  742.308   4.2342 -3.850708 8.468412 
1 1 1   12    1   18 o  184.505   2.5964 3.186859 5.192829 
1 1 1   12    1   19 o  541.727   3.8127 -1.579285 7.625422 
1 1 1   12    1   20 o  361.474   2.3539 0.7233276 4.707743 
1 1 1   12    1   21 o  129.882   4.3452 21.31275 8.690415 
1 1 1   12    1   22 o  253.240   2.6686 -5.412231 5.337135 
1 1 1   12    1   23 o  240.862   2.8707 9.858383 5.741445 
1 1 1   12    1   24 o  114.320   4.4133 6.460480 8.826549 
1 1 1   12    1   25 o  296.073   2.4271 3.168793 4.854158 
1 1 1   12    1   26 o  206.158   2.7456 5.470215 5.491186 
1 1 1   12    1   27 o   39.445   9.9749 9.496269 19.94989 
1 1 1   12    1   28 o  182.319   2.9893 -8.278458 5.978559 
1 1 1   12    1   29 o  186.928   2.8791 2.470337 5.758184 
1 1 1   12    1   30 o   75.253   6.4393 15.09527 12.87852 
1 1 1   12    1   31 o   45.174   9.3505 -7.092255 18.70102 
1 1 1   12    1   32 o  136.547   3.6952 0.3248596 7.390341 
1 1 1   12    1   33 o  104.854   4.7264 5.227798 9.452873 
1 1 1   12    1   34 o   42.046   9.5621 15.72230 19.12411 
1 1 1   12    1   35 o   66.534   7.6590 4.715439 15.31791 
1 1 1   12    1   36 o   61.570   8.3198 20.58936 16.63955 
1 1 1   12    1   37 o   30.002   8.7721 3.045494 17.54426 
1 1 1   12    2    0 o  118.991   1.6015 0.000000 0.000000 
1 1 1   12    2    1 o  259.201   1.4460 0.8701477 2.892014 
1 1 1   12    2    2 o  480.119   2.5315 1.072449 5.062899 
1 1 1   12    2    3 o  197.658   1.2178 -2.260742 2.435694 
1 1 1   12    2    4 o   70.985   1.7355 -1.558243 3.470962 
1 1 1   12    2    5 o  363.301   1.9510 2.616364 3.901950 
1 1 1   12    2    6 o  491.062   2.5958 0.4132996 5.191559 
1 1 1   12    2    7 o   65.859   2.3657 1.050133 4.731303 
1 1 1   12    2    8 o  351.302   1.9136 0.2294922E-01 3.827218 
1 1 1   12    2    9 o  281.861   1.6170 -0.7732544 3.234025 
1 1 1   12    2   10 o  490.544   2.8200 7.135468 5.639929 
1 1 1   12    2   11 o  421.209   2.2740 3.317139 4.547986 
1 1 1   12    2   12 o  313.517   1.7986 -1.831543 3.597144 
1 1 1   12    2   13 o  392.525   2.1504 2.106018 4.300873 
1 1 1   12    2   14 o  351.539   1.9987 0.8853760 3.997309 
1 1 1   12    2   15 o  292.140   1.8079 1.859680 3.615785 
1 1 1   12    2   16 o  305.360   2.0584 1.203979 4.116778 
1 1 1   12    2   17 o  430.197   2.6029 -3.218018 5.205896 
1 1 1   12    2   18 o  365.619   2.2516 -3.592987 4.503271 
1 1 1   12    2   19 o  215.401   2.9014 -15.84012 5.802883 
1 1 1   12    2   20 f  500.223   2.8229 -1.529572 5.645772 
1 1 1   12    2   21 o  262.173   3.0995 -9.801666 6.198937 
1 1 1   12    2   22 o  185.840   2.8096 7.985550 5.619237 
1 1 1   12    2   23 o   19.982   6.9836 4.534081 13.96716 
1 1 1   12    2   24 o  354.404   2.6611 0.7536316 5.322193 
1 1 1   12    2   25 o  144.655   3.6747 -6.416000 7.349379 
1 1 1   12    2   26 o  330.293   2.4056 -3.491577 4.811270 
1 1 1   12    2   27 o   60.308   8.3105 -17.67015 16.62105 
1 1 1   12    2   28 o  153.849   3.3803 -3.477905 6.760698 
1 1 1   12    2   29 o   72.557   6.6071 -4.387657 13.21420 
1 1 1   12    2   30 o   60.243   7.9909 14.04225 15.98173 
1 1 1   12    2   31 o   87.416   5.6311 -6.490036 11.26225 
1 1 1   12    2   32 o   95.228   4.9680 -0.3710556 9.936017 
1 1 1   12    2   33 o   62.525   7.8965 -11.33564 15.79305 
1 1 1   12    2   34 o   37.815   9.8601 -7.862400 19.72022 
1 1 1   12    2   35 o   30.892   9.0977 5.576740 18.19545 
1 1 1   12    2   36 o   97.993   5.0063 2.035072 10.01253 
1 1 1   12    2   37 o   34.997   9.3482 6.169743 18.69649 
1 1 1   12    3    0 o  121.985   1.5844 0.000000 0.000000 
1 1 1   12    3    1 o  162.069   1.1299 -1.881180 2.259750 
1 1 1   12    3    2 o  309.741   1.6820 -2.112732 3.363932 
1 1 1   12    3    3 o  169.066   1.1567 3.913742 2.313302 
1 1 1   12    3    4 o   27.480   4.3678 -0.8396339E-01 8.735690 
1 1 1   12    3    5 o  306.011   1.6806 -1.924438 3.361270 
1 1 1   12    3    6 o  242.544   1.4218 -0.9189606 2.843551 
1 1 1   12    3    7 o  407.425   2.1806 -1.188049 4.361187 
1 1 1   12    3    8 o  243.746   1.4535 0.2671814E-01 2.907066 
1 1 1   12    3    9 o   68.331   2.4240 2.052010 4.847970 
1 1 1   12    3   10 o  168.419   1.5268 3.149384 3.053687 
1 1 1   12    3   11 o  490.039   2.8196 3.527283 5.639160 
1 1 1   12    3   12 o  778.254   4.0888 0.7247314 8.177576 
1 1 1   12    3   13 o  333.286   1.8983 0.4556580 3.796574 
1 1 1   12    3   14 o  549.312   3.1647 -2.831482 6.329352 
1 1 1   12    3   15 o  455.780   2.4833 -3.456177 4.966621 
1 1 1   12    3   16 o  333.677   2.1533 3.573792 4.306689 
1 1 1   12    3   17 o  379.898   2.3789 -1.814117 4.757765 
1 1 1   12    3   18 o  498.366   2.8368 1.085724 5.673623 
1 1 1   12    3   19 o  128.061   4.0507 22.44836 8.101446 
1 1 1   12    3   20 o  288.521   2.2765 -1.733795 4.553078 
1 1 1   12    3   21 o   98.060   4.9535 12.31423 9.907053 
1 1 1   12    3   22 o  104.746   4.6637 -4.497414 9.327496 
1 1 1   12    3   23 o  329.983   2.4504 5.657410 4.900701 
1 1 1   12    3   24 o  286.241   2.4473 2.387024 4.894506 
1 1 1   12    3   25 o  305.389   2.4423 -1.470673 4.884624 
1 1 1   12    3   26 o   27.746   9.0274 3.121950 18.05483 
1 1 1   12    3   27 o  189.404   2.9714 6.478180 5.942791 
1 1 1   12    3   28 o   60.847   8.2254 13.76429 16.45086 
1 1 1   12    3   29 o   94.779   4.9959 13.45168 9.991733 
1 1 1   12    3   30 o  165.984   3.0011 -4.046738 6.002156 
1 1 1   12    3   31 o  127.505   3.9100 -2.585052 7.820051 
1 1 1   12    3   32 o   65.916   7.1772 2.978844 14.35442 
1 1 1   12    3   33 o  105.986   4.4696 -5.301743 8.939157 
1 1 1   12    3   34 o   38.620   10.022 4.851921 20.04354 
1 1 1   12    3   35 o   61.271   8.4509 -15.23267 16.90180 
1 1 1   12    3   36 o   47.204   9.7663 -4.112881 19.53264 
1 1 1   12    3   37 o   25.058   7.9174 3.165157 15.83482 
1 1 1   12    4    0 o  128.894   1.6078 0.000000 0.000000 
1 1 1   12    4    1 o  399.550   2.1225 2.850555 4.244998 
1 1 1   12    4    2 o  221.429   1.2993 -6.935471 2.598576 
1 1 1   12    4    3 o  239.607   1.3751 1.142166 2.750195 
1 1 1   12    4    4 o  214.694   1.2934 -3.439880 2.586734 
1 1 1   12    4    5 o  227.652   1.3525 -0.7611389 2.705009 
1 1 1   12    4    6 o  136.462   1.2538 -1.257065 2.507674 
1 1 1   12    4    7 o  147.712   1.2872 0.5094910E-01 2.574324 
1 1 1   12    4    8 o  336.549   1.8480 -3.776093 3.696082 
1 1 1   12    4    9 o  225.495   1.7948 14.11102 3.589679 
1 1 1   12    4   10 o  801.515   4.2074 3.983398 8.414886 
1 1 1   12    4   11 o  379.583   2.2463 -2.479828 4.492601 
1 1 1   12    4   12 o  195.064   1.6611 -10.52725 3.322187 
1 1 1   12    4   13 o  173.680   1.6075 1.771805 3.214929 
1 1 1   12    4   14 o  234.121   1.6465 2.026184 3.292942 
1 1 1   12    4   15 o   65.202   3.9701 3.719078 7.940193 
1 1 1   12    4   16 o  461.819   2.6126 -3.605255 5.225233 
1 1 1   12    4   17 o  253.578   1.9644 1.066513 3.928822 
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1 1 1   12    4   21 o  280.531   2.3320 0.9249573 4.664045 
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1 1 1   12    4   25 o  119.435   4.5083 3.924149 9.016555 
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1 1 1   12    4   28 o   32.405   9.3938 -7.112946 18.78764 
1 1 1   12    4   29 o   77.770   6.0356 17.09030 12.07116 
1 1 1   12    4   30 o  176.760   2.7919 -2.881165 5.583829 
1 1 1   12    4   31 o  150.165   3.2930 13.53537 6.586024 
1 1 1   12    4   32 o   48.299   9.1618 -15.00283 18.32363 
1 1 1   12    4   33 o   58.579   8.1130 23.73521 16.22603 
1 1 1   12    4   34 o   23.749   7.8847 5.204075 15.76932 
1 1 1   12    4   35 o   30.236   8.7388 15.50786 17.47754 
1 1 1   12    4   36 o   21.187   7.2674 -2.872608 14.53479 
1 1 1   12    4   37 o   31.451   8.9451 -2.593952 17.89016 
1 1 1   12    5    0 o  615.302   4.5699 0.000000 0.000000 
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1 1 1   12    5    2 o  309.660   1.6852 1.004303 3.370342 
1 1 1   12    5    3 o  439.103   2.3251 0.1707458 4.650290 
1 1 1   12    5    4 o  262.390   1.4847 0.6244202 2.969373 
1 1 1   12    5    5 o  131.770   1.2206 1.379776 2.441275 
1 1 1   12    5    6 o  166.322   1.2430 0.9599457 2.486033 
1 1 1   12    5    7 o  381.922   2.2170 -4.798370 4.434076 
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1 1 1   12    5    9 o  485.974   2.5852 5.780487 5.170440 
1 1 1   12    5   10 o  407.823   2.3893 0.6182861 4.778636 
1 1 1   12    5   11 o   70.944   3.1707 4.409683 6.341385 
1 1 1   12    5   12 o  376.890   2.0790 -3.660095 4.157954 
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1 1 1   12    5   14 o  334.463   1.9513 -2.564240 3.902613 
1 1 1   12    5   15 o  124.035   2.5051 3.966194 5.010277 
1 1 1   12    5   16 o  302.076   1.9878 2.709412 3.975516 
1 1 1   12    5   17 o  535.722   2.9999 0.2113037 5.999774 
1 1 1   12    5   18 o  387.895   2.5077 -0.6987000 5.015403 
1 1 1   12    5   19 o  369.094   2.7912 10.59052 5.582482 
1 1 1   12    5   20 o  241.561   2.4431 -3.446365 4.886261 
1 1 1   12    5   21 o  249.920   2.3516 8.004669 4.703268 
1 1 1   12    5   22 o  158.418   3.3358 -6.821152 6.671659 
1 1 1   12    5   23 o  271.894   2.4650 3.192627 4.929996 
1 1 1   12    5   24 o  251.692   2.9084 -0.9977722 5.816884 
1 1 1   12    5   25 o   43.354   10.026 -3.145737 20.05135 
1 1 1   12    5   26 o  131.558   4.0270 6.121979 8.053964 
1 1 1   12    5   27 o  113.984   4.5078 0.9740753 9.015517 
1 1 1   12    5   28 o   80.298   5.8686 15.30479 11.73720 
1 1 1   12    5   29 o   26.250   8.4487 4.013285 16.89740 
1 1 1   12    5   30 o   73.970   7.0220 -4.137878 14.04408 
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1 1 1   12    5   32 o  192.898   2.6690 -2.508057 5.337948 
1 1 1   12    5   33 o   40.114   8.8205 23.56537 17.64097 
1 1 1   12    5   34 o   36.494   9.3827 -8.928719 18.76531 
1 1 1   12    5   35 o   34.229   9.3910 -12.46333 18.78193 
1 1 1   12    5   36 f   26.481   8.6736 -4.770597 17.34729 
1 1 1   12    5   37 o   41.634   9.6463 6.111141 19.29265 
1 1 1   12    6    0 o  362.530   2.7453 0.000000 0.000000 
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1 1 1   12    6    2 f  384.478   2.0522 -1.519043 4.104369 
1 1 1   12    6    3 o  405.047   2.3293 1.280273 4.658539 
1 1 1   12    6    4 o  336.396   1.9636 -0.2468262 3.927282 
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1 1 1   12    6    6 o  506.573   2.6786 0.6161499E-01 5.357163 
1 1 1   12    6    7 o  493.308   2.8218 7.024841 5.643539 
1 1 1   12    6    8 o  387.942   2.4241 2.040802 4.848100 
1 1 1   12    6    9 o  443.945   2.3785 3.915161 4.756930 
1 1 1   12    6   10 o  202.605   1.4364 1.182083 2.872718 
1 1 1   12    6   11 o  195.450   1.5752 3.532410 3.150299 
1 1 1   12    6   12 o  192.665   1.7754 7.581650 3.550809 
1 1 1   12    6   13 o  419.677   2.2984 5.708801 4.596714 
1 1 1   12    6   14 o  366.127   2.0760 0.6231384 4.152083 
1 1 1   12    6   15 o  456.043   2.5864 -2.046783 5.172722 
1 1 1   12    6   16 o  275.000   1.9189 -1.375214 3.837856 
1 1 1   12    6   17 o  437.508   2.5341 -5.346466 5.068136 
1 1 1   12    6   18 o  528.454   3.1214 -0.4509277 6.242731 
1 1 1   12    6   19 o  279.699   2.1974 -2.579041 4.394860 
1 1 1   12    6   20 o  392.941   3.0881 10.66531 6.176292 
1 1 1   12    6   21 o  162.203   3.0637 6.943573 6.127410 
1 1 1   12    6   22 o  334.837   2.7561 1.764923 5.512216 
1 1 1   12    6   23 o  278.095   2.3917 3.783722 4.783388 
1 1 1   12    6   24 o  146.124   3.4794 3.750443 6.958720 
1 1 1   12    6   25 o  121.110   4.3687 -5.671951 8.737341 
1 1 1   12    6   26 o   90.033   5.7978 -4.713463 11.59562 
1 1 1   12    6   27 o   71.528   6.7018 2.343643 13.40352 
1 1 1   12    6   28 o   31.530   9.0044 13.45728 18.00875 
1 1 1   12    6   29 o   42.310   9.2704 7.447609 18.54071 
1 1 1   12    6   30 o   62.376   7.7734 -15.43995 15.54686 
1 1 1   12    6   31 o  170.480   3.0404 3.295837 6.080882 
1 1 1   12    6   32 o   92.904   5.6736 -0.7671967 11.34718 
1 1 1   12    6   33 o   91.883   5.1952 -8.944511 10.39036 
1 1 1   12    6   34 o   87.481   6.2014 -9.567314 12.40281 
1 1 1   12    6   35 o   61.145   8.9454 9.688683 17.89087 
1 1 1   12    6   36 o   35.227   9.7584 5.897816 19.51678 
1 1 1   12    6   37 o   38.122   10.019 -10.24962 20.03856 
1 1 1   12    7    0 o   63.523   2.8083 0.000000 0.000000 
1 1 1   12    7    1 o  538.653   2.8370 3.844666 5.673954 
1 1 1   12    7    2 o  365.503   1.9587 -1.896301 3.917481 
1 1 1   12    7    3 o  208.219   1.2781 3.913803 2.556299 
1 1 1   12    7    4 o  279.899   1.5618 -1.204620 3.123547 
1 1 1   12    7    5 o  295.662   1.7708 8.802887 3.541619 
1 1 1   12    7    6 o   74.205   2.2951 2.074768 4.590112 
1 1 1   12    7    7 o  309.689   1.8677 2.009827 3.735392 
1 1 1   12    7    8 o  211.761   1.4912 -0.8045044 2.982481 
1 1 1   12    7    9 o  270.988   1.5932 -1.542206 3.186436 
1 1 1   12    7   10 o  463.295   2.4794 0.4768066 4.958899 
1 1 1   12    7   11 o  332.331   1.8778 -7.482056 3.755620 
1 1 1   12    7   12 o  282.671   1.7175 2.495972 3.435048 
1 1 1   12    7   13 o  342.252   2.1345 -3.241211 4.268987 
1 1 1   12    7   14 o  422.402   2.4145 -2.661407 4.829099 
1 1 1   12    7   15 o  175.281   1.9833 -6.433472 3.966668 
1 1 1   12    7   16 o  436.794   2.5174 1.578430 5.034838 
1 1 1   12    7   17 o  220.300   2.2027 1.056625 4.405403 
1 1 1   12    7   18 o  381.952   2.3737 -5.143890 4.747316 
1 1 1   12    7   19 o  375.060   2.7045 -10.93747 5.408931 
1 1 1   12    7   20 o  309.939   2.2862 2.726166 4.572342 
1 1 1   12    7   21 o  274.695   2.3613 3.111511 4.722606 
1 1 1   12    7   22 o   37.741   10.088 5.204067 20.17602 
1 1 1   12    7   23 o  337.805   2.4120 -1.087830 4.824004 
1 1 1   12    7   24 o  135.176   3.8762 12.35376 7.752358 
1 1 1   12    7   25 o   93.495   5.5576 6.639458 11.11521 
1 1 1   12    7   26 o   76.201   7.2944 -22.94469 14.58887 
1 1 1   12    7   27 o  126.055   3.9621 4.566292 7.924107 
1 1 1   12    7   28 o   98.661   4.8050 7.844086 9.609927 
1 1 1   12    7   29 o   25.390   8.1828 2.402847 16.36564 
1 1 1   12    7   30 o  113.074   3.9867 -4.496864 7.973403 
1 1 1   12    7   31 o   25.554   8.2164 -4.416954 16.43275 
1 1 1   12    7   32 o  126.794   4.1116 7.313782 8.223234 
1 1 1   12    7   33 o  108.836   4.9889 11.70274 9.977897 
1 1 1   12    7   34 o   66.110   9.0734 -12.85112 18.14682 
1 1 1   12    7   35 o   45.975   10.013 8.271278 20.02604 
1 1 1   12    7   36 o   93.856   5.4461 -5.210495 10.89213 
1 1 1   12    7   37 o   19.842   6.9546 -6.396795 13.90916 
1 1 1   12    8    0 o  246.505   2.0034 0.000000 0.000000 
1 1 1   12    8    1 o  337.943   1.8266 5.807007 3.653220 
1 1 1   12    8    2 o  109.056   1.2876 1.950508 2.575101 
1 1 1   12    8    3 o  647.635   3.4020 -0.7485962 6.804050 
1 1 1   12    8    4 f  323.211   1.9194 0.9474487 3.838773 
1 1 1   12    8    5 o  182.724   1.2562 4.979843 2.512418 
1 1 1   12    8    6 o  321.966   1.9213 0.8136597 3.842655 
1 1 1   12    8    7 f  299.365   1.6905 0.9059143 3.380927 
1 1 1   12    8    8 o  329.875   1.8345 -0.8567200 3.669056 
1 1 1   12    8    9 o  370.419   2.0296 -1.480011 4.059298 
1 1 1   12    8   10 o  427.965   2.3103 5.495697 4.620560 
1 1 1   12    8   11 o  273.596   1.8406 -6.441345 3.681192 
1 1 1   12    8   12 o  473.829   2.5534 -2.549561 5.106847 
1 1 1   12    8   13 o  621.954   3.5640 -3.944702 7.128078 
1 1 1   12    8   14 o  237.829   1.8362 0.4985199 3.672321 
1 1 1   12    8   15 o   63.295   4.6147 13.09207 9.229379 
1 1 1   12    8   16 o  117.983   2.8348 3.867569 5.669622 
1 1 1   12    8   17 o  388.679   2.3700 -0.9835205 4.740061 
1 1 1   12    8   18 o  135.375   3.0551 3.896240 6.110208 
1 1 1   12    8   19 o  257.845   2.2915 -12.28070 4.583053 
1 1 1   12    8   20 f  147.561   3.0583 5.112976 6.116608 
1 1 1   12    8   21 o  302.947   2.3348 5.155365 4.669690 
1 1 1   12    8   22 o  256.233   2.4665 -0.6816711 4.933096 
1 1 1   12    8   23 o  110.250   4.5527 7.053680 9.105417 
1 1 1   12    8   24 o  233.398   2.6495 -3.473480 5.298964 
1 1 1   12    8   25 o  117.832   4.2825 7.963837 8.565045 
1 1 1   12    8   26 o  165.665   3.1974 11.16803 6.394745 
1 1 1   12    8   27 o  163.026   3.2579 -16.02187 6.515816 
1 1 1   12    8   28 o   90.076   5.3235 -14.74008 10.64697 
1 1 1   12    8   29 o   57.221   7.9943 20.16658 15.98856 
1 1 1   12    8   30 o   37.280   9.3298 -10.01383 18.65962 
1 1 1   12    8   31 o   26.119   8.4180 2.001652 16.83606 
1 1 1   12    8   32 o  149.791   3.5514 -3.314911 7.102880 
1 1 1   12    8   33 o   81.890   7.8720 54.07354 15.74410 
1 1 1   12    8   34 o   28.590   8.7567 8.885035 17.51342 
1 1 1   12    8   35 o  123.228   4.4273 -3.077797 8.854626 
1 1 1   12    8   36 o   68.727   7.6481 1.963135 15.29610 
1 1 1   12    9    0 o  121.105   1.7753 0.000000 0.000000 
1 1 1   12    9    1 o  544.922   2.8725 3.566101 5.744968 
1 1 1   12    9    2 o  255.913   1.4685 0.3709564 2.936910 
1 1 1   12    9    3 o  264.043   1.5030 1.001160 3.005927 
1 1 1   12    9    4 o  145.359   1.3841 -1.406006 2.768206 
1 1 1   12    9    5 o  104.175   1.4555 2.984222 2.910980 
1 1 1   12    9    6 o  128.237   1.3439 -0.1087646 2.687876 
1 1 1   12    9    7 o  302.216   1.7086 3.053650 3.417283 
1 1 1   12    9    8 o  123.481   1.5792 -0.8565979 3.158389 
1 1 1   12    9    9 o  219.555   1.4697 -0.5186462 2.939446 
1 1 1   12    9   10 o  467.032   2.5061 2.283936 5.012153 
1 1 1   12    9   11 o  477.132   2.5641 1.370209 5.128218 
1 1 1   12    9   12 o   44.614   5.7400 -35.40244 11.48005 
1 1 1   12    9   13 o  326.459   2.0156 3.112183 4.031194 
1 1 1   12    9   14 o  270.002   1.8683 4.890778 3.736606 
1 1 1   12    9   15 o  523.391   3.0561 5.235046 6.112119 
1 1 1   12    9   16 o  136.337   2.6329 16.37376 5.265885 
1 1 1   12    9   17 o  178.407   2.8314 -5.225845 5.662861 
1 1 1   12    9   18 o  477.347   2.7764 -0.9509888 5.552801 
1 1 1   12    9   19 o  411.732   3.0106 0.3349304 6.021231 
1 1 1   12    9   20 o  232.112   2.3909 -5.875198 4.781882 
1 1 1   12    9   21 o  205.069   2.6711 3.734695 5.342200 
1 1 1   12    9   22 o  374.845   2.4622 1.359436 4.924403 
1 1 1   12    9   23 f  161.455   3.2343 6.734680 6.468556 
1 1 1   12    9   24 o   30.335   9.1629 7.761543 18.32575 
1 1 1   12    9   25 o   45.199   10.022 8.497959 20.04438 
1 1 1   12    9   26 o  333.334   2.3830 -1.706177 4.766042 
1 1 1   12    9   27 o  182.202   2.8240 7.731522 5.647987 
1 1 1   12    9   28 o  207.683   2.5945 1.438354 5.189037 
1 1 1   12    9   29 o  108.941   4.0899 3.386246 8.179812 
1 1 1   12    9   30 o  152.086   4.4740 -9.092911 8.947930 
1 1 1   12    9   31 o   72.223   6.8859 2.058128 13.77180 
1 1 1   12    9   32 o   58.195   8.7386 -8.822056 17.47712 
1 1 1   12    9   33 o   26.850   8.4607 5.346466 16.92147 
1 1 1   12    9   34 o   28.615   8.8628 7.424301 17.72561 
1 1 1   12    9   35 o   36.075   10.196 -6.143856 20.39123 
1 1 1   12    9   36 f   71.377   6.9014 -11.39671 13.80276 
1 1 1   12   10    0 o  477.244   4.3768 0.000000 0.000000 
1 1 1   12   10    1 o  265.480   1.6378 6.468262 3.275533 
1 1 1   12   10    2 o  715.368   3.7563 3.359009 7.512639 
1 1 1   12   10    3 o  115.087   1.3822 3.127350 2.764321 
1 1 1   12   10    4 o  471.849   2.5063 1.395386 5.012647 
1 1 1   12   10    5 o  422.552   2.2648 -0.4745178 4.529603 
1 1 1   12   10    6 o  442.840   2.5612 1.354584 5.122331 
1 1 1   12   10    7 o  474.047   2.5292 1.475342 5.058310 
1 1 1   12   10    8 o  123.830   1.5677 -0.3843460 3.135405 
1 1 1   12   10    9 o  141.373   1.5309 6.651657 3.061816 
1 1 1   12   10   10 o  397.929   2.1846 0.6742859 4.369143 
1 1 1   12   10   11 o   22.439   6.1808 -6.011135 12.36163 
1 1 1   12   10   12 o  213.357   1.7696 -0.2380981 3.539105 
1 1 1   12   10   13 f  481.711   2.7111 0.8342590 5.422232 
1 1 1   12   10   14 o  586.253   3.2380 -1.030396 6.476071 
1 1 1   12   10   15 o  254.469   1.9610 0.2006073 3.922011 
1 1 1   12   10   16 o  341.775   3.4675      ?      ? 
1 1 1   12   10   17 o   85.542   4.5486 3.474243 9.097178 
1 1 1   12   10   18 f  102.411   5.3592 -5.818268 10.71849 
1 1 1   12   10   19 o   28.916   8.6507 11.96574 17.30139 
1 1 1   12   10   20 o  299.249   2.3546 1.931793 4.709151 
1 1 1   12   10   21 o   77.778   6.7598 2.572311 13.51969 
1 1 1   12   10   22 o  211.239   2.6157 -7.494095 5.231388 
1 1 1   12   10   23 o  274.998   2.4595 0.4285583 4.918966 
1 1 1   12   10   24 o  282.961   2.4040 -1.181091 4.808084 
1 1 1   12   10   25 o  127.909   3.9768 4.405411 7.953678 
1 1 1   12   10   26 o   43.920   9.6427 9.228119 19.28532 
1 1 1   12   10   27 o  124.250   3.7855 10.32011 7.571004 
1 1 1   12   10   28 o  114.816   4.4364 10.14285 8.872892 
1 1 1   12   10   29 o   63.753   8.0758 9.607651 16.15150 
1 1 1   12   10   30 o   65.381   7.7844 0.8842850 15.56886 
1 1 1   12   10   31 o  172.127   3.0182 1.542969 6.036473 
1 1 1   12   10   32 o   72.793   6.9480 1.904335 13.89599 
1 1 1   12   10   33 o   53.090   9.9885 -18.23848 19.97695 
1 1 1   12   10   34 o   31.179   9.1524 -16.46606 18.30476 
1 1 1   12   10   35 o   28.473   8.9322 4.238995 17.86441 
1 1 1   12   10   36 o   42.745   9.7490 -5.472080 19.49791 
1 1 1   12   11    0 o  386.930   2.9491 0.000000 0.000000 
1 1 1   12   11    1 o  483.492   2.5650 -1.855499 5.129982 
1 1 1   12   11    2 o  385.378   2.0788 -0.3551636 4.157564 
1 1 1   12   11    3 o  170.001   1.3119 -1.763168 2.623865 
1 1 1   12   11    4 o  310.494   1.8922 0.3262329E-01 3.784345 
1 1 1   12   11    5 o  853.745   4.4842 1.565308 8.968328 
1 1 1   12   11    6 o  447.955   2.3998 8.121307 4.799688 
1 1 1   12   11    7 o  229.306   1.4745 0.6047974 2.948981 
1 1 1   12   11    8 o  120.263   1.6171 6.684570 3.234164 
1 1 1   12   11    9 o  132.604   1.6571 4.833008 3.314297 
1 1 1   12   11   10 f   77.892   2.6949 -1.412003 5.389774 
1 1 1   12   11   11 o  390.865   2.3581 -0.4677429 4.716117 
1 1 1   12   11   12 f  115.119   2.4449 2.362396 4.889812 
1 1 1   12   11   13 o  624.369   3.4320 -2.298828 6.864017 
1 1 1   12   11   14 o  317.644   2.0576 6.182281 4.115297 
1 1 1   12   11   15 o  321.741   2.1340 2.114777 4.267919 
1 1 1   12   11   16 o  259.369   2.2402 9.446686 4.480466 
1 1 1   12   11   17 o  421.899   2.5549 5.470276 5.109721 
1 1 1   12   11   18 o  262.612   2.3596 -5.946320 4.719132 
1 1 1   12   11   19 o  331.466   2.3423 -3.627930 4.684629 
1 1 1   12   11   20 o  442.998   2.8158 0.6297607 5.631585 
1 1 1   12   11   21 o  214.789   2.5157 -3.643311 5.031435 
1 1 1   12   11   22 o  126.773   7.2884      ?      ? 
1 1 1   12   11   23 f  100.264   4.9927 7.150345 9.985469 
1 1 1   12   11   24 o   96.084   5.2683 3.326790 10.53670 
1 1 1   12   11   25 o  126.523   3.9273 5.614761 7.854691 
1 1 1   12   11   26 o   33.605   9.2308 8.262669 18.46161 
1 1 1   12   11   27 o  157.898   3.2924 0.2525177 6.584816 
1 1 1   12   11   28 o   85.806   7.0850 19.43569 14.16991 
1 1 1   12   11   29 o   24.924   8.1342 -11.17097 16.26837 
1 1 1   12   11   30 o  203.857   2.6744 -2.030273 5.348709 
1 1 1   12   11   31 o   38.137   9.6693 -14.71145 19.33866 
1 1 1   12   11   32 o   34.229   9.4322 5.652470 18.86444 
1 1 1   12   11   33 o   32.813   9.5537 -2.157135 19.10748 
1 1 1   12   11   34 o   36.603   9.7803 -15.89970 19.56051 
1 1 1   12   11   35 o   51.208   9.3972 -25.08805 18.79436 
1 1 1   12   11   36 o   20.883   7.2940 -7.996469 14.58795 
1 1 1   12   12    0 o  648.049   4.8265 0.000000 0.000000 
1 1 1   12   12    1 o  373.258   2.0253 -3.291016 4.050641 
1 1 1   12   12    2 o  330.766   2.3679 -9.201965 4.735821 
1 1 1   12   12    3 o  454.885   2.4286 -2.485596 4.857187 
1 1 1   12   12    4 o   47.552   3.2637 0.1018028 6.527371 
1 1 1   12   12    5 o  124.394   1.5399 -8.737831 3.079782 
1 1 1   12   12    6 o  812.579   4.2770 2.879517 8.554014 
1 1 1   12   12    7 o  634.263   3.3581 2.698364 6.716239 
1 1 1   12   12    8 o  359.115   2.0088 0.7898865 4.017554 
1 1 1   12   12    9 f  224.563   1.7400 -11.65945 3.479975 
1 1 1   12   12   10 o  341.290   1.9591 1.738434 3.918116 
1 1 1   12   12   11 o  381.978   2.2310 2.448029 4.462042 
1 1 1   12   12   12 o  375.229   2.2237 1.330139 4.447344 
1 1 1   12   12   13 o   32.712   7.4327 -4.887465 14.86548 
1 1 1   12   12   14 o  130.875   4.2842 -9.384613 8.568397 
1 1 1   12   12   15 o  266.937   2.0940 3.144958 4.187956 
1 1 1   12   12   16 o  167.257   2.5137 8.197205 5.027423 
1 1 1   12   12   17 o  249.467   2.5626 -3.839630 5.125152 
1 1 1   12   12   18 o  248.709   2.2823 0.2296906 4.564538 
1 1 1   12   12   19 o  166.048   3.2149 0.4808502 6.429764 
1 1 1   12   12   20 o  155.717   3.1798 -6.888107 6.359553 
1 1 1   12   12   21 o  250.183   2.4275 4.511276 4.854953 
1 1 1   12   12   22 o  263.869   2.4028 4.714294 4.805517 
1 1 1   12   12   23 o  119.468   4.0690 3.211830 8.137900 
1 1 1   12   12   24 f   30.973   8.9422 -6.027451 17.88449 
1 1 1   12   12   25 o  162.618   3.2411 -6.936813 6.482156 
1 1 1   12   12   26 o  181.720   2.7739 -3.015930 5.547857 
1 1 1   12   12   27 o  196.794   2.9094 0.4387512 5.818775 
1 1 1   12   12   28 o   27.490   8.5077 7.107407 17.01539 
1 1 1   12   12   29 o  139.326   4.1987 15.01961 8.397391 
1 1 1   12   12   30 o   70.006   7.1610 13.91563 14.32197 
1 1 1   12   12   31 o   19.734   6.8474 1.737259 13.69479 
1 1 1   12   12   32 o   68.756   7.3715 -2.045197 14.74309 
1 1 1   12   12   33 o   39.598   9.8461 -16.35798 19.69226 
1 1 1   12   12   34 o   76.920   6.7355 -12.76752 13.47099 
1 1 1   12   12   35 o   35.765   10.067 -6.527855 20.13416 
1 1 1   12   13    0 o  570.980   5.2355 0.000000 0.000000 
1 1 1   12   13    1 o  450.705   2.4136 -9.413544 4.827178 
1 1 1   12   13    2 o  175.365   1.3830 0.4066925 2.765917 
1 1 1   12   13    3 o  628.998   3.3190 -1.637390 6.638088 
1 1 1   12   13    4 o  134.262   1.5150 0.1556396E-01 3.030039 
1 1 1   12   13    5 f  309.898   1.7833 -3.825104 3.566606 
1 1 1   12   13    6 o   72.551   2.5124 3.180397 5.024739 
1 1 1   12   13    7 o  283.987   1.8331 4.078766 3.666284 
1 1 1   12   13    8 o  330.913   2.0370 -0.7095337 4.073986 
1 1 1   12   13    9 o  134.217   1.6788 1.019760 3.357609 
1 1 1   12   13   10 o  184.123   2.4975 -2.860214 4.995063 
1 1 1   12   13   11 o  299.852   2.0507 4.184631 4.101395 
1 1 1   12   13   12 o  309.369   1.9980 -0.9568176 3.996050 
1 1 1   12   13   13 o  474.271   2.7119 2.648102 5.423770 
1 1 1   12   13   14 o  454.601   3.0934 2.920471 6.186893 
1 1 1   12   13   15 o  169.631   2.3933 2.011292 4.786510 
1 1 1   12   13   16 o  509.327   3.4608 -10.47919 6.921558 
1 1 1   12   13   17 o  368.007   2.3682 -1.176453 4.736478 
1 1 1   12   13   18 o  481.256   2.8401 -3.083740 5.680256 
1 1 1   12   13   19 o   94.697   4.9460 11.82599 9.892038 
1 1 1   12   13   20 o  136.997   3.4848 -3.314621 6.969591 
1 1 1   12   13   21 f  202.259   2.6634 -6.011520 5.326746 
1 1 1   12   13   22 f  313.143   2.4781 3.283752 4.956239 
1 1 1   12   13   23 o   56.917   8.7580 0.6947250 17.51596 
1 1 1   12   13   24 o  257.911   2.3892 -1.403503 4.778493 
1 1 1   12   13   25 o   31.949   8.9791 -7.088001 17.95822 
1 1 1   12   13   26 o  200.394   2.7511 -6.995178 5.502134 
1 1 1   12   13   27 o   55.707   8.9392 -2.042480 17.87830 
1 1 1   12   13   28 o   65.369   8.4118 20.59245 16.82361 
1 1 1   12   13   29 o   95.900   4.9948 2.775742 9.989553 
1 1 1   12   13   30 o  128.860   3.8947 4.269066 7.789315 
1 1 1   12   13   31 o  119.424   4.4367 4.435928 8.873477 
1 1 1   12   13   32 o   45.711   10.074 -13.54481 20.14863 
1 1 1   12   13   33 o   32.469   9.8064 -1.710188 19.61274 
1 1 1   12   13   34 o   39.420   9.9796 0.5095673 19.95912 
1 1 1   12   13   35 o   28.685   8.7119 -3.313326 17.42380 
1 1 1   12   14    0 o   16.087   7.7133 0.000000 0.000000 
1 1 1   12   14    1 o  220.351   1.5033 -1.989136 3.006632 
1 1 1   12   14    2 o  180.840   1.6411 -7.252686 3.282194 
1 1 1   12   14    3 f  157.372   1.8354 -10.38426 3.670873 
1 1 1   12   14    4 o  267.844   1.6529 -1.512665 3.305787 
1 1 1   12   14    5 o  209.456   1.7062 -0.5986786 3.412300 
1 1 1   12   14    6 o  166.992   1.6153 13.72200 3.230696 
1 1 1   12   14    7 o  438.565   2.7740 -2.773346 5.547920 
1 1 1   12   14    8 o  232.058   2.1689 -0.9304047 4.337784 
1 1 1   12   14    9 o  316.553   2.4511 -1.630798 4.902137 
1 1 1   12   14   10 o  703.559   4.3014 0.5207520 8.602761 
1 1 1   12   14   11 o  436.600   2.5110 3.014893 5.022004 
1 1 1   12   14   12 o  372.228   2.2736 8.888123 4.547136 
1 1 1   12   14   13 f  338.704   2.1968 4.612183 4.393566 
1 1 1   12   14   14 o  280.516   2.0943 6.283691 4.188568 
1 1 1   12   14   15 o  249.566   2.5841 -20.52312 5.168159 
1 1 1   12   14   16 o   23.247   7.4785 16.07090 14.95710 
1 1 1   12   14   17 o  373.829   2.4083 -1.186707 4.816604 
1 1 1   12   14   18 o  165.979   2.9019 -6.260727 5.803858 
1 1 1   12   14   19 o  119.298   3.8180 -6.360336 7.636006 
1 1 1   12   14   20 o  130.067   4.5731 15.30232 9.146154 
1 1 1   12   14   21 o   80.406   5.9575 -12.82229 11.91500 
1 1 1   12   14   22 o  156.386   3.2371 -5.773773 6.474148 
1 1 1   12   14   23 o  167.948   2.9360 -1.117401 5.871953 
1 1 1   12   14   24 o  212.401   2.4947 -2.663284 4.989444 
1 1 1   12   14   25 o  143.731   3.5891 0.6269836E-01 7.178284 
1 1 1   12   14   26 o   22.148   7.6630 -1.015541 15.32595 
1 1 1   12   14   27 o  186.194   2.8890 0.6766510 5.778065 
1 1 1   12   14   28 o  127.406   5.0666 15.71265 10.13326 
1 1 1   12   14   29 o   25.719   8.2221 2.329283 16.44422 
1 1 1   12   14   30 o   27.447   8.6047 -8.372414 17.20945 
1 1 1   12   14   31 o   60.407   9.5158 -0.9875603 19.03151 
1 1 1   12   14   32 o   58.598   8.5105 26.03220 17.02090 
1 1 1   12   14   33 o   81.065   6.2949 -0.7567902 12.58972 
1 1 1   12   14   34 o   28.923   8.8075 -2.346630 17.61498 
1 1 1   12   15    0 o  298.818   3.6597 0.000000 0.000000 
1 1 1   12   15    1 o  286.921   1.7374 2.044739 3.474855 
1 1 1   12   15    2 o   64.327   4.1901 4.918530 8.380142 
1 1 1   12   15    3 o  372.156   2.0840 0.8100281 4.167947 
1 1 1   12   15    4 o   78.139   3.1041 -9.502457 6.208164 
1 1 1   12   15    5 o  269.661   1.9164 11.57123 3.832844 
1 1 1   12   15    6 o  343.324   2.3128 -2.295105 4.625652 
1 1 1   12   15    7 o  277.258   2.0901 -1.923279 4.180192 
1 1 1   12   15    8 o  307.870   2.2045 1.215607 4.409008 
1 1 1   12   15    9 o  288.792   2.6097 0.5270996 5.219364 
1 1 1   12   15   10 o  173.735   2.7664 1.199188 5.532869 
1 1 1   12   15   11 o  414.726   4.7175      ?      ? 
1 1 1   12   15   12 o  333.784   2.4695 -2.662750 4.939023 
1 1 1   12   15   13 o  256.678   2.0505 4.501740 4.100901 
1 1 1   12   15   14 o  523.339   3.7629 21.55865 7.525768 
1 1 1   12   15   15 o  139.941   2.9788 7.027939 5.957582 
1 1 1   12   15   16 o  334.337   2.2915 1.425903 4.582930 
1 1 1   12   15   17 o  133.190   4.0539 20.29723 8.107841 
1 1 1   12   15   18 o  361.112   2.3826 -2.078033 4.765198 
1 1 1   12   15   19 f   96.036   4.6430 -0.6725311E-01 9.285930 
1 1 1   12   15   20 o  121.847   3.8514 6.064301 7.702773 
1 1 1   12   15   21 o   79.735   5.8897 -7.089767 11.77933 
1 1 1   12   15   22 o  265.860   2.3516 1.085205 4.703234 
1 1 1   12   15   23 o  107.168   4.2406 -0.9808044 8.481156 
1 1 1   12   15   24 o  178.420   2.9528 2.631439 5.905674 
1 1 1   12   15   25 o  206.173   2.6937 4.334198 5.387346 
1 1 1   12   15   26 o   57.753   7.9479 18.43676 15.89587 
1 1 1   12   15   27 o  120.684   4.0156 -4.450829 8.031170 
1 1 1   12   15   28 o  132.059   3.7676 4.925003 7.535259 
1 1 1   12   15   29 o   92.193   5.3030 14.28650 10.60592 
1 1 1   12   15   30 o   37.862   9.1092 17.82806 18.21832 
1 1 1   12   15   31 f   85.854   5.6188 -2.835052 11.23767 
1 1 1   12   15   32 o   43.133   9.7889 7.407185 19.57789 
1 1 1   12   15   33 o  103.314   4.7787 -8.915901 9.557340 
1 1 1   12   15   34 o   27.466   8.4423 -22.76442 16.88460 
1 1 1   12   16    0 o  298.288   2.5519 0.000000 0.000000 
1 1 1   12   16    1 o  303.612   1.8276 -1.621857 3.655249 
1 1 1   12   16    2 o  150.183   1.7606 2.110840 3.521293 
1 1 1   12   16    3 o   24.830   6.3107 9.768759 12.62134 
1 1 1   12   16    4 o   61.402   3.5243 8.289356 7.048637 
1 1 1   12   16    5 o  139.705   2.4920 -2.728882 4.984094 
1 1 1   12   16    6 o  219.730   2.2933 -1.454147 4.586661 
1 1 1   12   16    7 o  186.195   2.4520 2.335556 4.903918 
1 1 1   12   16    8 o  278.237   2.1961 -2.509918 4.392132 
1 1 1   12   16    9 o  339.202   2.4308 0.7709961 4.861609 
1 1 1   12   16   10 o  179.444   3.5864 37.10007 7.172723 
1 1 1   12   16   11 o   74.438   5.6586 8.448196 11.31714 
1 1 1   12   16   12 o   25.376   8.1797 -6.538155 16.35933 
1 1 1   12   16   13 o  713.299   4.9026 -6.533569 9.805184 
1 1 1   12   16   14 o  314.428   2.5770 -6.630066 5.154006 
1 1 1   12   16   15 o  175.107   2.5108 6.289673 5.021653 
1 1 1   12   16   16 o  170.251   3.4317 22.77429 6.863361 
1 1 1   12   16   17 o  196.095   2.4784 10.12042 4.956887 
1 1 1   12   16   18 o  256.261   2.2604 2.106384 4.520862 
1 1 1   12   16   19 o  100.774   4.3542 -3.510513 8.708330 
1 1 1   12   16   20 o  103.906   4.1159 -0.5687714 8.231739 
1 1 1   12   16   21 o  208.855   2.4811 7.067795 4.962276 
1 1 1   12   16   22 o   46.461   8.9668 7.962963 17.93359 
1 1 1   12   16   23 o  166.365   2.7364 5.170212 5.472756 
1 1 1   12   16   24 o   94.082   4.8624 -1.512100 9.724808 
1 1 1   12   16   25 o   77.168   6.0938 0.3920135 12.18753 
1 1 1   12   16   26 o   67.450   6.6933 -11.43296 13.38665 
1 1 1   12   16   27 o   94.876   5.7511 -0.8027649 11.50230 
1 1 1   12   16   28 o  130.501   3.6893 2.245697 7.378580 
1 1 1   12   16   29 o   51.910   8.9574 2.213360 17.91478 
1 1 1   12   16   30 o   22.644   7.5952 -2.033346 15.19041 
1 1 1   12   16   31 o   46.968   9.5766 5.544785 19.15316 
1 1 1   12   16   32 o  106.038   4.7519 -5.195816 9.503740 
1 1 1   12   16   33 o   51.064   9.2944 2.993050 18.58872 
1 1 1   12   16   34 x  ?   ?       ?      ? 
1 1 1   12   17    0 o  566.360   4.2768 0.000000 0.000000 
1 1 1   12   17    1 o  508.065   2.7328 -2.443726 5.465541 
1 1 1   12   17    2 o  164.850   1.8163 -6.767670 3.632574 
1 1 1   12   17    3 o  171.495   1.7659 -3.823349 3.531764 
1 1 1   12   17    4 f  272.753   2.0753 4.555054 4.150647 
1 1 1   12   17    5 o  236.749   2.1598 -0.1608124 4.319681 
1 1 1   12   17    6 o  221.662   2.2376 2.597443 4.475188 
1 1 1   12   17    7 o  406.069   2.7199 -0.1380005 5.439795 
1 1 1   12   17    8 o  595.718   4.5393 -13.59265 9.078607 
1 1 1   12   17    9 o  424.073   3.1312 -2.166748 6.262493 
1 1 1   12   17   10 o  404.868   2.7499 4.528870 5.499762 
1 1 1   12   17   11 o   78.509   6.0024 -23.83485 12.00478 
1 1 1   12   17   12 o  289.922   2.8533 12.85800 5.706690 
1 1 1   12   17   13 o  250.820   2.5277 -3.977722 5.055377 
1 1 1   12   17   14 o  306.935   2.9740 -4.059784 5.948004 
1 1 1   12   17   15 o  195.799   2.5479 3.860962 5.095809 
1 1 1   12   17   16 f  222.908   2.5620 1.561295 5.123994 
1 1 1   12   17   17 o   51.367   7.8758 -4.685421 15.75152 
1 1 1   12   17   18 o   27.163   8.0138 24.21572 16.02769 
1 1 1   12   17   19 o  190.882   2.5613 0.8097839 5.122579 
1 1 1   12   17   20 o   37.153   9.2099 5.648632 18.41973 
1 1 1   12   17   21 o  303.018   2.3085 -2.750092 4.616921 
1 1 1   12   17   22 o  104.797   3.9815 6.343170 7.963095 
1 1 1   12   17   23 o  151.813   3.1575 -0.9346008E-01 6.314968 
1 1 1   12   17   24 o   97.713   4.4562 16.07572 8.912392 
1 1 1   12   17   25 o   33.379   8.5443 -22.78488 17.08851 
1 1 1   12   17   26 o  185.307   5.1096      ?      ? 
1 1 1   12   17   27 o   41.683   8.9759 17.92470 17.95179 
1 1 1   12   17   28 o   67.339   6.8984 20.41114 13.79672 
1 1 1   12   17   29 o   99.482   10.539      ?      ? 
1 1 1   12   17   30 o   36.684   9.6878 -6.171780 19.37555 
1 1 1   12   17   31 o   27.086   8.5836 -4.888609 17.16727 
1 1 1   12   17   32 o  106.334   4.8901 4.561516 9.780298 
1 1 1   12   17   33 o   30.605   8.4957 9.086845 16.99142 
1 1 1   12   18    0 x  ?   ?       ?      ? 
1 1 1   12   18    1 o  132.051   2.5488 2.523880 5.097685 
1 1 1   12   18    2 o  365.657   2.4821 1.758545 4.964224 
1 1 1   12   18    3 o   86.238   4.5317 -24.60583 9.063409 
1 1 1   12   18    4 o  555.441   3.0024 3.325989 6.004719 
1 1 1   12   18    5 o  306.776   2.8232 41.91644 5.646436 
1 1 1   12   18    6 o  458.978   2.9813 -0.3732605 5.962596 
1 1 1   12   18    7 f  218.456   2.6020 7.079483 5.204051 
1 1 1   12   18    8 o  291.238   2.3863 2.480011 4.772557 
1 1 1   12   18    9 o  324.159   2.9124 -18.94199 5.824899 
1 1 1   12   18   10 o  184.855   3.6345 39.09422 7.268909 
1 1 1   12   18   11 o  277.695   2.4618 3.838318 4.923615 
1 1 1   12   18   12 o  605.845   3.7943 4.628479 7.588634 
1 1 1   12   18   13 o  128.693   3.8292 -5.536102 7.658347 
1 1 1   12   18   14 f   36.555   9.8538 -15.74578 19.70763 
1 1 1   12   18   15 o  127.156   3.8581 -6.036987 7.716278 
1 1 1   12   18   16 o  243.803   2.3415 -3.814911 4.682968 
1 1 1   12   18   17 o  292.777   2.2686 2.923279 4.537246 
1 1 1   12   18   18 o  226.748   2.3467 -1.782272 4.693343 
1 1 1   12   18   19 o   89.396   4.5094 4.426529 9.018879 
1 1 1   12   18   20 o  243.286   2.2669 0.5722504 4.533743 
1 1 1   12   18   21 o   23.251   7.5115 4.466337 15.02291 
1 1 1   12   18   22 o   41.970   8.0928 -11.88591 16.18550 
1 1 1   12   18   23 o  141.917   3.2533 -5.335663 6.506622 
1 1 1   12   18   24 o   20.650   7.0556 0.4975948 14.11124 
1 1 1   12   18   25 o  107.374   4.4379 10.30721 8.875880 
1 1 1   12   18   26 o  166.835   3.1100 3.086517 6.220057 
1 1 1   12   18   27 o   73.799   6.1500 4.691063 12.29991 
1 1 1   12   18   28 o   73.295   6.7677 -31.75684 13.53532 
1 1 1   12   18   29 o   48.171   9.2630 9.110699 18.52597 
1 1 1   12   18   30 o   84.857   5.5550 7.593559 11.10993 
1 1 1   12   18   31 o   41.002   9.9142 -0.2197990 19.82844 
1 1 1   12   18   32 o   72.779   6.5044 -15.01139 13.00886 
1 1 1   12   19    0 o  434.967   3.4629 0.000000 0.000000 
1 1 1   12   19    1 o  235.147   1.9679 -5.631073 3.935889 
1 1 1   12   19    2 o   39.443   8.6434 -21.16801 17.28687 
1 1 1   12   19    3 o  479.662   2.6457 -0.7827148 5.291464 
1 1 1   12   19    4 o  178.815   2.0926 -6.585922 4.185200 
1 1 1   12   19    5 o   87.420   5.0749 -14.24931 10.14988 
1 1 1   12   19    6 o  221.669   2.7656 7.679047 5.531146 
1 1 1   12   19    7 o  150.095   5.1954      ?      ? 
1 1 1   12   19    8 o   83.502   7.2794 35.57117 14.55878 
1 1 1   12   19    9 o  216.501   2.8031 -10.85490 5.606274 
1 1 1   12   19   10 o  673.132   4.1650 -0.6775513 8.330031 
1 1 1   12   19   11 o  204.153   2.7621 -6.235214 5.524126 
1 1 1   12   19   12 o  115.733   4.5447 9.794273 9.089316 
1 1 1   12   19   13 o  247.854   2.6126 -1.080368 5.225181 
1 1 1   12   19   14 f  256.831   2.7736 0.8880005 5.547232 
1 1 1   12   19   15 o  159.511   3.2623 8.573639 6.524687 
1 1 1   12   19   16 o  188.835   2.9432 -3.907974 5.886369 
1 1 1   12   19   17 o   80.690   4.7819 12.50248 9.563832 
1 1 1   12   19   18 o   99.364   4.0367 11.35840 8.073315 
1 1 1   12   19   19 o  106.130   4.1066 -7.407005 8.213231 
1 1 1   12   19   20 o  121.136   3.3269 7.200012 6.653739 
1 1 1   12   19   21 o   35.900   8.8648 2.702774 17.72953 
1 1 1   12   19   22 o  102.183   4.2244 -2.184555 8.448714 
1 1 1   12   19   23 o   22.567   7.4802 2.209097 14.96036 
1 1 1   12   19   24 o   71.146   6.1510 10.74346 12.30196 
1 1 1   12   19   25 o   74.116   7.6026 -22.56556 15.20518 
1 1 1   12   19   26 f   59.749   7.5163 -19.45743 15.03260 
1 1 1   12   19   27 o   30.310   9.1830 -3.901516 18.36606 
1 1 1   12   19   28 o   29.341   8.6803 -3.412104 17.36062 
1 1 1   12   19   29 o   26.330   8.3611 -2.992800 16.72225 
1 1 1   12   19   30 o   26.105   8.4037 -8.172029 16.80749 
1 1 1   12   19   31 o  109.465   4.5019 -3.109360 9.003752 
1 1 1   12   19   32 o   40.639   9.1103 8.233791 18.22056 
1 1 1   12   20    0 o  387.519   3.2535 0.000000 0.000000 
1 1 1   12   20    1 o  144.632   4.2369      ?      ? 
1 1 1   12   20    2 f  114.940   3.9157 3.464088 7.831348 
1 1 1   12   20    3 o  230.538   4.3492      ?      ? 
1 1 1   12   20    4 o  244.079   4.0450      ?      ? 
1 1 1   12   20    5 o  285.597   3.1511 -3.377838 6.302130 
1 1 1   12   20    6 o  210.434   2.6193 -3.638550 5.238568 
1 1 1   12   20    7 f  173.074   2.8678 0.6513672 5.735601 
1 1 1   12   20    8 o  153.028   3.2989 3.506622 6.597765 
1 1 1   12   20    9 o  400.078   2.7753 0.1310425 5.550679 
1 1 1   12   20   10 o  217.507   4.4294      ?      ? 
1 1 1   12   20   11 o  246.638   2.5788 0.7707214E-01 5.157679 
1 1 1   12   20   12 o   62.395   7.6928 7.343250 15.38553 
1 1 1   12   20   13 o   54.087   8.9746 1.862881 17.94911 
1 1 1   12   20   14 o   69.338   10.825 -11.61225 21.64980 
1 1 1   12   20   15 o  169.948   3.1335 -4.730103 6.267066 
1 1 1   12   20   16 o  114.146   4.6448 -6.931396 9.289631 
1 1 1   12   20   17 o  268.802   2.3345 -3.938568 4.669038 
1 1 1   12   20   18 o   94.504   4.1669 0.2975388 8.333892 
1 1 1   12   20   19 o  188.567   2.5175 -1.762512 5.035086 
1 1 1   12   20   20 o   70.932   5.4672 -9.827011 10.93439 
1 1 1   12   20   21 o   82.714   4.4913 -2.455833 8.982572 
1 1 1   12   20   22 o   81.498   4.8073 9.991653 9.614628 
1 1 1   12   20   23 o  154.861   3.1009 7.436539 6.201801 
1 1 1   12   20   24 o  177.052   2.8088 6.226868 5.617653 
1 1 1   12   20   25 o  107.803   4.0515 5.050697 8.102956 
1 1 1   12   20   26 o   96.723   4.5312 -2.018631 9.062361 
1 1 1   12   20   27 o  144.716   3.5058 3.192047 7.011611 
1 1 1   12   20   28 o  124.428   3.8581 7.637848 7.716197 
1 1 1   12   20   29 o   60.101   9.3101 -5.286663 18.62029 
1 1 1   12   20   30 o  123.729   3.9510 -2.630722 7.901934 
1 1 1   12   20   31 o   44.450   8.6561 7.854675 17.31225 
1 1 1   12   21    0 o  365.346   3.1876 0.000000 0.000000 
1 1 1   12   21    1 o  251.853   2.2031 -0.5229645 4.406255 
1 1 1   12   21    2 o  100.175   3.6791 3.180145 7.358200 
1 1 1   12   21    3 o  209.739   2.2911 10.22879 4.582238 
1 1 1   12   21    4 o   70.234   4.9350 -9.898315 9.870020 
1 1 1   12   21    5 o  140.993   3.4156 -0.1837158E-01 6.831227 
1 1 1   12   21    6 o  171.447   3.1953 3.852478 6.390531 
1 1 1   12   21    7 o  323.346   2.5028 16.93518 5.005578 
1 1 1   12   21    8 o  254.472   2.8978 -0.2690430 5.795628 
1 1 1   12   21    9 o   51.057   9.2837 3.060787 18.56743 
1 1 1   12   21   10 o  242.184   2.5408 1.592102 5.081536 
1 1 1   12   21   11 o   34.543   9.4567 7.821363 18.91333 
1 1 1   12   21   12 o  116.732   4.2700 3.362427 8.539991 
1 1 1   12   21   13 o  178.425   2.9263 1.328583 5.852698 
1 1 1   12   21   14 o   32.628   9.3952 3.125999 18.79047 
1 1 1   12   21   15 o   52.146   8.2053 38.14597 16.41068 
1 1 1   12   21   16 o  149.874   3.4570 13.53818 6.913942 
1 1 1   12   21   17 o  146.790   3.5061 -6.433319 7.012182 
1 1 1   12   21   18 o   91.478   4.1254 -9.487831 8.250724 
1 1 1   12   21   19 o   91.793   4.0526 0.8937378 8.105107 
1 1 1   12   21   20 o  198.336   2.2854 3.255966 4.570761 
1 1 1   12   21   21 o   78.206   4.5805 1.682251 9.161034 
1 1 1   12   21   22 o   66.584   6.2395 7.151440 12.47901 
1 1 1   12   21   23 o  185.706   2.6192 8.495468 5.238381 
1 1 1   12   21   24 f  124.245   3.4045 1.753616 6.809035 
1 1 1   12   21   25 o   71.180   5.6687 -2.324478 11.33741 
1 1 1   12   21   26 o   51.814   8.3075 6.566261 16.61501 
1 1 1   12   21   27 o  114.623   3.8068 6.544434 7.613593 
1 1 1   12   21   28 o   28.013   8.9716 -1.446924 17.94316 
1 1 1   12   21   29 f   49.048   8.8369 16.32202 17.67387 
1 1 1   12   21   30 o   30.945   8.8935 -13.06197 17.78698 
1 1 1   12   21   31 x  ?   ?       ?      ? 
1 1 1   12   22    0 o   76.271   9.0655 0.000000 0.000000 
1 1 1   12   22    1 o  229.594   2.7763 9.332611 5.552611 
1 1 1   12   22    2 o  128.364   3.8483 9.645287 7.696693 
1 1 1   12   22    3 o  278.493   2.8382 26.16205 5.676326 
1 1 1   12   22    4 o  285.441   2.1436 -7.299622 4.287158 
1 1 1   12   22    5 o   51.932   8.2537 -47.53597 16.50741 
1 1 1   12   22    6 o   26.952   8.4379 -0.1543827 16.87584 
1 1 1   12   22    7 o   92.184   5.1558 11.43548 10.31157 
1 1 1   12   22    8 o   71.092   6.8894 20.16117 13.77883 
1 1 1   12   22    9 o  279.596   2.5677 -7.735962 5.135376 
1 1 1   12   22   10 o  130.625   3.7904 -5.069473 7.580824 
1 1 1   12   22   11 o  233.369   2.6255 8.019653 5.251059 
1 1 1   12   22   12 o  142.613   3.4042 5.480774 6.808321 
1 1 1   12   22   13 o  261.026   2.5514 1.968903 5.102729 
1 1 1   12   22   14 o   87.169   5.5259 -2.600151 11.05171 
1 1 1   12   22   15 o  158.867   3.3443 -10.81902 6.688619 
1 1 1   12   22   16 o  128.600   3.7887 -0.5263519 7.577302 
1 1 1   12   22   17 o   81.447   5.7839 15.77055 11.56779 
1 1 1   12   22   18 o   28.526   8.6270 0.6158142 17.25409 
1 1 1   12   22   19 o   23.804   7.3514 11.45194 14.70286 
1 1 1   12   22   20 o   42.527   7.4723 25.24342 14.94455 
1 1 1   12   22   21 o   32.282   8.4158 1.997856 16.83158 
1 1 1   12   22   22 o  159.730   2.8020 -4.789398 5.603951 
1 1 1   12   22   23 o   34.507   8.5284 -4.733833 17.05672 
1 1 1   12   22   24 o  113.863   3.7015 4.033791 7.402905 
1 1 1   12   22   25 o   83.019   5.3244 -15.92533 10.64883 
1 1 1   12   22   26 o   28.782   8.5801 1.477644 17.16023 
1 1 1   12   22   27 o   78.503   5.8349 -0.9359207 11.66981 
1 1 1   12   22   28 o   64.943   7.2213 -8.938843 14.44251 
1 1 1   12   22   29 f   35.406   9.3955 -4.909599 18.79097 
1 1 1   12   22   30 o   35.981   9.6315 -15.61564 19.26298 
1 1 1   12   23    0 o   88.849   7.0856 0.000000 0.000000 
1 1 1   12   23    1 o  186.820   2.4361 1.706146 4.872144 
1 1 1   12   23    2 o  155.546   2.7734 3.488220 5.546828 
1 1 1   12   23    3 o  101.787   3.8491 4.774956 7.698121 
1 1 1   12   23    4 o  264.100   2.1035 -4.694672 4.206977 
1 1 1   12   23    5 o  317.198   2.5272 -2.560547 5.054375 
1 1 1   12   23    6 o  144.230   3.2954 1.220688 6.590726 
1 1 1   12   23    7 f   58.416   9.9396 -1.367599 19.87916 
1 1 1   12   23    8 f  150.671   3.3381 9.853561 6.676239 
1 1 1   12   23    9 o  142.729   3.4474 -10.32089 6.894818 
1 1 1   12   23   10 o  271.407   2.5349 12.08957 5.069708 
1 1 1   12   23   11 o  142.364   3.4276 0.5996094 6.855262 
1 1 1   12   23   12 o   67.718   7.1217 5.952225 14.24346 
1 1 1   12   23   13 o   45.052   9.4653 -18.58012 18.93060 
1 1 1   12   23   14 o  132.955   3.6721 0.9152527 7.344159 
1 1 1   12   23   15 o  115.160   3.9588 -10.04041 7.917646 
1 1 1   12   23   16 o   31.990   8.9200 6.772259 17.83999 
1 1 1   12   23   17 o   28.421   8.3930 -9.967775 16.78601 
1 1 1   12   23   18 o  149.588   3.0865 0.6927185 6.172961 
1 1 1   12   23   19 o   87.310   4.9821 -5.948837 9.964224 
1 1 1   12   23   20 o   24.821   7.5929 16.36551 15.18584 
1 1 1   12   23   21 o  116.095   3.4140 -2.680466 6.828059 
1 1 1   12   23   22 o  102.089   4.0424 -12.20033 8.084779 
1 1 1   12   23   23 o   76.448   5.1531 -12.92522 10.30613 
1 1 1   12   23   24 o   86.635   4.5793 16.91526 9.158542 
1 1 1   12   23   25 o   80.148   5.1026 -5.011017 10.20523 
1 1 1   12   23   26 o   91.677   4.6716 9.187576 9.343230 
1 1 1   12   23   27 o   75.165   5.6970 12.73191 11.39399 
1 1 1   12   23   28 o   36.929   8.7625 -24.93512 17.52494 
1 1 1   12   23   29 o   36.542   8.7882 14.82721 17.57637 
1 1 1   12   24    0 o  161.365   3.9138 0.000000 0.000000 
1 1 1   12   24    1 o  195.047   2.1681 -6.877365 4.336230 
1 1 1   12   24    2 o  131.102   3.0467 -10.75574 6.093425 
1 1 1   12   24    3 o  205.717   2.2658 -1.579041 4.531613 
1 1 1   12   24    4 o  138.900   3.4669 -0.5995178 6.933877 
1 1 1   12   24    5 o   44.256   7.7438 -20.72206 15.48762 
1 1 1   12   24    6 o  206.715   2.7271 0.5098267 5.454114 
1 1 1   12   24    7 o   87.519   5.5800 2.252586 11.15991 
1 1 1   12   24    8 o   46.932   9.2631 6.723179 18.52619 
1 1 1   12   24    9 o   73.750   6.2934 -11.95164 12.58672 
1 1 1   12   24   10 o  189.136   2.9328 5.141052 5.865662 
1 1 1   12   24   11 o  212.947   2.7723 0.6085510 5.544613 
1 1 1   12   24   12 o   35.765   9.4042 7.962168 18.80839 
1 1 1   12   24   13 o   78.584   5.6433 2.943298 11.28666 
1 1 1   12   24   14 o  141.399   3.2437 -2.748642 6.487402 
1 1 1   12   24   15 o  205.664   2.6750 6.109512 5.350003 
1 1 1   12   24   16 o  147.258   3.1890 2.430389 6.377966 
1 1 1   12   24   17 o  160.324   3.0781 -1.109406 6.156161 
1 1 1   12   24   18 o  104.816   4.2380 8.203522 8.476017 
1 1 1   12   24   19 o   85.576   5.3419 4.823990 10.68382 
1 1 1   12   24   20 o   83.628   3.9940 4.294685 7.988018 
1 1 1   12   24   21 o   31.360   8.3901 10.84752 16.78017 
1 1 1   12   24   22 o   44.865   7.6324 -19.36911 15.26475 
1 1 1   12   24   23 o  139.934   2.9375 1.010376 5.874969 
1 1 1   12   24   24 o   92.062   4.2034 6.366180 8.406838 
1 1 1   12   24   25 o   38.645   8.6373 15.91450 17.27461 
1 1 1   12   24   26 o   71.899   6.3903 15.12753 12.78062 
1 1 1   12   24   27 o   23.155   7.5648 -4.190781 15.12955 
1 1 1   12   24   28 o   27.274   8.3431 -11.16701 16.68626 
1 1 1   12   25    0 f  182.080   3.4470 0.000000 0.000000 
1 1 1   12   25    1 o   80.384   4.4350 -5.130241 8.870080 
1 1 1   12   25    2 o  253.144   1.9813 -2.500626 3.962684 
1 1 1   12   25    3 o   62.042   6.3913 -6.146893 12.78264 
1 1 1   12   25    4 o  297.934   2.1801 -6.904266 4.360129 
1 1 1   12   25    5 o   45.475   8.0117 -0.1016960 16.02339 
1 1 1   12   25    6 o  154.061   3.2813 2.157471 6.562608 
1 1 1   12   25    7 o   48.478   9.2087 5.255581 18.41739 
1 1 1   12   25    8 o   35.926   9.1692 -17.46006 18.33850 
1 1 1   12   25    9 o  173.110   3.7921 -4.579086 7.584152 
1 1 1   12   25   10 o  155.099   3.1111 -3.272079 6.222172 
1 1 1   12   25   11 o   47.113   8.9906 -2.179459 17.98120 
1 1 1   12   25   12 o   40.214   9.0325 13.85441 18.06492 
1 1 1   12   25   13 o   56.444   8.1096 -5.192123 16.21910 
1 1 1   12   25   14 o  165.722   3.0001 1.192856 6.000227 
1 1 1   12   25   15 o  107.546   4.0835 -10.55175 8.166912 
1 1 1   12   25   16 o   37.231   9.2585 2.960777 18.51701 
1 1 1   12   25   17 o   65.064   6.8029 -0.6606903 13.60589 
1 1 1   12   25   18 o   59.385   8.5076 -34.71155 17.01513 
1 1 1   12   25   19 o   33.479   9.2387 5.760374 18.47745 
1 1 1   12   25   20 o   99.044   4.9123 -4.564178 9.824550 
1 1 1   12   25   21 o   62.914   6.1358 -12.57688 12.27160 
1 1 1   12   25   22 o  175.174   2.5443 -4.868164 5.088551 
1 1 1   12   25   23 o  114.436   3.3275 -0.1472702 6.655087 
1 1 1   12   25   24 o  122.334   3.3292 4.497841 6.658460 
1 1 1   12   25   25 o   50.176   7.9750 -3.360062 15.94995 
1 1 1   12   25   26 o   28.871   8.3025 3.526173 16.60496 
1 1 1   12   25   27 o   48.318   8.4377 -3.672752 16.87538 
1 1 1   12   26    0 o  189.655   3.3435 0.000000 0.000000 
1 1 1   12   26    1 o   69.414   5.0281 -2.242920 10.05628 
1 1 1   12   26    2 o   64.861   5.4492 4.393864 10.89847 
1 1 1   12   26    3 o  352.858   2.3389 3.158630 4.677706 
1 1 1   12   26    4 o   89.170   4.6605 3.980400 9.321051 
1 1 1   12   26    5 o   63.236   5.8805 -5.895622 11.76091 
1 1 1   12   26    6 f  170.823   3.0675 -6.117905 6.135006 
1 1 1   12   26    7 o   59.617   9.7135 -1.974365 19.42690 
1 1 1   12   26    8 o   34.836   9.1476 -7.145676 18.29520 
1 1 1   12   26    9 o   59.116   7.4288 -4.934315 14.85763 
1 1 1   12   26   10 o   57.797   7.8461 2.275166 15.69227 
1 1 1   12   26   11 o   76.294   5.6809 -3.615952 11.36173 
1 1 1   12   26   12 o   91.681   4.8208 -3.206993 9.641676 
1 1 1   12   26   13 o   90.021   4.6429 -13.34429 9.285863 
1 1 1   12   26   14 o   43.039   8.8859 -3.931831 17.77172 
1 1 1   12   26   15 o   50.106   8.5546 -6.116489 17.10917 
1 1 1   12   26   16 o  129.912   3.5247 1.427414 7.049415 
1 1 1   12   26   17 o   37.185   9.0388 -14.07803 18.07770 
1 1 1   12   26   18 o  147.570   3.1717 7.476273 6.343339 
1 1 1   12   26   19 o   60.004   7.5594 9.895695 15.11878 
1 1 1   12   26   20 o   78.551   5.5092 -1.048462 11.01836 
1 1 1   12   26   21 o   50.181   8.6888 19.64805 17.37768 
1 1 1   12   26   22 o   44.793   7.7010 -16.42871 15.40193 
1 1 1   12   26   23 o   66.565   5.6415 -5.025520 11.28302 
1 1 1   12   26   24 o   38.892   8.3117 19.15991 16.62336 
1 1 1   12   26   25 f   33.946   8.7925 5.840553 17.58508 
1 1 1   12   26   26 o   28.396   7.3351 19.38267 14.67011 
1 1 1   12   27    0 o   17.871   8.6856 0.000000 0.000000 
1 1 1   12   27    1 o  109.935   3.2247 4.387154 6.449430 
1 1 1   12   27    2 o   62.172   5.4413 -5.542923 10.88257 
1 1 1   12   27    3 o   77.148   4.3844 -3.201523 8.768795 
1 1 1   12   27    4 o   33.028   8.1681 -19.52332 16.33619 
1 1 1   12   27    5 o   81.683   5.0458 11.23426 10.09158 
1 1 1   12   27    6 o  131.855   3.4766 -3.081985 6.953244 
1 1 1   12   27    7 o  130.055   3.5497 15.13251 7.099390 
1 1 1   12   27    8 o   81.246   5.2980 0.4579468 10.59604 
1 1 1   12   27    9 o  105.660   3.9852 -9.901093 7.970393 
1 1 1   12   27   10 f   37.267   9.0663 8.023014 18.13253 
1 1 1   12   27   11 o   79.592   5.2556 -7.783356 10.51112 
1 1 1   12   27   12 o  118.521   3.6072 -9.576485 7.214426 
1 1 1   12   27   13 o   25.028   7.9951 0.6682510 15.99027 
1 1 1   12   27   14 o  113.365   4.2311 9.275009 8.462211 
1 1 1   12   27   15 o   78.632   5.7650 5.205452 11.53003 
1 1 1   12   27   16 o   61.697   7.8274 17.75270 15.65481 
1 1 1   12   27   17 o  144.504   3.3612 3.221146 6.722399 
1 1 1   12   27   18 o   59.298   7.7276 8.401894 15.45510 
1 1 1   12   27   19 o   22.424   7.5045 -4.606915 15.00892 
1 1 1   12   27   20 o   58.020   8.1105 -5.025482 16.22090 
1 1 1   12   27   21 o   67.170   6.5065 -0.9478455 13.01298 
1 1 1   12   27   22 o   47.391   7.5248 -16.71452 15.04952 
1 1 1   12   27   23 o  116.237   3.2704 -4.389030 6.540713 
1 1 1   12   27   24 o   43.262   8.4192 -3.677433 16.83838 
1 1 1   12   27   25 o   18.359   6.3010 0.9452553 12.60209 
1 1 1   12   28    0 o  215.996   3.0501 0.000000 0.000000 
1 1 1   12   28    1 o   41.805   7.7030 10.25209 15.40609 
1 1 1   12   28    2 o   82.512   3.9735 5.795898 7.947096 
1 1 1   12   28    3 o   85.593   3.9216 0.7300186 7.843221 
1 1 1   12   28    4 o  179.623   2.3072 -4.302979 4.614390 
1 1 1   12   28    5 o   99.952   3.2422 -5.025658 6.484309 
1 1 1   12   28    6 o   15.571   5.4166 -1.558762 10.83320 
1 1 1   12   28    7 o   75.410   5.5200 -3.103928 11.03996 
1 1 1   12   28    8 o   66.957   6.5689 21.02297 13.13778 
1 1 1   12   28    9 o   43.891   8.9755 -14.94056 17.95100 
1 1 1   12   28   10 o   70.376   6.0727 6.384163 12.14530 
1 1 1   12   28   11 o   32.758   8.2547 -23.65185 16.50944 
1 1 1   12   28   12 o  106.131   4.0894 -1.922142 8.178834 
1 1 1   12   28   13 o  132.765   3.5068 -1.381302 7.013526 
1 1 1   12   28   14 o   72.985   5.9457 12.57344 11.89135 
1 1 1   12   28   15 o   92.041   4.8193 7.059860 9.638537 
1 1 1   12   28   16 o  126.398   3.6340 -3.818756 7.268008 
1 1 1   12   28   17 o   77.608   5.5665 5.803391 11.13300 
1 1 1   12   28   18 o   31.810   9.1684 -2.294161 18.33688 
1 1 1   12   28   19 o   81.891   5.6170 0.6060638 11.23409 
1 1 1   12   28   20 o   34.605   9.4097 -3.571766 18.81943 
1 1 1   12   28   21 o   49.532   9.3192 9.323029 18.63843 
1 1 1   12   28   22 o  146.331   3.3397 -3.415176 6.679310 
1 1 1   12   28   23 o   69.185   5.1258 -18.80421 10.25165 
1 1 1   12   28   24 o   58.423   6.8521 -47.73951 13.70423 
1 1 1   12   29    0 o   17.389   11.708 0.000000 0.000000 
1 1 1   12   29    1 o   80.040   4.1732 -5.649330 8.346404 
1 1 1   12   29    2 o  111.470   3.0391 6.639511 6.078115 
1 1 1   12   29    3 o  102.924   3.6545 -5.405212 7.308965 
1 1 1   12   29    4 o  138.375   2.5076 -1.146332 5.015195 
1 1 1   12   29    5 o  158.504   2.2597 -6.799225 4.519379 
1 1 1   12   29    6 o   85.786   3.9396 -4.505264 7.879110 
1 1 1   12   29    7 o   39.019   8.7285 -0.1236801 17.45706 
1 1 1   12   29    8 o   22.568   7.4356 8.398451 14.87125 
1 1 1   12   29    9 o  101.893   4.2329 0.3267670E-01 8.465832 
1 1 1   12   29   10 f  250.641   4.8847      ?      ? 
1 1 1   12   29   11 o   51.235   8.4573 -10.64383 16.91452 
1 1 1   12   29   12 o  102.581   4.5238 -8.846146 9.047673 
1 1 1   12   29   13 o   43.374   9.1509 -12.01571 18.30177 
1 1 1   12   29   14 o   54.933   8.1732 0.8578835 16.34633 
1 1 1   12   29   15 o   71.786   6.3787 6.572594 12.75743 
1 1 1   12   29   16 o   58.815   7.9233 17.35408 15.84668 
1 1 1   12   29   17 o   50.729   8.9278 18.13356 17.85557 
1 1 1   12   29   18 o   61.557   7.5836 -15.93592 15.16729 
1 1 1   12   29   19 o   67.780   6.7338 2.399384 13.46762 
1 1 1   12   29   20 o   56.191   8.1524 14.90723 16.30489 
1 1 1   12   29   21 f   36.030   9.3789 -3.613785 18.75784 
1 1 1   12   29   22 o   37.083   9.4336 -12.27929 18.86711 
1 1 1   12   29   23 o   47.043   6.8432 -52.29967 13.68645 
1 1 1   12   30    0 o   59.742   10.230 0.000000 0.000000 
1 1 1   12   30    1 o   78.423   4.3854 -10.27238 8.770720 
1 1 1   12   30    2 o   36.353   8.6290 30.92181 17.25798 
1 1 1   12   30    3 f   22.082   7.4029 -5.094767 14.80590 
1 1 1   12   30    4 o   93.550   3.7321 16.15236 7.464171 
1 1 1   12   30    5 f   76.602   5.0423 -8.491562 10.08454 
1 1 1   12   30    6 o  159.639   2.7130 3.829620 5.425956 
1 1 1   12   30    7 f  151.158   3.1458 15.97972 6.291584 
1 1 1   12   30    8 o   72.171   5.7533 23.14531 11.50665 
1 1 1   12   30    9 o   42.136   8.9230 1.726494 17.84595 
1 1 1   12   30   10 o   36.586   9.0478 -3.620995 18.09567 
1 1 1   12   30   11 f   54.554   7.9964 -22.00256 15.99272 
1 1 1   12   30   12 o   35.363   8.9449 -12.80124 17.88981 
1 1 1   12   30   13 o   88.936   4.7830 -5.423630 9.566005 
1 1 1   12   30   14 o   27.634   8.4780 4.697277 16.95609 
1 1 1   12   30   15 o  123.566   3.6696 6.031097 7.339271 
1 1 1   12   30   16 o   25.960   8.1584 -7.046026 16.31683 
1 1 1   12   30   17 o   29.145   8.4789 11.53786 16.95781 
1 1 1   12   30   18 o   59.145   8.0299 -0.8640480 16.05989 
1 1 1   12   30   19 f   21.793   7.3076 4.377457 14.61530 
1 1 1   12   30   20 o   31.381   8.8437 15.07541 17.68744 
1 1 1   12   30   21 o   30.581   8.9084 7.802692 17.81688 
1 1 1   12   31    0 o   32.291   10.622 0.000000 0.000000 
1 1 1   12   31    1 o  100.077   3.4945 -0.2986984 6.988998 
1 1 1   12   31    2 o   34.438   8.6264 -6.093561 17.25272 
1 1 1   12   31    3 o   73.107   4.5777 -5.862968 9.155372 
1 1 1   12   31    4 o   48.402   7.0664 -7.624523 14.13271 
1 1 1   12   31    5 o   64.664   5.0330 -11.04644 10.06591 
1 1 1   12   31    6 x  ?   ?       ?      ? 
1 1 1   12   31    7 o   35.054   7.5671 -13.14418 15.13424 
1 1 1   12   31    8 o   19.193   6.6336 3.203741 13.26712 
1 1 1   12   31    9 o   76.983   5.4488 0.7945175 10.89758 
1 1 1   12   31   10 o  104.966   4.2155 -17.12639 8.430917 
1 1 1   12   31   11 o   49.299   9.0757 0.6457138 18.15139 
1 1 1   12   31   12 f   34.951   8.9468 -15.21582 17.89366 
1 1 1   12   31   13 o   33.829   9.0043 -14.21866 18.00859 
1 1 1   12   31   14 o   35.396   9.0841 14.31533 18.16820 
1 1 1   12   31   15 f   81.408   5.5774 -4.345596 11.15472 
1 1 1   12   31   16 o   26.856   8.2531 11.56829 16.50611 
1 1 1   12   31   17 o   85.896   5.5546 9.719559 11.10926 
1 1 1   12   31   18 o   68.802   6.6457 0.9374924 13.29132 
1 1 1   12   31   19 o   28.343   8.6100 -7.819588 17.22009 
1 1 1   12   31   20 o   30.845   8.5036 -22.32988 17.00716 
1 1 1   12   32    0 o   32.753   11.583 0.000000 0.000000 
1 1 1   12   32    1 o   59.630   5.6657 -5.493118 11.33130 
1 1 1   12   32    2 o   63.374   5.4644 15.45098 10.92876 
1 1 1   12   32    3 o   72.727   4.6322 10.13339 9.264384 
1 1 1   12   32    4 o   26.261   7.5400 3.869566 15.07997 
1 1 1   12   32    5 f   80.055   4.1099 5.474243 8.219827 
1 1 1   12   32    6 o   20.959   6.7764 -5.963484 13.55281 
1 1 1   12   32    7 o   23.488   7.1166 -14.07262 14.23315 
1 1 1   12   32    8 o   85.184   5.4346 16.43695 10.86915 
1 1 1   12   32    9 o   39.321   8.4374 -18.87835 16.87477 
1 1 1   12   32   10 o   41.060   9.2569 -3.597023 18.51388 
1 1 1   12   32   11 o   53.083   8.2221 11.67371 16.44416 
1 1 1   12   32   12 o   30.154   8.7421 -2.672955 17.48423 
1 1 1   12   32   13 o  108.112   4.2147 9.638039 8.429367 
1 1 1   12   32   14 o   33.028   8.9051 -16.14250 17.81013 
1 1 1   12   32   15 o   40.119   9.2792 -14.93253 18.55832 
1 1 1   12   32   16 f   98.066   4.5724 -21.71275 9.144740 
1 1 1   12   32   17 o   33.699   9.0642 -10.61674 18.12837 
1 1 1   12   32   18 o   26.112   8.2829 -3.638403 16.56581 
1 1 1   12   33    0 o   23.911   10.651 0.000000 0.000000 
1 1 1   12   33    1 f   61.968   5.9939 -13.62375 11.98785 
1 1 1   12   33    2 o   21.314   6.7951 8.008745 13.59024 
1 1 1   12   33    3 o   39.631   7.8733 4.338425 15.74659 
1 1 1   12   33    4 o   58.116   5.6232 -4.060360 11.24639 
1 1 1   12   33    5 o   24.225   7.3776 -2.891909 14.75515 
1 1 1   12   33    6 o   51.192   6.7296 -0.8883324 13.45924 
1 1 1   12   33    7 o   45.425   7.0718 17.31004 14.14351 
1 1 1   12   33    8 o   33.675   7.8029 -2.564938 15.60574 
1 1 1   12   33    9 o   27.558   8.7449 15.08097 17.48978 
1 1 1   12   33   10 o   81.919   5.7204 -21.16636 11.44089 
1 1 1   12   33   11 o   24.006   7.8105 3.264162 15.62100 
1 1 1   12   33   12 o   28.026   8.5260 -1.969265 17.05208 
1 1 1   12   33   13 o   29.109   8.5239 11.53140 17.04782 
1 1 1   12   33   14 o   46.022   8.5398 -20.83979 17.07956 
1 1 1   12   33   15 o   39.411   8.8685 21.61090 17.73708 
1 1 1   12   33   16 o   45.752   10.361 6.485718 20.72227 
1 1 1   12   34    0 o   33.714   10.157 0.000000 0.000000 
1 1 1   12   34    1 o   25.952   7.5858 9.569021 15.17165 
1 1 1   12   34    2 o   35.205   8.0100 13.19737 16.02009 
1 1 1   12   34    3 o   20.828   6.8305 3.631546 13.66105 
1 1 1   12   34    4 o   20.961   6.8269 -0.2361012 13.65382 
1 1 1   12   34    5 o   25.148   7.5714 -5.408548 15.14289 
1 1 1   12   34    6 o   26.694   7.6740 4.180134 15.34795 
1 1 1   12   34    7 o   79.133   4.3667 4.838348 8.733409 
1 1 1   12   34    8 o   91.060   3.5475 -3.305054 7.095044 
1 1 1   12   34    9 o   75.223   5.7938 10.16309 11.58757 
1 1 1   12   34   10 o   33.719   9.2373 5.974335 18.47453 
1 1 1   12   34   11 o   56.135   7.7282 -33.55580 15.45643 
1 1 1   12   34   12 o   46.586   8.9907 -2.766979 17.98146 
1 1 1   12   34   13 o   37.617   9.2186 2.606888 18.43722 
1 1 1   12   34   14 o   19.336   6.7637 1.062805 13.52746 
1 1 1   12   35    0 o   21.070   10.126 0.000000 0.000000 
1 1 1   12   35    1 o   42.101   8.0840 11.67608 16.16796 
1 1 1   12   35    2 o   38.006   8.2305 8.778137 16.46093 
1 1 1   12   35    3 o   50.991   7.1021 0.5888901 14.20430 
1 1 1   12   35    4 o   24.673   7.4427 5.229208 14.88547 
1 1 1   12   35    5 o   30.633   8.2737 -6.431282 16.54732 
1 1 1   12   35    6 o   35.378   8.0381 11.44527 16.07625 
1 1 1   12   35    7 o   66.188   5.0980 1.419800 10.19602 
1 1 1   12   35    8 o   55.441   6.4783 -31.47792 12.95669 
1 1 1   12   35    9 o   30.609   8.8597 6.899776 17.71938 
1 1 1   12   35   10 o   30.079   8.7683 -16.43316 17.53661 
1 1 1   12   35   11 o   19.264   6.7229 2.553005 13.44573 
1 1 1   12   36    0 o   28.781   11.664 0.000000 0.000000 
1 1 1   12   36    1 o   25.379   7.5311 -7.317446 15.06217 
1 1 1   12   36    2 o   31.223   8.4818 12.58641 16.96364 
1 1 1   12   36    3 o   21.403   6.8849 -5.765511 13.76973 
1 1 1   12   36    4 o   22.183   7.0898 -4.078339 14.17954 
1 1 1   12   36    5 o   50.443   7.2905 15.06169 14.58093 
1 1 1   12   36    6 o   28.256   8.2982 15.50803 16.59638 
1 1 1   12   36    7 o   19.125   6.5024 -7.568504 13.00474 
1 1 1   13    0    1 o  106.295   1.7807 0.000000 0.000000 
1 1 1   13    0    2 o   34.257   5.7614 0.000000 0.000000 
1 1 1   13    0    3 o  262.092   2.0868 0.000000 0.000000 
1 1 1   13    0    4 o  460.964   3.4517 0.000000 0.000000 
1 1 1   13    0    5 o   17.198   6.8711 0.000000 0.000000 
1 1 1   13    0    6 o   62.137   3.4243 0.000000 0.000000 
1 1 1   13    0    7 o   71.628   2.9832 0.000000 0.000000 
1 1 1   13    0    8 o  268.021   2.2046 0.000000 0.000000 
1 1 1   13    0    9 o   91.775   3.4727 0.000000 0.000000 
1 1 1   13    0   10 f  640.730   4.7752 0.000000 0.000000 
1 1 1   13    0   11 o  175.771   2.9982 0.000000 0.000000 
1 1 1   13    0   12 f   67.696   4.5445 0.000000 0.000000 
1 1 1   13    0   13 o  388.015   3.0425 0.000000 0.000000 
1 1 1   13    0   14 f   49.777   7.9036 0.000000 0.000000 
1 1 1   13    0   15 o  332.687   2.7510 0.000000 0.000000 
1 1 1   13    0   16 f  138.083   3.1167 0.000000 0.000000 
1 1 1   13    0   17 o  107.835   5.1529 0.000000 0.000000 
1 1 1   13    0   18 o   19.426   9.4862 0.000000 0.000000 
1 1 1   13    0   19 o   40.503   12.879 0.000000 0.000000 
1 1 1   13    0   20 x  ?   ?       ?      ? 
1 1 1   13    0   21 o   16.167   8.3590 0.000000 0.000000 
1 1 1   13    0   22 o  614.213   5.8355 0.000000 0.000000 
1 1 1   13    0   23 o  470.546   4.4461 0.000000 0.000000 
1 1 1   13    0   24 f  178.750   4.7543 0.000000 0.000000 
1 1 1   13    0   25 o   25.480   11.974 0.000000 0.000000 
1 1 1   13    0   26 o   35.970   13.431 0.000000 0.000000 
1 1 1   13    0   27 o  232.659   3.9011 0.000000 0.000000 
1 1 1   13    0   28 o   34.961   13.897 0.000000 0.000000 
1 1 1   13    0   29 o  175.638   5.0180 0.000000 0.000000 
1 1 1   13    0   30 o  297.096   3.7141 0.000000 0.000000 
1 1 1   13    0   31 o   54.112   12.549 0.000000 0.000000 
1 1 1   13    0   32 o  123.528   6.4227 0.000000 0.000000 
1 1 1   13    0   33 o   20.323   10.229 0.000000 0.000000 
1 1 1   13    0   34 o   24.934   11.733 0.000000 0.000000 
1 1 1   13    0   35 o   29.351   13.046 0.000000 0.000000 
1 1 1   13    0   36 o   22.775   11.205 0.000000 0.000000 
1 1 1   13    0   37 o   82.295   9.7743 0.000000 0.000000 
1 1 1   13    1    0 f  457.545   3.4221 0.000000 0.000000 
1 1 1   13    1    1 o   92.152   1.4059 0.2487183E-01 2.811766 
1 1 1   13    1    2 o  100.817   1.3175 -2.455727 2.635063 
1 1 1   13    1    3 o  104.863   1.3204 2.249344 2.640859 
1 1 1   13    1    4 o  354.868   1.9111 -1.646820 3.822195 
1 1 1   13    1    5 o  419.949   2.2358 1.506927 4.471656 
1 1 1   13    1    6 o  564.910   2.9766 -6.797791 5.953131 
1 1 1   13    1    7 o  289.378   1.6308 2.819885 3.261650 
1 1 1   13    1    8 o  228.424   1.4334 -0.1135254E-01 2.866730 
1 1 1   13    1    9 o  423.777   2.4564 0.1862183 4.912779 
1 1 1   13    1   10 o  300.289   1.7282 -1.256683 3.456347 
1 1 1   13    1   11 o  210.774   1.4932 0.2845306 2.986337 
1 1 1   13    1   12 f  425.989   2.3099 -1.904175 4.619775 
1 1 1   13    1   13 o  222.678   1.5920 -0.5218506E-02 3.184062 
1 1 1   13    1   14 o  138.746   1.9554 -1.082352 3.910712 
1 1 1   13    1   15 o  415.343   2.3005 -0.7600098 4.600945 
1 1 1   13    1   16 o  214.254   1.9419 -2.166321 3.883739 
1 1 1   13    1   17 o  368.945   2.1565 -5.379974 4.313068 
1 1 1   13    1   18 o  300.532   2.8876 19.59518 5.775214 
1 1 1   13    1   19 o  440.658   2.7585 7.624512 5.517076 
1 1 1   13    1   20 o  700.636   7.6382      ?      ? 
1 1 1   13    1   21 o  285.540   2.3580 -2.986053 4.716005 
1 1 1   13    1   22 o  353.344   3.4442 33.19379 6.888371 
1 1 1   13    1   23 o  313.962   2.4153 0.7694702 4.830565 
1 1 1   13    1   24 o  106.492   4.8373 0.1596603 9.674547 
1 1 1   13    1   25 o  133.510   3.9523 17.12261 7.904524 
1 1 1   13    1   26 o  230.789   2.6286 1.322601 5.257206 
1 1 1   13    1   27 o   99.327   5.0602 3.627457 10.12030 
1 1 1   13    1   28 o  124.125   3.8552 4.957016 7.710455 
1 1 1   13    1   29 o  252.031   2.4057 -2.866364 4.811481 
1 1 1   13    1   30 o   29.896   8.8542 5.238325 17.70835 
1 1 1   13    1   31 f   73.877   8.3408 40.99461 16.68152 
1 1 1   13    1   32 o  130.221   3.6619 8.480713 7.323870 
1 1 1   13    1   33 o   57.018   8.5418 -8.688663 17.08353 
1 1 1   13    1   34 o   63.075   7.3049 -8.274231 14.60979 
1 1 1   13    1   35 o   34.745   9.6059 -7.774048 19.21188 
1 1 1   13    1   36 o   52.981   9.1991 3.782475 18.39830 
1 1 1   13    1   37 o   31.710   8.5107 10.30646 17.02148 
1 1 1   13    2    0 o   26.504   6.7544 0.000000 0.000000 
1 1 1   13    2    1 o  222.733   1.3124 0.9407501 2.624737 
1 1 1   13    2    2 o   66.883   1.8189 2.895523 3.637729 
1 1 1   13    2    3 o   78.023   1.7619 -1.337891 3.523867 
1 1 1   13    2    4 o  233.689   1.3679 1.680771 2.735900 
1 1 1   13    2    5 o  222.453   1.4524 -1.123581 2.904834 
1 1 1   13    2    6 o  411.286   2.1962 -1.942780 4.392343 
1 1 1   13    2    7 o  215.685   1.4607 -2.964203 2.921384 
1 1 1   13    2    8 o  101.653   1.7309 2.345055 3.461712 
1 1 1   13    2    9 o   58.819   3.2526 -6.234173 6.505274 
1 1 1   13    2   10 o  533.929   3.0598 -0.1345825 6.119598 
1 1 1   13    2   11 o  332.352   1.8740 3.536377 3.748089 
1 1 1   13    2   12 o  251.390   1.6037 -0.1071014 3.207337 
1 1 1   13    2   13 o  297.915   1.7808 1.482208 3.561535 
1 1 1   13    2   14 o  466.454   2.5259 2.261810 5.051700 
1 1 1   13    2   15 o  318.044   2.0702 -4.660736 4.140332 
1 1 1   13    2   16 o   59.138   4.9896 4.251724 9.979300 
1 1 1   13    2   17 o  434.221   2.4271 4.655060 4.854226 
1 1 1   13    2   18 o  271.447   3.6385      ?      ? 
1 1 1   13    2   19 o  222.169   2.2007 0.3941040 4.401432 
1 1 1   13    2   20 o  289.828   2.9947 -5.937073 5.989478 
1 1 1   13    2   21 o  185.903   2.7349 -5.381516 5.469832 
1 1 1   13    2   22 o  267.641   2.9238 3.366943 5.847602 
1 1 1   13    2   23 o  218.767   2.7121 2.478638 5.424267 
1 1 1   13    2   24 o  171.163   3.1839 -3.667480 6.367737 
1 1 1   13    2   25 o  152.540   3.5557 5.546661 7.111356 
1 1 1   13    2   26 o  125.513   4.0225 -3.988220 8.044977 
1 1 1   13    2   27 o  119.471   4.3036 0.2331467 8.607280 
1 1 1   13    2   28 o   36.667   9.5990 2.026474 19.19804 
1 1 1   13    2   29 o   42.799   9.5468 -4.868626 19.09356 
1 1 1   13    2   30 o  121.148   3.9040 -10.21576 7.807995 
1 1 1   13    2   31 o  124.647   3.9328 2.309608 7.865667 
1 1 1   13    2   32 o   82.077   5.7943 12.56733 11.58865 
1 1 1   13    2   33 o   74.308   6.3750 16.92864 12.74992 
1 1 1   13    2   34 o   75.956   6.3759 -9.651505 12.75173 
1 1 1   13    2   35 o   30.753   8.9873 6.385098 17.97463 
1 1 1   13    2   36 o   79.330   5.9847 8.096802 11.96936 
1 1 1   13    2   37 o   61.643   7.9330 38.21317 15.86606 
1 1 1   13    3    0 o  191.591   1.7068 0.000000 0.000000 
1 1 1   13    3    1 o  200.390   1.2383 -0.1844482 2.476520 
1 1 1   13    3    2 o  343.903   1.8527 1.452271 3.705351 
1 1 1   13    3    3 o  326.711   1.7716 1.359985 3.543249 
1 1 1   13    3    4 o  376.517   2.1764 5.703918 4.352898 
1 1 1   13    3    5 o  521.299   2.7507 -2.089844 5.501488 
1 1 1   13    3    6 o   45.333   3.1529 -6.131729 6.305835 
1 1 1   13    3    7 o  122.810   1.3957 -4.060722 2.791365 
1 1 1   13    3    8 o  358.650   2.3962 -6.352356 4.792300 
1 1 1   13    3    9 o  132.564   1.5327 3.321671 3.065331 
1 1 1   13    3   10 o  269.441   1.7554 -4.355774 3.510864 
1 1 1   13    3   11 o  625.440   3.3010 0.8161011 6.602012 
1 1 1   13    3   12 f  412.333   2.4309 -5.266876 4.861830 
1 1 1   13    3   13 f   27.861   7.1583 -2.287310 14.31659 
1 1 1   13    3   14 o  669.312   3.5381 2.103455 7.076147 
1 1 1   13    3   15 o  263.116   2.1731 14.47531 4.346247 
1 1 1   13    3   16 o  576.787   3.0866 -5.185486 6.173147 
1 1 1   13    3   17 o  329.130   2.2127 4.289764 4.425442 
1 1 1   13    3   18 o  507.538   3.9397 36.44260 7.879392 
1 1 1   13    3   19 o  260.294   2.2356 9.212769 4.471260 
1 1 1   13    3   20 o  163.600   3.4699 -17.92673 6.939752 
1 1 1   13    3   21 o  235.944   2.4429 3.887344 4.885831 
1 1 1   13    3   22 o  287.609   2.4356 6.962067 4.871150 
1 1 1   13    3   23 o  153.881   3.2905 1.260696 6.581080 
1 1 1   13    3   24 o  138.163   3.9796 -2.075638 7.959164 
1 1 1   13    3   25 o  192.972   2.9088 1.643417 5.817638 
1 1 1   13    3   26 o  205.499   2.7421 8.188431 5.484124 
1 1 1   13    3   27 o  285.667   2.4247 1.026123 4.849327 
1 1 1   13    3   28 o  139.639   3.4401 -0.8723145 6.880234 
1 1 1   13    3   29 o   96.935   4.9435 6.059906 9.886996 
1 1 1   13    3   30 o  118.186   3.9813 -7.524307 7.962628 
1 1 1   13    3   31 o  101.066   5.8123 -18.38783 11.62466 
1 1 1   13    3   32 o  135.910   3.5628 -9.086365 7.125689 
1 1 1   13    3   33 o   84.103   5.7377 -0.4553070 11.47532 
1 1 1   13    3   34 o   42.333   9.0477 19.03401 18.09544 
1 1 1   13    3   35 o   40.219   9.6155 13.36182 19.23093 
1 1 1   13    3   36 o   60.652   8.0765 -0.4378166 16.15304 
1 1 1   13    3   37 o   74.858   5.6087 18.00805 11.21746 
1 1 1   13    4    0 o  295.843   2.2974 0.000000 0.000000 
1 1 1   13    4    1 o   82.753   1.5122 0.5491867 3.024427 
1 1 1   13    4    2 o  157.193   1.2740 5.599457 2.548085 
1 1 1   13    4    3 o  119.917   1.3347 -2.553085 2.669357 
1 1 1   13    4    4 o  286.734   1.5960 -3.098999 3.191995 
1 1 1   13    4    5 o  209.865   1.4133 2.264053 2.826630 
1 1 1   13    4    6 o  351.211   2.0601 -3.203339 4.120138 
1 1 1   13    4    7 o  108.606   1.5492 -5.821175 3.098325 
1 1 1   13    4    8 o  634.654   3.3407 -5.275146 6.681462 
1 1 1   13    4    9 o  568.021   3.0024 5.329834 6.004887 
1 1 1   13    4   10 o  410.854   2.4000 2.581024 4.800085 
1 1 1   13    4   11 o  699.699   3.9781 6.057068 7.956184 
1 1 1   13    4   12 o  381.091   2.1053 0.4458923 4.210557 
1 1 1   13    4   13 o  692.251   3.6541 1.064026 7.308141 
1 1 1   13    4   14 o  279.271   1.8986 0.2908630 3.797139 
1 1 1   13    4   15 o  218.736   1.7564 -4.689484 3.512894 
1 1 1   13    4   16 o  307.646   1.9365 -1.009369 3.873062 
1 1 1   13    4   17 o  153.970   2.5852 -3.830109 5.170474 
1 1 1   13    4   18 o  124.265   3.8474 -7.182381 7.694816 
1 1 1   13    4   19 o  513.986   3.0649 -0.9887085 6.129787 
1 1 1   13    4   20 o  355.644   2.3842 2.021301 4.768378 
1 1 1   13    4   21 o  108.156   4.5147 1.437553 9.029391 
1 1 1   13    4   22 o  249.483   2.5436 -1.272995 5.087243 
1 1 1   13    4   23 o  264.409   2.4842 0.1688843 4.968394 
1 1 1   13    4   24 o  163.293   3.2556 6.530350 6.511260 
1 1 1   13    4   25 o   37.844   9.5932 12.39232 19.18631 
1 1 1   13    4   26 o   46.985   10.059 -9.893375 20.11737 
1 1 1   13    4   27 o  264.188   2.4364 -1.054230 4.872746 
1 1 1   13    4   28 o   50.807   9.1942 10.69160 18.38842 
1 1 1   13    4   29 o   60.327   7.8253 -21.74260 15.65057 
1 1 1   13    4   30 o   20.240   6.9993 -0.4598808E-01 13.99855 
1 1 1   13    4   31 o  108.232   4.3443 5.476120 8.688607 
1 1 1   13    4   32 o   84.803   5.6111 -8.122498 11.22220 
1 1 1   13    4   33 o   41.222   9.6785 -5.825325 19.35707 
1 1 1   13    4   34 o   41.810   9.6339 13.09061 19.26786 
1 1 1   13    4   35 o   64.534   7.7058 -18.59436 15.41152 
1 1 1   13    4   36 o   52.128   8.8573 -3.833130 17.71460 
1 1 1   13    4   37 o   32.515   9.0015 -5.087530 18.00309 
1 1 1   13    5    0 o  133.582   2.0083 0.000000 0.000000 
1 1 1   13    5    1 o  142.428   1.2445 5.701294 2.489088 
1 1 1   13    5    2 o   36.074   3.6291 -0.3041687 7.258101 
1 1 1   13    5    3 o  326.407   1.9139 -3.361481 3.827746 
1 1 1   13    5    4 o  338.401   1.8364 2.288879 3.672721 
1 1 1   13    5    5 o  156.478   1.2286 0.8297424 2.457196 
1 1 1   13    5    6 o  203.749   1.3283 0.3797913 2.656639 
1 1 1   13    5    7 o  197.259   1.3541 1.664627 2.708197 
1 1 1   13    5    8 o   72.373   2.3463 -8.354828 4.692576 
1 1 1   13    5    9 o  524.203   2.7811 -7.868225 5.562250 
1 1 1   13    5   10 o  502.663   2.8913 -1.073456 5.782622 
1 1 1   13    5   11 o  403.895   2.2056 3.419525 4.411249 
1 1 1   13    5   12 o  690.802   3.6417 0.7142944 7.283482 
1 1 1   13    5   13 o  414.091   2.2812 2.022491 4.562407 
1 1 1   13    5   14 o  191.349   1.7461 -2.347809 3.492199 
1 1 1   13    5   15 o  417.226   3.2853 -0.3140869 6.570579 
1 1 1   13    5   16 o  493.516   2.9064 -1.555969 5.812829 
1 1 1   13    5   17 o  238.230   2.6278 -14.59277 5.255688 
1 1 1   13    5   18 o  585.983   3.8923 8.522949 7.784594 
1 1 1   13    5   19 o  259.706   2.2749 4.034149 4.549888 
1 1 1   13    5   20 o  462.574   2.8502 0.8741760 5.700325 
1 1 1   13    5   21 o  177.777   2.9480 1.810333 5.895961 
1 1 1   13    5   22 o   45.261   9.8885 8.213291 19.77708 
1 1 1   13    5   23 f  187.675   2.8636 -0.7586670 5.727102 
1 1 1   13    5   24 o   23.151   7.8120 6.693134 15.62406 
1 1 1   13    5   25 o  229.916   2.6413 0.6826172 5.282563 
1 1 1   13    5   26 o  179.549   3.0839 -6.350494 6.167784 
1 1 1   13    5   27 o   95.293   5.0752 8.810326 10.15049 
1 1 1   13    5   28 o  173.024   2.9560 0.7982788 5.911902 
1 1 1   13    5   29 f  132.210   3.7048 -4.100998 7.409519 
1 1 1   13    5   30 o   23.974   7.9149 -0.4247761 15.82972 
1 1 1   13    5   31 f  127.423   3.8233 -8.149864 7.646500 
1 1 1   13    5   32 o   30.180   8.9186 -1.952518 17.83711 
1 1 1   13    5   33 o   74.809   7.3911 94.36225 14.78225 
1 1 1   13    5   34 o  103.977   4.5741 10.00475 9.148268 
1 1 1   13    5   35 o   87.693   5.6790 -0.5083618 11.35802 
1 1 1   13    5   36 o  110.090   4.2499 1.306770 8.499788 
1 1 1   13    5   37 x  ?   ?       ?      ? 
1 1 1   13    6    0 o  772.351   5.7285 0.000000 0.000000 
1 1 1   13    6    1 o  255.885   1.4522 -0.2090912 2.904321 
1 1 1   13    6    2 o  249.702   1.4313 -0.7819672 2.862502 
1 1 1   13    6    3 o  460.585   2.4392 2.494324 4.878455 
1 1 1   13    6    4 f  306.182   1.6898 1.181793 3.379676 
1 1 1   13    6    5 o  430.951   2.2972 9.419861 4.594303 
1 1 1   13    6    6 o  176.210   1.3986 -9.337219 2.797146 
1 1 1   13    6    7 o  347.902   1.9061 -4.673828 3.812136 
1 1 1   13    6    8 o  225.962   1.6334 -3.813492 3.266725 
1 1 1   13    6    9 o  602.392   3.1786 -0.3102417 6.357234 
1 1 1   13    6   10 o  250.984   1.6964 0.9684906 3.392856 
1 1 1   13    6   11 o  160.932   1.6043 -3.876358 3.208675 
1 1 1   13    6   12 o  442.914   2.4075 2.505463 4.815029 
1 1 1   13    6   13 f  268.491   1.8881 2.833374 3.776222 
1 1 1   13    6   14 o  290.661   1.8204 0.2773743 3.640838 
1 1 1   13    6   15 o  300.874   1.8838 0.1704407 3.767538 
1 1 1   13    6   16 o  449.635   2.5893 1.421387 5.178588 
1 1 1   13    6   17 o  348.862   3.0582 0.3187256 6.116411 
1 1 1   13    6   18 o   71.206   5.6111 11.27559 11.22229 
1 1 1   13    6   19 o  418.281   3.1937 -29.73459 6.387467 
1 1 1   13    6   20 f  138.412   3.4522 -2.024231 6.904356 
1 1 1   13    6   21 f  141.582   4.4193 8.786743 8.838581 
1 1 1   13    6   22 f  121.330   4.1532 6.003601 8.306496 
1 1 1   13    6   23 o  280.228   2.4360 -0.7354736 4.871941 
1 1 1   13    6   24 o  136.472   3.8384 -2.632217 7.676894 
1 1 1   13    6   25 o   47.979   9.7389 14.04777 19.47775 
1 1 1   13    6   26 f   54.767   9.0637 4.647015 18.12736 
1 1 1   13    6   27 o  118.975   4.2311 -9.370880 8.462130 
1 1 1   13    6   28 o   81.213   5.7381 2.596985 11.47618 
1 1 1   13    6   29 o   64.605   7.3710 15.37557 14.74197 
1 1 1   13    6   30 f   23.949   7.8403 7.953459 15.68067 
1 1 1   13    6   31 o   87.633   5.3766 16.12191 10.75320 
1 1 1   13    6   32 o   97.076   4.7040 4.196060 9.407941 
1 1 1   13    6   33 o   50.979   8.9148 15.00031 17.82958 
1 1 1   13    6   34 o   86.255   5.7782 1.243263 11.55632 
1 1 1   13    6   35 o   57.618   8.5961 -0.7348213 17.19225 
1 1 1   13    6   36 o   63.189   7.0428 8.550301 14.08566 
1 1 1   13    7    0 o  392.169   2.9603 0.000000 0.000000 
1 1 1   13    7    1 o  253.751   1.4496 0.6474609 2.899227 
1 1 1   13    7    2 o  276.142   1.5485 1.872864 3.096959 
1 1 1   13    7    3 o  139.863   1.2292 2.048492 2.458385 
1 1 1   13    7    4 o  453.667   2.6026 2.242737 5.205199 
1 1 1   13    7    5 o  290.919   1.6351 -6.352783 3.270185 
1 1 1   13    7    6 o  359.664   2.1064 -1.798431 4.212857 
1 1 1   13    7    7 o  344.389   1.8945 -3.827484 3.788951 
1 1 1   13    7    8 o  407.397   2.3709 0.6197510 4.741767 
1 1 1   13    7    9 o  244.510   1.5396 -2.125153 3.079118 
1 1 1   13    7   10 f  408.847   2.3986 2.422150 4.797287 
1 1 1   13    7   11 o  347.516   2.1275 -0.2975769 4.254909 
1 1 1   13    7   12 o  266.128   1.7050 5.099274 3.410020 
1 1 1   13    7   13 o  467.557   2.5405 -3.235931 5.081003 
1 1 1   13    7   14 o  508.722   2.7447 5.312683 5.489381 
1 1 1   13    7   15 o  113.815   2.8758 4.010284 5.751551 
1 1 1   13    7   16 o  523.837   2.9527 6.871643 5.905473 
1 1 1   13    7   17 o  623.240   3.4486 -14.21881 6.897242 
1 1 1   13    7   18 o  276.707   2.2693 -2.134155 4.538501 
1 1 1   13    7   19 o  267.496   2.3971 -4.880951 4.794187 
1 1 1   13    7   20 o   55.579   8.3435 6.012100 16.68693 
1 1 1   13    7   21 o  313.056   2.8076 -3.896912 5.615159 
1 1 1   13    7   22 o   85.351   5.7108 -0.3518448 11.42162 
1 1 1   13    7   23 o  274.738   2.6176 16.29648 5.235199 
1 1 1   13    7   24 o  123.367   4.0946 5.243881 8.189152 
1 1 1   13    7   25 o   95.115   5.3641 3.345589 10.72828 
1 1 1   13    7   26 o  170.415   3.0347 -1.599686 6.069396 
1 1 1   13    7   27 o  140.433   3.4558 -0.4184570 6.911593 
1 1 1   13    7   28 o   63.749   7.8449 -17.39224 15.68986 
1 1 1   13    7   29 o   73.863   6.3714 -9.091263 12.74290 
1 1 1   13    7   30 o  105.944   6.0666 -25.86608 12.13330 
1 1 1   13    7   31 o   40.351   9.6276 -4.503193 19.25519 
1 1 1   13    7   32 o   63.928   7.3634 -7.728428 14.72682 
1 1 1   13    7   33 o   49.562   9.2067 7.589329 18.41340 
1 1 1   13    7   34 o   73.304   6.5079 -5.442047 13.01589 
1 1 1   13    7   35 o   38.492   9.7251 7.862003 19.45017 
1 1 1   13    7   36 o   66.854   6.5667 9.846210 13.13344 
1 1 1   13    8    0 o  115.786   2.1676 0.000000 0.000000 
1 1 1   13    8    1 o  274.065   1.7773 3.192566 3.554682 
1 1 1   13    8    2 o  455.178   3.1106 8.864532 6.221233 
1 1 1   13    8    3 o  332.409   1.9587 -6.227417 3.917489 
1 1 1   13    8    4 o  127.382   1.3620 4.808578 2.724091 
1 1 1   13    8    5 o  325.472   1.7943 1.909912 3.588672 
1 1 1   13    8    6 o  276.205   1.5993 -1.815643 3.198559 
1 1 1   13    8    7 o  304.594   1.7266 -1.350861 3.453206 
1 1 1   13    8    8 o  288.982   1.8023 -2.684448 3.604603 
1 1 1   13    8    9 o   43.133   4.8854 15.06999 9.770756 
1 1 1   13    8   10 o  234.240   1.6715 -2.014130 3.343021 
1 1 1   13    8   11 o  189.655   1.5675 7.063858 3.135086 
1 1 1   13    8   12 o  400.733   2.2255 -2.327179 4.451004 
1 1 1   13    8   13 o  288.305   1.8089 -2.280304 3.617728 
1 1 1   13    8   14 o   58.496   4.9234 -0.2954330 9.846745 
1 1 1   13    8   15 o  235.537   1.9160 -5.771057 3.832098 
1 1 1   13    8   16 o  137.393   2.8447 -6.301346 5.689477 
1 1 1   13    8   17 o  293.107   2.6892 29.03003 5.378363 
1 1 1   13    8   18 o  218.654   2.3615 4.953766 4.723088 
1 1 1   13    8   19 o  207.067   2.4818 8.045380 4.963528 
1 1 1   13    8   20 o   97.991   5.2257 -2.024971 10.45140 
1 1 1   13    8   21 o  138.427   3.5683 7.959457 7.136628 
1 1 1   13    8   22 o  266.253   2.4201 0.9344482E-01 4.840145 
1 1 1   13    8   23 o   22.294   7.6225 -2.678463 15.24496 
1 1 1   13    8   24 o  125.985   4.1000 -0.9932632 8.200035 
1 1 1   13    8   25 o   90.800   5.5638 6.023491 11.12763 
1 1 1   13    8   26 o   91.793   5.0758 -5.767982 10.15167 
1 1 1   13    8   27 o  171.085   2.9794 4.478134 5.958745 
1 1 1   13    8   28 o  128.809   3.7450 4.706398 7.490005 
1 1 1   13    8   29 f   95.981   4.8458 15.73299 9.691526 
1 1 1   13    8   30 o   26.635   8.6404 12.78917 17.28076 
1 1 1   13    8   31 f   78.985   5.7296 -9.881065 11.45920 
1 1 1   13    8   32 o   32.875   8.8704 -14.46640 17.74082 
1 1 1   13    8   33 o   81.721   5.7380 7.396034 11.47603 
1 1 1   13    8   34 o  110.502   5.0564 -3.115021 10.11284 
1 1 1   13    8   35 o   33.278   9.0399 14.63063 18.07980 
1 1 1   13    8   36 o   32.486   8.7558 5.725151 17.51160 
1 1 1   13    9    0 o  480.565   4.4263 0.000000 0.000000 
1 1 1   13    9    1 o  258.606   1.4967 2.245087 2.993350 
1 1 1   13    9    2 o   17.546   5.1237 -2.699642 10.24745 
1 1 1   13    9    3 f  695.571   3.6539 -2.614563 7.307817 
1 1 1   13    9    4 o  378.610   2.0467 0.9462891 4.093323 
1 1 1   13    9    5 o  131.650   1.4052 -2.513351 2.810421 
1 1 1   13    9    6 o  485.571   2.5808 5.268799 5.161519 
1 1 1   13    9    7 o  280.535   1.7792 -4.741364 3.558365 
1 1 1   13    9    8 o  389.445   2.2869 2.275085 4.573792 
1 1 1   13    9    9 o   71.298   2.6651 -5.092941 5.330280 
1 1 1   13    9   10 o  271.513   1.7983 -2.279358 3.596535 
1 1 1   13    9   11 o  121.614   2.3018 -3.340279 4.603582 
1 1 1   13    9   12 o  298.917   1.9480 -2.829834 3.896045 
1 1 1   13    9   13 o  332.642   1.9618 0.8107300 3.923571 
1 1 1   13    9   14 o  173.881   2.0453 7.171997 4.090505 
1 1 1   13    9   15 o  453.338   2.6170 6.452454 5.233981 
1 1 1   13    9   16 o   97.344   3.9753 6.125412 7.950580 
1 1 1   13    9   17 o  358.526   2.2990 2.462128 4.597948 
1 1 1   13    9   18 o  474.059   2.7803 -5.291412 5.560606 
1 1 1   13    9   19 o  237.067   2.5170 12.93718 5.034041 
1 1 1   13    9   20 o  245.915   3.1715 -40.16888 6.343033 
1 1 1   13    9   21 o  161.404   3.1086 1.815063 6.217155 
1 1 1   13    9   22 o  111.468   4.4305 -1.166779 8.860912 
1 1 1   13    9   23 o   71.652   7.2013 -2.868248 14.40265 
1 1 1   13    9   24 f   92.663   5.3162 -4.810806 10.63234 
1 1 1   13    9   25 o  121.853   4.1584 -7.345551 8.316819 
1 1 1   13    9   26 o  240.014   2.4770 -6.270920 4.954085 
1 1 1   13    9   27 o   25.550   8.1581 -0.7193203 16.31612 
1 1 1   13    9   28 o   31.752   8.7632 -14.32327 17.52636 
1 1 1   13    9   29 o   26.762   8.4568 8.460613 16.91364 
1 1 1   13    9   30 f   37.334   9.4650 -2.020378 18.93001 
1 1 1   13    9   31 o   67.156   6.8642 -3.749031 13.72844 
1 1 1   13    9   32 o   75.877   6.8382 -29.85568 13.67636 
1 1 1   13    9   33 o  191.013   2.7717 4.645920 5.543420 
1 1 1   13    9   34 o   30.590   9.0400 2.017841 18.08006 
1 1 1   13    9   35 o   34.841   9.3750 11.78055 18.74992 
1 1 1   13    9   36 o   34.657   9.7854 18.43392 19.57075 
1 1 1   13   10    0 o  394.497   3.0050 0.000000 0.000000 
1 1 1   13   10    1 o  457.428   2.4342 3.222107 4.868443 
1 1 1   13   10    2 o  322.450   1.9232 2.352112 3.846403 
1 1 1   13   10    3 o  455.510   2.4260 0.2917480 4.851933 
1 1 1   13   10    4 o  330.189   1.8254 -2.963898 3.650893 
1 1 1   13   10    5 o  167.339   1.4296 -4.438690 2.859193 
1 1 1   13   10    6 o  344.603   1.9050 2.275024 3.809960 
1 1 1   13   10    7 o  278.362   1.6384 3.750092 3.276733 
1 1 1   13   10    8 f  340.401   2.0548 0.3189392 4.109526 
1 1 1   13   10    9 o  516.475   2.7561 1.637634 5.512190 
1 1 1   13   10   10 o   32.232   6.3009 -7.277611 12.60172 
1 1 1   13   10   11 o  542.278   2.8989 2.760864 5.797834 
1 1 1   13   10   12 o  684.352   3.6186 7.255371 7.237287 
1 1 1   13   10   13 o  299.102   2.0434 -4.062317 4.086809 
1 1 1   13   10   14 o  316.645   2.0641 -2.724854 4.128239 
1 1 1   13   10   15 o  278.323   3.7713      ?      ? 
1 1 1   13   10   16 o   70.625   5.2345 23.56077 10.46901 
1 1 1   13   10   17 o  165.687   3.2902 -6.694458 6.580364 
1 1 1   13   10   18 o  239.983   2.3137 -2.571747 4.627333 
1 1 1   13   10   19 o  105.178   4.2938 10.46108 8.587669 
1 1 1   13   10   20 o  192.432   2.7423 8.258560 5.484594 
1 1 1   13   10   21 o   76.366   6.5241 -17.01671 13.04823 
1 1 1   13   10   22 o  132.235   3.7268 -1.186966 7.453640 
1 1 1   13   10   23 o  159.714   3.2325 -8.524826 6.465064 
1 1 1   13   10   24 o   57.185   8.4777 -30.49605 16.95548 
1 1 1   13   10   25 o  105.699   4.6155 -2.293922 9.231007 
1 1 1   13   10   26 o  160.791   3.0098 0.1274109E-01 6.019693 
1 1 1   13   10   27 f  172.329   3.0643 -2.892014 6.128580 
1 1 1   13   10   28 o   23.788   7.7661 -1.747662 15.53213 
1 1 1   13   10   29 o   98.568   5.1275 34.65490 10.25506 
1 1 1   13   10   30 o   51.032   8.7355 -0.2563515 17.47102 
1 1 1   13   10   31 o   26.146   8.2166 10.85929 16.43330 
1 1 1   13   10   32 o  117.564   3.9943 -6.706932 7.988631 
1 1 1   13   10   33 o   27.448   8.5695 -3.936594 17.13895 
1 1 1   13   10   34 o   49.810   9.3271 8.956394 18.65413 
1 1 1   13   10   35 o   47.082   9.1454 -0.3357697E-01 18.29077 
1 1 1   13   11    0 o  157.895   1.9355 0.000000 0.000000 
1 1 1   13   11    1 o  206.877   1.3702 2.034134 2.740383 
1 1 1   13   11    2 o  231.151   1.4332 0.4633026 2.866484 
1 1 1   13   11    3 o  183.246   1.3809 -3.420685 2.761771 
1 1 1   13   11    4 o  162.051   1.4718 1.540939 2.943628 
1 1 1   13   11    5 f  383.724   2.0891 2.180237 4.178183 
1 1 1   13   11    6 o  139.005   1.5106 -6.898575 3.021159 
1 1 1   13   11    7 o  214.251   1.4814 -3.308960 2.962892 
1 1 1   13   11    8 o  323.321   1.8534 5.164825 3.706829 
1 1 1   13   11    9 o  341.181   1.9402 5.971283 3.880403 
1 1 1   13   11   10 o  274.732   1.7223 -2.317566 3.444597 
1 1 1   13   11   11 f  458.537   2.4957 -1.952698 4.991324 
1 1 1   13   11   12 o  595.855   3.1767 2.944946 6.353401 
1 1 1   13   11   13 o  204.522   2.1350 -0.8964844 4.270079 
1 1 1   13   11   14 x  ?   ?       ?      ? 
1 1 1   13   11   15 o  382.577   2.6308 -12.80322 5.261644 
1 1 1   13   11   16 o  220.599   2.3116 0.9210052 4.623249 
1 1 1   13   11   17 f  413.813   2.5298 1.768555 5.059621 
1 1 1   13   11   18 o  303.420   2.2502 5.303436 4.500492 
1 1 1   13   11   19 o  207.874   2.9677 3.623215 5.935351 
1 1 1   13   11   20 o   33.948   8.8641 -12.32121 17.72815 
1 1 1   13   11   21 o  378.569   2.4714 -4.782623 4.942703 
1 1 1   13   11   22 o  120.545   4.2897 -10.96172 8.579411 
1 1 1   13   11   23 o  102.390   4.7762 12.22565 9.552311 
1 1 1   13   11   24 o  205.099   2.6770 4.529480 5.353971 
1 1 1   13   11   25 o   33.738   8.9968 -12.75826 17.99368 
1 1 1   13   11   26 o   63.223   6.9811 4.586685 13.96221 
1 1 1   13   11   27 o   62.959   7.2229 -2.973019 14.44575 
1 1 1   13   11   28 o   41.406   9.4134 -1.603077 18.82681 
1 1 1   13   11   29 o   24.889   8.0166 3.717665 16.03327 
1 1 1   13   11   30 o   49.845   8.8844 6.677071 17.76884 
1 1 1   13   11   31 o   29.183   8.6108 -8.298725 17.22168 
1 1 1   13   11   32 o   75.932   5.9872 14.31476 11.97445 
1 1 1   13   11   33 o   45.395   9.4090 21.04566 18.81803 
1 1 1   13   11   34 o   68.107   8.0407 -19.63044 16.08138 
1 1 1   13   11   35 o   30.216   8.9984 6.854767 17.99686 
1 1 1   13   12    0 o  609.284   4.5487 0.000000 0.000000 
1 1 1   13   12    1 o  205.443   1.4285 3.620056 2.857093 
1 1 1   13   12    2 o  298.277   1.7129 -1.178680 3.425864 
1 1 1   13   12    3 o  182.178   1.4054 2.905334 2.810715 
1 1 1   13   12    4 o  367.884   2.1852 1.328613 4.370445 
1 1 1   13   12    5 o  477.478   2.5570 -4.316681 5.114058 
1 1 1   13   12    6 o  180.956   1.7114 -9.923340 3.422725 
1 1 1   13   12    7 o  366.848   2.0459 9.695862 4.091706 
1 1 1   13   12    8 o  417.477   2.2835 4.442902 4.566925 
1 1 1   13   12    9 o  145.535   1.6938 -4.326965 3.387665 
1 1 1   13   12   10 o   29.272   5.3256 28.75087 10.65123 
1 1 1   13   12   11 o  354.357   2.0418 2.825897 4.083587 
1 1 1   13   12   12 o  347.138   2.1425 1.615112 4.284925 
1 1 1   13   12   13 o  455.315   2.6181 1.053558 5.236117 
1 1 1   13   12   14 o   93.112   3.9251 6.385406 7.850266 
1 1 1   13   12   15 o  293.577   2.1569 5.238617 4.313863 
1 1 1   13   12   16 o  340.091   2.2804 -1.859283 4.560762 
1 1 1   13   12   17 o  314.330   2.2417 -2.424103 4.483373 
1 1 1   13   12   18 o  539.631   3.0994 1.474365 6.198743 
1 1 1   13   12   19 o  490.507   2.8924 4.825104 5.784824 
1 1 1   13   12   20 o  293.644   2.3166 -0.1001587 4.633174 
1 1 1   13   12   21 o  392.625   2.5358 0.1049805E-01 5.071657 
1 1 1   13   12   22 o   48.479   9.1820 -5.906044 18.36392 
1 1 1   13   12   23 o  222.069   2.5171 1.880600 5.034153 
1 1 1   13   12   24 o  155.930   3.1711 -1.559464 6.342135 
1 1 1   13   12   25 o  256.495   2.4605 -0.7120972 4.920980 
1 1 1   13   12   26 o  119.781   3.9282 -8.709389 7.856308 
1 1 1   13   12   27 o   56.247   7.9501 -16.25018 15.90018 
1 1 1   13   12   28 o   19.566   6.7338 -2.478069 13.46766 
1 1 1   13   12   29 o   31.149   8.9193 8.594896 17.83870 
1 1 1   13   12   30 f   61.311   7.5314 24.60143 15.06274 
1 1 1   13   12   31 o   87.025   6.2645 0.5069885 12.52891 
1 1 1   13   12   32 o   52.790   9.0536 -5.357464 18.10728 
1 1 1   13   12   33 f   78.151   6.7189 7.675148 13.43773 
1 1 1   13   12   34 o   44.194   10.325 -5.755470 20.65084 
1 1 1   13   12   35 o   34.801   8.9797 14.14227 17.95942 
1 1 1   13   13    0 o  1006.19   7.4696 0.000000 0.000000 
1 1 1   13   13    1 o  342.944   1.9188 1.528778 3.837556 
1 1 1   13   13    2 o  194.796   1.6299 -1.173370 3.259744 
1 1 1   13   13    3 o  282.280   1.6911 -6.012421 3.382170 
1 1 1   13   13    4 o  302.608   1.7685 2.997803 3.537069 
1 1 1   13   13    5 o   49.726   3.7192 4.972389 7.438413 
1 1 1   13   13    6 o  419.177   2.2907 5.189240 4.581419 
1 1 1   13   13    7 o  207.457   1.5536 5.428375 3.107245 
1 1 1   13   13    8 o  473.179   2.5613 9.165680 5.122520 
1 1 1   13   13    9 o  340.701   2.1103 -0.1836853 4.220626 
1 1 1   13   13   10 o  106.047   2.2529 -6.016663 4.505824 
1 1 1   13   13   11 o  234.021   1.9410 4.153549 3.882073 
1 1 1   13   13   12 o  871.047   4.7486 2.114136 9.497235 
1 1 1   13   13   13 o  337.222   2.1734 -1.676422 4.346784 
1 1 1   13   13   14 o   80.372   4.7241 8.318298 9.448111 
1 1 1   13   13   15 o  310.928   2.7315 -86.29761 5.463041 
1 1 1   13   13   16 f  297.031   2.3435 8.770233 4.686992 
1 1 1   13   13   17 o  317.483   2.3074 4.558838 4.614885 
1 1 1   13   13   18 o  451.800   2.7240 1.808899 5.447958 
1 1 1   13   13   19 f  165.048   2.9230 10.08701 5.846079 
1 1 1   13   13   20 o  171.119   3.0100 -13.94260 6.020099 
1 1 1   13   13   21 o  247.560   2.3665 -5.813568 4.733046 
1 1 1   13   13   22 o   91.173   5.0510 0.2751770 10.10192 
1 1 1   13   13   23 o  173.859   2.9899 5.173782 5.979819 
1 1 1   13   13   24 o  143.267   3.2967 6.603790 6.593455 
1 1 1   13   13   25 o  186.403   2.6849 -7.338272 5.369865 
1 1 1   13   13   26 o  109.182   4.0065 5.947090 8.013091 
1 1 1   13   13   27 o  190.706   2.5421 9.177917 5.084262 
1 1 1   13   13   28 o  104.157   4.7448 -0.4261322 9.489582 
1 1 1   13   13   29 o   65.701   7.4650 12.73024 14.92994 
1 1 1   13   13   30 o   89.395   4.8342 -3.549332 9.668419 
1 1 1   13   13   31 o   92.779   5.9395 8.437187 11.87894 
1 1 1   13   13   32 o   49.723   9.8686 -3.832493 19.73729 
1 1 1   13   13   33 o   32.117   9.4801 -10.47204 18.96017 
1 1 1   13   13   34 o   27.472   8.4681 7.980274 16.93612 
1 1 1   13   14    0 o  448.285   3.4250 0.000000 0.000000 
1 1 1   13   14    1 o  610.339   3.2337 -5.420288 6.467339 
1 1 1   13   14    2 o  139.117   2.2370 5.397476 4.474033 
1 1 1   13   14    3 o  682.627   3.6035 1.464905 7.206984 
1 1 1   13   14    4 o  355.944   2.1683 -1.161713 4.336586 
1 1 1   13   14    5 o  244.058   1.8186 2.010345 3.637282 
1 1 1   13   14    6 o  478.119   2.5818 0.5444946 5.163671 
1 1 1   13   14    7 o  507.458   2.7352 -2.729980 5.470451 
1 1 1   13   14    8 o  291.920   1.7951 -2.892273 3.590100 
1 1 1   13   14    9 o  495.438   2.6931 9.938599 5.386257 
1 1 1   13   14   10 o  287.023   2.0483 3.954224 4.096569 
1 1 1   13   14   11 o  457.479   3.0962 -3.562988 6.192361 
1 1 1   13   14   12 x  ?   ?       ?      ? 
1 1 1   13   14   13 o  109.851   3.3454 -6.237823 6.690711 
1 1 1   13   14   14 o  313.286   4.0159      ?      ? 
1 1 1   13   14   15 o   98.924   3.9157 29.25255 7.831440 
1 1 1   13   14   16 o  211.815   2.3573 5.769455 4.714540 
1 1 1   13   14   17 o  210.306   2.8815 1.233719 5.762905 
1 1 1   13   14   18 o  499.891   2.9084 1.707031 5.816733 
1 1 1   13   14   19 o  156.183   2.9867 -1.047226 5.973423 
1 1 1   13   14   20 o  333.638   2.3640 -0.2453613 4.728033 
1 1 1   13   14   21 o   42.008   9.1615 18.09775 18.32300 
1 1 1   13   14   22 o  104.822   4.4355 0.7098389 8.870924 
1 1 1   13   14   23 o   25.041   8.0924 4.854271 16.18473 
1 1 1   13   14   24 o  130.080   3.4975 -6.636650 6.995079 
1 1 1   13   14   25 o  221.334   2.4276 4.199600 4.855186 
1 1 1   13   14   26 o  115.943   3.8217 -3.958824 7.643299 
1 1 1   13   14   27 o   89.706   6.3243 -4.183151 12.64850 
1 1 1   13   14   28 o  103.238   4.2215 11.73975 8.442959 
1 1 1   13   14   29 o   61.860   6.9485 19.67774 13.89700 
1 1 1   13   14   30 o   88.700   5.3370 -14.09000 10.67397 
1 1 1   13   14   31 o   26.494   8.5927 -6.251413 17.18549 
1 1 1   13   14   32 o   60.459   8.8373 1.198975 17.67469 
1 1 1   13   14   33 o   31.213   9.3478 -3.429876 18.69569 
1 1 1   13   14   34 o   24.923   7.9609 -0.7036514 15.92184 
1 1 1   13   15    0 o  404.521   3.1557 0.000000 0.000000 
1 1 1   13   15    1 o  223.780   1.7530 6.989853 3.506032 
1 1 1   13   15    2 o  250.191   1.6639 1.375015 3.327800 
1 1 1   13   15    3 o  154.946   1.7019 0.8950500 3.403716 
1 1 1   13   15    4 o  218.137   1.7118 4.066467 3.423630 
1 1 1   13   15    5 o  306.936   1.8423 -2.275970 3.684545 
1 1 1   13   15    6 o  172.537   1.7185 -1.256668 3.437008 
1 1 1   13   15    7 o  266.023   2.5244 -1.372711 5.048710 
1 1 1   13   15    8 o  285.633   2.2036 -2.951691 4.407123 
1 1 1   13   15    9 f  230.777   2.4962 -7.730865 4.992313 
1 1 1   13   15   10 o  665.750   4.0981 5.765991 8.196196 
1 1 1   13   15   11 o  414.980   2.7591 4.176727 5.518196 
1 1 1   13   15   12 o  284.432   2.0769 9.504822 4.153872 
1 1 1   13   15   13 o  427.045   3.9445      ?      ? 
1 1 1   13   15   14 o  204.545   2.2587 3.767715 4.517336 
1 1 1   13   15   15 o  230.512   2.2666 0.8934174 4.533168 
1 1 1   13   15   16 o  190.911   2.7192 -14.04684 5.438390 
1 1 1   13   15   17 o   44.534   8.7800 14.29387 17.56008 
1 1 1   13   15   18 o  126.671   3.5528 2.663574 7.105580 
1 1 1   13   15   19 o   94.696   4.6860 5.558357 9.372093 
1 1 1   13   15   20 o  269.643   2.3114 -2.650421 4.622718 
1 1 1   13   15   21 o   44.039   9.0956 6.533283 18.19124 
1 1 1   13   15   22 o  235.014   2.3210 9.581802 4.641910 
1 1 1   13   15   23 o  263.021   2.2429 -1.655518 4.485824 
1 1 1   13   15   24 o   47.685   7.8461 -28.81421 15.69218 
1 1 1   13   15   25 o  130.785   4.2545 -8.203354 8.509088 
1 1 1   13   15   26 o   48.793   8.5360 2.990700 17.07193 
1 1 1   13   15   27 o  106.612   4.1043 -9.024002 8.208567 
1 1 1   13   15   28 o   95.047   4.6291 27.20869 9.258208 
1 1 1   13   15   29 o  125.685   3.6386 6.542610 7.277288 
1 1 1   13   15   30 o   64.083   7.9088 -9.096111 15.81755 
1 1 1   13   15   31 o   36.305   9.7033 4.884590 19.40663 
1 1 1   13   15   32 o   71.639   7.1794 -14.12576 14.35879 
1 1 1   13   15   33 o   20.217   6.9887 -2.490551 13.97741 
1 1 1   13   15   34 x  ?   ?       ?      ? 
1 1 1   13   16    0 o   84.630   4.1421 0.000000 0.000000 
1 1 1   13   16    1 o  448.903   2.4490 -1.883698 4.898024 
1 1 1   13   16    2 o  218.908   1.6456 2.712631 3.291165 
1 1 1   13   16    3 o   46.705   5.0387 -1.009262 10.07731 
1 1 1   13   16    4 o  165.223   1.7682 -1.081863 3.536440 
1 1 1   13   16    5 o  389.623   2.3793 2.716400 4.758547 
1 1 1   13   16    6 o  680.165   4.1673 1.196838 8.334596 
1 1 1   13   16    7 o  292.001   2.5239 13.60757 5.047837 
1 1 1   13   16    8 o  269.543   2.7385 16.38461 5.476952 
1 1 1   13   16    9 o  375.510   2.9095 -11.25137 5.818935 
1 1 1   13   16   10 f  146.553   2.9703 -6.945679 5.940690 
1 1 1   13   16   11 o  504.531   3.2225 0.1597900 6.444940 
1 1 1   13   16   12 o  470.053   3.0681 -2.413666 6.136226 
1 1 1   13   16   13 o  125.819   3.5971 3.739471 7.194189 
1 1 1   13   16   14 o  180.736   2.5014 11.08948 5.002786 
1 1 1   13   16   15 o  177.586   2.7510 -2.080460 5.502036 
1 1 1   13   16   16 o  136.203   3.1967 -0.4485931 6.393405 
1 1 1   13   16   17 o  257.515   2.2368 4.934326 4.473670 
1 1 1   13   16   18 o  199.353   2.4599 -5.674606 4.919899 
1 1 1   13   16   19 o  263.432   2.2812 11.28967 4.562309 
1 1 1   13   16   20 o   68.405   6.1923 -0.6838150 12.38461 
1 1 1   13   16   21 o  140.900   3.1826 -0.6402893 6.365209 
1 1 1   13   16   22 o   33.820   9.0124 7.427845 18.02482 
1 1 1   13   16   23 o  173.509   3.5473 -8.431503 7.094512 
1 1 1   13   16   24 o  133.145   3.1780 -6.119598 6.355983 
1 1 1   13   16   25 o   96.337   4.8721 -4.606285 9.744205 
1 1 1   13   16   26 o   72.062   8.2270 50.00864 16.45396 
1 1 1   13   16   27 o  169.988   2.8236 -6.580719 5.647189 
1 1 1   13   16   28 o   37.045   9.0271 13.15118 18.05427 
1 1 1   13   16   29 o   97.051   5.5268 -7.283661 11.05362 
1 1 1   13   16   30 o   44.814   9.8334 -5.407787 19.66688 
1 1 1   13   16   31 o   93.687   5.3978 5.290771 10.79557 
1 1 1   13   16   32 o   38.937   9.6932 6.180790 19.38649 
1 1 1   13   16   33 o   49.560   8.9392 -23.34795 17.87838 
1 1 1   13   17    0 f  132.056   3.2475 0.000000 0.000000 
1 1 1   13   17    1 o   65.304   4.1626 -1.006172 8.325241 
1 1 1   13   17    2 o  226.106   1.7627 -2.087143 3.525302 
1 1 1   13   17    3 o   21.085   6.8363 -5.755272 13.67252 
1 1 1   13   17    4 o  371.342   2.1591 -1.280090 4.318234 
1 1 1   13   17    5 o  483.634   3.4127 5.298767 6.825485 
1 1 1   13   17    6 o  482.900   3.0725 0.5757751 6.145026 
1 1 1   13   17    7 o  495.609   3.1527 0.3135376 6.305469 
1 1 1   13   17    8 o  263.559   2.5811 -7.029449 5.162118 
1 1 1   13   17    9 o  129.746   4.2790 12.08876 8.558006 
1 1 1   13   17   10 o  364.912   4.4664      ?      ? 
1 1 1   13   17   11 o  169.464   3.7683 -8.878433 7.536642 
1 1 1   13   17   12 o  267.082   2.4327 0.6270447 4.865391 
1 1 1   13   17   13 o  236.159   2.5526 -0.8269348 5.105254 
1 1 1   13   17   14 o  205.615   2.7696 -0.8180237E-01 5.539248 
1 1 1   13   17   15 o   63.840   5.9199 10.05020 11.83988 
1 1 1   13   17   16 o  266.433   2.2300 -3.326080 4.459910 
1 1 1   13   17   17 o   63.340   7.1438 -15.33116 14.28763 
1 1 1   13   17   18 o  112.502   4.1293 13.31847 8.258621 
1 1 1   13   17   19 o   89.826   4.5943 1.842598 9.188566 
1 1 1   13   17   20 f   86.969   4.9203 -5.675789 9.840659 
1 1 1   13   17   21 o  205.611   2.9829 -2.283951 5.965764 
1 1 1   13   17   22 o   50.956   7.6746 -5.627491 15.34917 
1 1 1   13   17   23 o  151.280   2.7559 -6.857117 5.511746 
1 1 1   13   17   24 o  104.212   4.2022 -0.7254944 8.404361 
1 1 1   13   17   25 o   23.137   7.5163 10.24166 15.03269 
1 1 1   13   17   26 o  167.982   2.6304 8.792465 5.260805 
1 1 1   13   17   27 o   29.510   8.4663 -8.491478 16.93259 
1 1 1   13   17   28 o   21.756   7.3550 -4.235291 14.71006 
1 1 1   13   17   29 o   38.683   9.6497 -9.831768 19.29939 
1 1 1   13   17   30 o   72.183   7.3527 22.03564 14.70549 
1 1 1   13   17   31 o   94.802   5.0720 -6.478012 10.14400 
1 1 1   13   17   32 o   28.320   8.6584 -0.4911060 17.31677 
1 1 1   13   17   33 x  ?   ?       ?      ? 
1 1 1   13   18    0 o  145.688   4.0636 0.000000 0.000000 
1 1 1   13   18    1 o  187.025   2.1140 6.763687 4.227939 
1 1 1   13   18    2 x  ?   ?       ?      ? 
1 1 1   13   18    3 x  ?   ?       ?      ? 
1 1 1   13   18    4 f   22.875   7.1641 -8.419947 14.32819 
1 1 1   13   18    5 o  198.317   2.4949 7.455780 4.989793 
1 1 1   13   18    6 o  171.822   2.7557 4.428619 5.511459 
1 1 1   13   18    7 o  274.346   2.3907 1.827240 4.781378 
1 1 1   13   18    8 o  248.637   4.1925      ?      ? 
1 1 1   13   18    9 o  274.723   2.6621 11.77563 5.324111 
1 1 1   13   18   10 o  141.093   3.3977 1.209961 6.795311 
1 1 1   13   18   11 o  418.458   2.8511 -4.164551 5.702197 
1 1 1   13   18   12 o  185.164   5.5498      ?      ? 
1 1 1   13   18   13 o  166.357   3.3806 3.019119 6.761223 
1 1 1   13   18   14 o   98.461   4.9963 6.565369 9.992647 
1 1 1   13   18   15 o  265.822   2.8279 -2.592651 5.655830 
1 1 1   13   18   16 o   99.706   4.0693 -4.171654 8.138519 
1 1 1   13   18   17 o  176.115   2.5434 4.124054 5.086707 
1 1 1   13   18   18 o  184.639   2.4690 3.783691 4.937908 
1 1 1   13   18   19 o   59.230   8.9216 7.978638 17.84316 
1 1 1   13   18   20 o  102.712   4.0542 -0.7351379 8.108341 
1 1 1   13   18   21 o   57.191   6.5337 11.50396 13.06748 
1 1 1   13   18   22 o   81.130   5.2275 -1.274597 10.45506 
1 1 1   13   18   23 o   39.690   8.7128 12.75893 17.42562 
1 1 1   13   18   24 o   47.671   8.3573 9.710278 16.71458 
1 1 1   13   18   25 o   56.656   7.7414 -33.02250 15.48289 
1 1 1   13   18   26 o   35.169   9.4375 2.042290 18.87505 
1 1 1   13   18   27 o   75.623   5.5798 26.60506 11.15963 
1 1 1   13   18   28 o   56.695   8.3634 6.508495 16.72689 
1 1 1   13   18   29 o   28.169   8.7211 4.465822 17.44224 
1 1 1   13   18   30 o   22.829   7.6479 -5.212578 15.29570 
1 1 1   13   18   31 o   98.052   4.9475 -8.480103 9.895029 
1 1 1   13   18   32 o   95.300   4.6337 -15.39809 9.267354 
1 1 1   13   19    0 o   25.087   10.409 0.000000 0.000000 
1 1 1   13   19    1 o  280.719   2.1280 -4.374420 4.256040 
1 1 1   13   19    2 o  329.725   2.1079 -4.476715 4.215711 
1 1 1   13   19    3 o   72.954   6.2104 29.17789 12.42077 
1 1 1   13   19    4 o  157.398   2.7284 -21.82413 5.456810 
1 1 1   13   19    5 o  260.698   2.6445 20.10425 5.288935 
1 1 1   13   19    6 o  180.556   2.7656 -7.186493 5.531281 
1 1 1   13   19    7 o  312.860   2.4656 -1.007507 4.931273 
1 1 1   13   19    8 o  370.291   2.8948 2.337677 5.789581 
1 1 1   13   19    9 o  143.114   3.4374 -3.849915 6.874773 
1 1 1   13   19   10 o  284.200   3.0640 5.893097 6.128055 
1 1 1   13   19   11 o  109.275   4.4517 -3.242546 8.903423 
1 1 1   13   19   12 o  363.116   2.6748 0.4136353 5.349658 
1 1 1   13   19   13 o  170.228   3.0897 -0.9425507 6.179496 
1 1 1   13   19   14 o  247.201   2.5881 -5.080246 5.176236 
1 1 1   13   19   15 o  125.848   4.0646 1.682014 8.129220 
1 1 1   13   19   16 o   37.671   9.8749 2.145523 19.74981 
1 1 1   13   19   17 o  171.385   3.5927 1.926239 7.185422 
1 1 1   13   19   18 o  315.619   2.2995 -0.8206177 4.598985 
1 1 1   13   19   19 o   21.217   7.0931 9.875597 14.18619 
1 1 1   13   19   20 o   99.693   3.8962 -4.192108 7.792391 
1 1 1   13   19   21 o   80.812   4.7349 0.7290039 9.469774 
1 1 1   13   19   22 o   24.944   7.7107 3.407190 15.42131 
1 1 1   13   19   23 o  112.543   3.7222 -4.019531 7.444355 
1 1 1   13   19   24 o   65.391   7.6735 -0.9910202 15.34697 
1 1 1   13   19   25 o   37.233   8.7381 -1.443832 17.47625 
1 1 1   13   19   26 o   87.768   4.4967 1.742294 8.993346 
1 1 1   13   19   27 o  120.903   4.4171 9.381660 8.834151 
1 1 1   13   19   28 o  123.444   3.9044 13.55676 7.808811 
1 1 1   13   19   29 o   98.091   5.6803 -16.59862 11.36061 
1 1 1   13   19   30 o   42.258   9.4544 14.54188 18.90888 
1 1 1   13   19   31 o   70.670   6.7439 11.62753 13.48786 
1 1 1   13   20    0 o  441.533   3.5450 0.000000 0.000000 
1 1 1   13   20    1 o  148.320   2.5826 -1.289215 5.165247 
1 1 1   13   20    2 o   48.374   7.6464 31.86966 15.29282 
1 1 1   13   20    3 o  376.676   2.2540 -7.130646 4.508053 
1 1 1   13   20    4 o  433.620   2.4734 -0.1024475 4.946799 
1 1 1   13   20    5 o  178.965   2.7748 4.357422 5.549527 
1 1 1   13   20    6 o  613.795   4.2578 -5.227112 8.515649 
1 1 1   13   20    7 o  263.462   2.4737 -6.351349 4.947434 
1 1 1   13   20    8 o  352.715   4.7486      ?      ? 
1 1 1   13   20    9 o  155.861   3.3437 -12.87936 6.687313 
1 1 1   13   20   10 o  266.103   2.4759 3.092438 4.951890 
1 1 1   13   20   11 o   93.296   5.0477 -7.064850 10.09545 
1 1 1   13   20   12 o  214.243   2.6657 6.696548 5.331455 
1 1 1   13   20   13 o   73.354   6.7280 3.641716 13.45591 
1 1 1   13   20   14 o   91.309   5.3953 22.60758 10.79064 
1 1 1   13   20   15 o  168.312   4.0545 -4.700729 8.108964 
1 1 1   13   20   16 o  190.758   2.8814 3.994812 5.762709 
1 1 1   13   20   17 o  203.206   3.1366 -9.093887 6.273231 
1 1 1   13   20   18 o   68.323   5.1268 26.57360 10.25358 
1 1 1   13   20   19 o  135.631   2.9505 -8.726913 5.901041 
1 1 1   13   20   20 o   24.465   7.6809 9.955257 15.36182 
1 1 1   13   20   21 o   95.198   3.9603 2.080208 7.920543 
1 1 1   13   20   22 o  145.211   2.7328 10.86725 5.465538 
1 1 1   13   20   23 o  124.584   4.0427      ?      ? 
1 1 1   13   20   24 o   31.877   8.7244 10.81004 17.44876 
1 1 1   13   20   25 o  106.364   3.8110 5.788620 7.622100 
1 1 1   13   20   26 o   61.566   7.1591 -31.45827 14.31812 
1 1 1   13   20   27 o   38.036   9.3311 2.261360 18.66228 
1 1 1   13   20   28 o   37.122   9.3466 -13.68336 18.69314 
1 1 1   13   20   29 o   42.113   9.5683 -12.13788 19.13655 
1 1 1   13   20   30 o   48.997   9.1528 -6.766792 18.30568 
1 1 1   13   20   31 o   25.306   8.0313 -17.44445 16.06253 
1 1 1   13   21    0 f   93.915   6.2917 0.000000 0.000000 
1 1 1   13   21    1 o  308.459   2.1070 1.484467 4.214091 
1 1 1   13   21    2 o   80.250   4.6067 -4.629585 9.213383 
1 1 1   13   21    3 o  160.848   2.7453 -6.235840 5.490579 
1 1 1   13   21    4 o  306.831   2.2721 12.23062 4.544179 
1 1 1   13   21    5 o  211.187   4.3291      ?      ? 
1 1 1   13   21    6 o  131.529   3.6131 -3.076721 7.226272 
1 1 1   13   21    7 o  240.380   2.5235 4.014282 5.046991 
1 1 1   13   21    8 o  266.403   2.4870 6.606201 4.973914 
1 1 1   13   21    9 o  202.053   2.6448 1.805542 5.289502 
1 1 1   13   21   10 o   54.197   8.4214 -23.83265 16.84277 
1 1 1   13   21   11 o  333.047   2.6216 1.609772 5.243123 
1 1 1   13   21   12 o  169.969   3.0608 -4.024734 6.121668 
1 1 1   13   21   13 o  138.523   4.5668 -1.705933 9.133644 
1 1 1   13   21   14 o  147.018   3.2783 2.223511 6.556527 
1 1 1   13   21   15 o   23.927   7.8344 -2.362560 15.66876 
1 1 1   13   21   16 o  158.344   3.2279 -8.923965 6.455839 
1 1 1   13   21   17 o  191.480   2.7302 -0.8893280 5.460339 
1 1 1   13   21   18 o  143.371   3.3252 2.528107 6.650428 
1 1 1   13   21   19 o   54.702   6.6134 -2.669487 13.22671 
1 1 1   13   21   20 o  124.571   2.9393 -5.129860 5.878666 
1 1 1   13   21   21 o  206.363   2.3711 1.587112 4.742289 
1 1 1   13   21   22 o  127.593   3.8366 -3.474861 7.673218 
1 1 1   13   21   23 o  134.964   3.0182 -2.643539 6.036491 
1 1 1   13   21   24 f   40.891   8.1979 -11.19810 16.39573 
1 1 1   13   21   25 o  100.608   3.9244 1.855217 7.848726 
1 1 1   13   21   26 f  138.965   3.2901 -9.717804 6.580240 
1 1 1   13   21   27 o   59.564   7.9673 -18.24395 15.93458 
1 1 1   13   21   28 o   75.130   6.4034 7.510567 12.80673 
1 1 1   13   21   29 o   84.645   5.3338 -20.06538 10.66766 
1 1 1   13   21   30 o   36.760   9.8736 -9.048878 19.74711 
1 1 1   13   22    0 o  409.985   4.1269 0.000000 0.000000 
1 1 1   13   22    1 o  149.163   2.8262 -3.251297 5.652344 
1 1 1   13   22    2 o  345.530   2.1964 1.769806 4.392872 
1 1 1   13   22    3 o  134.621   3.0446 -6.284058 6.089130 
1 1 1   13   22    4 o  145.342   2.6117 -3.975342 5.223423 
1 1 1   13   22    5 o  220.296   2.5552 6.440735 5.110344 
1 1 1   13   22    6 o  158.122   3.2127 3.410416 6.425483 
1 1 1   13   22    7 o   84.228   5.9972 -10.94816 11.99431 
1 1 1   13   22    8 o  201.012   2.7082 -0.9095001 5.416323 
1 1 1   13   22    9 o   62.567   7.8188 14.06459 15.63756 
1 1 1   13   22   10 o  241.518   2.6014 -1.401642 5.202770 
1 1 1   13   22   11 o  157.260   3.9669 7.831787 7.933883 
1 1 1   13   22   12 o  172.655   2.9546 1.548584 5.909210 
1 1 1   13   22   13 o   44.085   9.3567 -4.553143 18.71335 
1 1 1   13   22   14 o  136.128   3.7070 2.457947 7.413964 
1 1 1   13   22   15 f  183.722   2.8345 -4.399475 5.668906 
1 1 1   13   22   16 o  143.016   3.3938 9.556595 6.787626 
1 1 1   13   22   17 o   60.465   9.2806 -4.650917 18.56126 
1 1 1   13   22   18 f   30.314   8.9286 0.9879074 17.85723 
1 1 1   13   22   19 o   26.505   8.2272 7.263666 16.45444 
1 1 1   13   22   20 o  158.320   2.5349 4.137390 5.069821 
1 1 1   13   22   21 o   86.180   5.0773 23.80819 10.15455 
1 1 1   13   22   22 o  145.619   2.8063 -0.9927826 5.612527 
1 1 1   13   22   23 o   22.223   7.3004 8.829351 14.60077 
1 1 1   13   22   24 o   93.336   4.2874 -15.88165 8.574730 
1 1 1   13   22   25 o   68.604   5.5864 -2.875954 11.17284 
1 1 1   13   22   26 o   35.176   9.0049 11.98457 18.00977 
1 1 1   13   22   27 o   22.888   7.6430 -2.139067 15.28590 
1 1 1   13   22   28 o   53.149   8.6217 8.979321 17.24331 
1 1 1   13   22   29 o   40.097   7.9086 23.94990 15.81716 
1 1 1   13   23    0 o   48.866   10.431 0.000000 0.000000 
1 1 1   13   23    1 o  131.694   3.1098 -3.228622 6.219604 
1 1 1   13   23    2 o  248.043   2.1356 -6.400452 4.271205 
1 1 1   13   23    3 f  177.553   2.4622 -8.447937 4.924455 
1 1 1   13   23    4 o  246.984   2.1527 -6.127151 4.305402 
1 1 1   13   23    5 o   99.067   4.9700 7.749954 9.939966 
1 1 1   13   23    6 o   70.453   6.5321 -0.5621033 13.06412 
1 1 1   13   23    7 o   68.766   6.8847 2.480362 13.76931 
1 1 1   13   23    8 o   87.663   5.3901 8.577759 10.78014 
1 1 1   13   23    9 o  219.360   2.6186 0.5061340E-01 5.237293 
1 1 1   13   23   10 f   58.255   7.8248 -9.799950 15.64964 
1 1 1   13   23   11 o  125.123   3.7176 3.189720 7.435190 
1 1 1   13   23   12 o  211.805   2.7290 3.433884 5.457902 
1 1 1   13   23   13 o  179.997   2.9525 0.1863861 5.904963 
1 1 1   13   23   14 o   25.200   8.0734 -7.854004 16.14677 
1 1 1   13   23   15 o   96.618   5.8642 5.002411 11.72832 
1 1 1   13   23   16 o   99.468   4.6474 -11.39380 9.294847 
1 1 1   13   23   17 o   26.097   8.2217 0.4374275 16.44331 
1 1 1   13   23   18 o   57.712   8.0822 20.01165 16.16445 
1 1 1   13   23   19 o   40.456   9.4072 -8.427887 18.81441 
1 1 1   13   23   20 f   58.407   6.8498 -13.52345 13.69957 
1 1 1   13   23   21 o   46.750   7.5551 13.94668 15.11018 
1 1 1   13   23   22 o   27.518   7.8844 3.007017 15.76873 
1 1 1   13   23   23 o   23.188   7.3108 0.9233074 14.62162 
1 1 1   13   23   24 o   40.098   7.5338 -17.17139 15.06753 
1 1 1   13   23   25 o   70.945   5.7150 -11.84138 11.42992 
1 1 1   13   23   26 o   25.259   8.0006 -10.25187 16.00123 
1 1 1   13   23   27 o   29.942   8.8705 0.6066933 17.74091 
1 1 1   13   23   28 o   37.742   9.2718 -10.86880 18.54352 
1 1 1   13   24    0 o  189.439   3.4148 0.000000 0.000000 
1 1 1   13   24    1 o  175.029   2.4366 3.466064 4.873107 
1 1 1   13   24    2 o  109.232   3.5466 2.296539 7.093214 
1 1 1   13   24    3 o  108.432   3.5446 -2.095581 7.089204 
1 1 1   13   24    4 o  131.094   2.9526 -8.923714 5.905288 
1 1 1   13   24    5 o   67.949   7.1845 14.74355 14.36896 
1 1 1   13   24    6 o   99.946   4.8004 9.325348 9.600760 
1 1 1   13   24    7 o   38.897   8.2778 -26.41092 16.55552 
1 1 1   13   24    8 o   67.235   6.5960 -7.297131 13.19202 
1 1 1   13   24    9 o  209.292   2.6908 -0.6584015 5.381589 
1 1 1   13   24   10 o  152.127   3.3293 10.35400 6.658659 
1 1 1   13   24   11 o  148.218   3.3254 -0.6647949 6.650834 
1 1 1   13   24   12 o   34.576   9.0107 12.27107 18.02146 
1 1 1   13   24   13 o  147.536   3.1752 -1.659760 6.350422 
1 1 1   13   24   14 f  134.926   3.3712 2.229919 6.742372 
1 1 1   13   24   15 o   83.950   5.1466 8.395897 10.29313 
1 1 1   13   24   16 o   55.310   7.6547 -9.805683 15.30934 
1 1 1   13   24   17 o  133.717   3.4540 0.3717957 6.907956 
1 1 1   13   24   18 o   99.902   4.5158 6.867897 9.031671 
1 1 1   13   24   19 o   73.298   6.4833 -16.71058 12.96651 
1 1 1   13   24   20 o   52.551   8.7231 20.86745 17.44613 
1 1 1   13   24   21 o   82.172   4.1245 0.5358505 8.249047 
1 1 1   13   24   22 o   73.019   5.0748 6.584045 10.14951 
1 1 1   13   24   23 o   63.805   6.1586 -5.387516 12.31712 
1 1 1   13   24   24 o   38.714   8.4868 17.93313 16.97359 
1 1 1   13   24   25 o   89.365   4.3237 7.641266 8.647462 
1 1 1   13   24   26 o   35.815   9.0062 11.92160 18.01233 
1 1 1   13   24   27 o   25.608   8.1098 -1.357571 16.21957 
1 1 1   13   24   28 o   24.800   8.3571 -21.08550 16.71414 
1 1 1   13   25    0 o  124.287   4.6250 0.000000 0.000000 
1 1 1   13   25    1 o   93.829   4.0639 -12.46599 8.127875 
1 1 1   13   25    2 o  114.987   3.2861 1.203316 6.572213 
1 1 1   13   25    3 o  205.560   2.1805 -1.529755 4.360974 
1 1 1   13   25    4 o   91.957   4.0638 -10.69559 8.127622 
1 1 1   13   25    5 o   26.242   7.8311 -7.126081 15.66224 
1 1 1   13   25    6 f  118.462   4.2993 -7.093765 8.598630 
1 1 1   13   25    7 o  164.758   2.9748 -0.4909515 5.949533 
1 1 1   13   25    8 f  131.370   3.6904 -13.99501 7.380838 
1 1 1   13   25    9 o  107.704   4.1743 -2.317482 8.348662 
1 1 1   13   25   10 o   82.749   5.5964 -22.28893 11.19275 
1 1 1   13   25   11 o   42.138   8.8924 -13.25995 17.78474 
1 1 1   13   25   12 f  192.500   2.6217 7.021790 5.243465 
1 1 1   13   25   13 f   51.394   8.5874 -2.577190 17.17472 
1 1 1   13   25   14 o   96.563   4.6619 -27.20167 9.323813 
1 1 1   13   25   15 o  129.583   3.5794 1.953857 7.158838 
1 1 1   13   25   16 o   78.480   5.8541 -5.173683 11.70812 
1 1 1   13   25   17 o  150.102   4.4372 39.24670 8.874365 
1 1 1   13   25   18 o   72.454   6.4155 -16.20438 12.83110 
1 1 1   13   25   19 f   32.618   8.3139 18.62796 16.62784 
1 1 1   13   25   20 o  136.087   3.4176 -6.129379 6.835226 
1 1 1   13   25   21 o   54.001   8.5899 4.781124 17.17973 
1 1 1   13   25   22 o   51.733   6.7672 -1.201145 13.53445 
1 1 1   13   25   23 o   97.527   3.8085 -3.906746 7.616996 
1 1 1   13   25   24 o   49.031   7.8388 -2.855286 15.67750 
1 1 1   13   25   25 o   23.915   7.7842 -0.8373680 15.56836 
1 1 1   13   25   26 o   28.774   8.5417 2.866026 17.08346 
1 1 1   13   25   27 o   61.547   6.9365 -69.88838 13.87292 
1 1 1   13   26    0 o   25.461   10.943 0.000000 0.000000 
1 1 1   13   26    1 o   83.688   4.1130 3.330292 8.225963 
1 1 1   13   26    2 o  170.823   2.3300 -9.877136 4.660059 
1 1 1   13   26    3 o   74.482   4.9112 -9.206764 9.822358 
1 1 1   13   26    4 o   61.498   5.7073 -10.87443 11.41453 
1 1 1   13   26    5 o   39.577   8.0049 -13.42043 16.00980 
1 1 1   13   26    6 o   21.534   7.2213 -1.626844 14.44263 
1 1 1   13   26    7 o  151.824   3.0835 -3.560562 6.166923 
1 1 1   13   26    8 o   86.243   6.0488 -8.693420 12.09768 
1 1 1   13   26    9 o  106.172   4.2935 5.015884 8.587059 
1 1 1   13   26   10 o  154.548   3.0814 -2.035110 6.162722 
1 1 1   13   26   11 o   60.454   7.1374 -14.44381 14.27477 
1 1 1   13   26   12 o   50.936   8.4451 -4.116096 16.89025 
1 1 1   13   26   13 o  140.243   3.2640 7.266327 6.528004 
1 1 1   13   26   14 o  125.333   3.4666 -4.353020 6.933223 
1 1 1   13   26   15 o   97.664   4.5818 9.861244 9.163631 
1 1 1   13   26   16 o   29.055   8.2391 14.31808 16.47826 
1 1 1   13   26   17 o   32.943   8.6184 -21.64267 17.23670 
1 1 1   13   26   18 o  107.608   4.1789 -13.26713 8.357858 
1 1 1   13   26   19 o  132.012   3.6172 1.143692 7.234463 
1 1 1   13   26   20 f   75.797   6.0378 10.09082 12.07562 
1 1 1   13   26   21 o   69.694   6.2556 7.472046 12.51115 
1 1 1   13   26   22 o   66.204   5.6472 20.96894 11.29440 
1 1 1   13   26   23 o   34.151   8.5159 9.815607 17.03175 
1 1 1   13   26   24 o   86.247   4.2608 -0.6629944 8.521673 
1 1 1   13   26   25 o   27.511   8.3216 -3.112518 16.64312 
1 1 1   13   26   26 o   25.387   8.1905 -19.06372 16.38101 
1 1 1   13   27    0 o   17.882   8.8725 0.000000 0.000000 
1 1 1   13   27    1 o   99.608   3.3387 -12.49687 6.677486 
1 1 1   13   27    2 f   27.165   7.6123 7.178959 15.22455 
1 1 1   13   27    3 o   56.319   6.3988 26.42972 12.79767 
1 1 1   13   27    4 o  119.832   3.0279 2.183266 6.055847 
1 1 1   13   27    5 o  161.919   2.3751 -0.8877563E-01 4.750130 
1 1 1   13   27    6 o   73.259   7.2770 0.9433136 14.55395 
1 1 1   13   27    7 o  112.430   3.8996 10.76678 7.799260 
1 1 1   13   27    8 f  173.381   2.8609 -1.180618 5.721782 
1 1 1   13   27    9 o   21.223   7.1000 5.395432 14.19996 
1 1 1   13   27   10 o   26.974   8.1569 4.094210 16.31383 
1 1 1   13   27   11 o  122.861   3.5834 -1.067947 7.166712 
1 1 1   13   27   12 o   45.684   8.8879 10.18507 17.77583 
1 1 1   13   27   13 o   27.226   8.3353 -1.639214 16.67054 
1 1 1   13   27   14 o   21.329   7.1787 -8.472063 14.35740 
1 1 1   13   27   15 o   42.889   9.0121 -11.13632 18.02416 
1 1 1   13   27   16 o   66.080   6.9173 -18.96661 13.83452 
1 1 1   13   27   17 o   40.250   8.9608 -12.54222 17.92150 
1 1 1   13   27   18 f   60.524   7.3107 -10.92133 14.62144 
1 1 1   13   27   19 o  105.816   4.0492 -1.765694 8.098364 
1 1 1   13   27   20 o   31.407   8.9564 8.814909 17.91286 
1 1 1   13   27   21 o   26.395   8.2561 -15.30869 16.51225 
1 1 1   13   27   22 o   55.626   8.1904 -16.53811 16.38087 
1 1 1   13   27   23 o  114.694   3.2561 7.171326 6.512241 
1 1 1   13   27   24 o   65.771   6.5403 -19.00338 13.08066 
1 1 1   13   27   25 x  ?   ?       ?      ? 
1 1 1   13   28    0 o   71.875   6.7770 0.000000 0.000000 
1 1 1   13   28    1 o   84.901   3.9298 -0.1041870 7.859552 
1 1 1   13   28    2 f   90.808   3.6565 -8.359039 7.312935 
1 1 1   13   28    3 o   89.258   3.7568 0.8734360 7.513501 
1 1 1   13   28    4 o   29.520   8.0857 -18.61589 16.17145 
1 1 1   13   28    5 o  122.959   2.9522 -9.986641 5.904380 
1 1 1   13   28    6 o  168.451   2.8693 6.005051 5.738519 
1 1 1   13   28    7 f   85.145   5.1445 -7.138252 10.28909 
1 1 1   13   28    8 o   95.836   4.5224 -11.92784 9.044778 
1 1 1   13   28    9 o   34.363   9.0597 -0.5271149 18.11940 
1 1 1   13   28   10 o   33.280   9.0400 -4.602757 18.08003 
1 1 1   13   28   11 o   64.178   7.4307 -28.83902 14.86132 
1 1 1   13   28   12 o  109.198   4.0065 2.675873 8.012932 
1 1 1   13   28   13 o   49.356   8.7629 -5.490913 17.52589 
1 1 1   13   28   14 o   45.000   8.9272 9.190063 17.85448 
1 1 1   13   28   15 o   85.243   5.0430 -12.61219 10.08594 
1 1 1   13   28   16 f   22.547   7.4815 -5.830790 14.96310 
1 1 1   13   28   17 o   55.907   8.2324 0.7385941 16.46482 
1 1 1   13   28   18 o  101.058   4.7148 10.68282 9.429601 
1 1 1   13   28   19 o   33.272   9.1924 8.979744 18.38485 
1 1 1   13   28   20 o   36.534   9.1843 -8.079723 18.36859 
1 1 1   13   28   21 o   60.200   7.5283 -6.077053 15.05669 
1 1 1   13   28   22 o   55.599   8.4953 5.076267 16.99061 
1 1 1   13   28   23 o   24.310   7.9383 -7.353264 15.87664 
1 1 1   13   29    0 o   16.552   8.1458 0.000000 0.000000 
1 1 1   13   29    1 o   41.700   7.7058 -3.504162 15.41157 
1 1 1   13   29    2 o   30.713   7.8335 -12.42659 15.66695 
1 1 1   13   29    3 o   35.650   7.6354 14.90307 15.27088 
1 1 1   13   29    4 f   18.473   6.2138 0.9196663 12.42763 
1 1 1   13   29    5 o  139.556   2.6848 -1.605026 5.369615 
1 1 1   13   29    6 o   77.458   5.5049 3.775589 11.00989 
1 1 1   13   29    7 o  127.402   3.5673 -1.896965 7.134520 
1 1 1   13   29    8 o  126.390   4.9967 -4.738312 9.993408 
1 1 1   13   29    9 o   19.485   6.7159 -5.224092 13.43176 
1 1 1   13   29   10 f   51.174   8.5225 -37.41996 17.04495 
1 1 1   13   29   11 o   35.345   9.1287 6.049675 18.25750 
1 1 1   13   29   12 o   52.040   8.4535 -4.052780 16.90704 
1 1 1   13   29   13 o   31.403   8.9153 7.511166 17.83064 
1 1 1   13   29   14 o   60.729   7.2923 -18.40204 14.58468 
1 1 1   13   29   15 o   26.127   8.2255 2.445946 16.45092 
1 1 1   13   29   16 o  118.112   3.7868 -2.788940 7.573550 
1 1 1   13   29   17 o   35.337   7.4670 -35.68814 14.93402 
1 1 1   13   29   18 o   31.216   9.6349 5.618450 19.26974 
1 1 1   13   29   19 o   32.034   8.7473 -14.31829 17.49461 
1 1 1   13   29   20 o   66.765   7.3155 13.39242 14.63096 
1 1 1   13   29   21 o   35.623   9.3768 -9.110983 18.75356 
1 1 1   13   29   22 o   26.419   8.5489 3.244728 17.09787 
1 1 1   13   30    0 o   82.288   10.228 0.000000 0.000000 
1 1 1   13   30    1 o  119.046   3.3264 -10.72969 6.652746 
1 1 1   13   30    2 o  125.452   3.4404 -78.86964 6.880734 
1 1 1   13   30    3 o   93.628   4.6685 4.546974 9.337020 
1 1 1   13   30    4 o   72.751   4.9093 2.780479 9.818673 
1 1 1   13   30    5 x  ?   ?       ?      ? 
1 1 1   13   30    6 x  ?   ?       ?      ? 
1 1 1   13   30    7 o   31.900   8.3402 -16.54254 16.68046 
1 1 1   13   30    8 o   35.241   8.9642 5.709229 17.92843 
1 1 1   13   30    9 o   42.845   8.8713 13.57524 17.74261 
1 1 1   13   30   10 o   24.413   7.8084 -3.927288 15.61681 
1 1 1   13   30   11 o   33.707   8.0329 24.25888 16.06587 
1 1 1   13   30   12 o   42.760   8.0965 -28.50023 16.19293 
1 1 1   13   30   13 o   80.437   5.2490 11.92852 10.49791 
1 1 1   13   30   14 o   23.136   7.5863 -4.977966 15.17267 
1 1 1   13   30   15 f  143.665   3.2966 4.885117 6.593161 
1 1 1   13   30   16 o   65.538   7.0846 3.419640 14.16918 
1 1 1   13   30   17 o  120.112   4.0015 -7.049706 8.002996 
1 1 1   13   30   18 o   23.023   7.7907 -7.011538 15.58139 
1 1 1   13   30   19 o  144.769   4.6310 -25.25665 9.261969 
1 1 1   13   30   20 o   87.314   5.1219 3.001411 10.24376 
1 1 1   13   30   21 o   17.645   6.2467 -2.622561 12.49350 
1 1 1   13   31    0 o   16.862   8.5935 0.000000 0.000000 
1 1 1   13   31    1 o  124.224   2.7994 -7.736259 5.598758 
1 1 1   13   31    2 o   41.331   7.7972 -11.46433 15.59449 
1 1 1   13   31    3 o  121.731   2.9959 2.716240 5.991850 
1 1 1   13   31    4 f   50.748   6.5522 4.116726 13.10440 
1 1 1   13   31    5 o   71.783   4.3540 -3.829987 8.707984 
1 1 1   13   31    6 o   97.381   3.2788 4.919861 6.557575 
1 1 1   13   31    7 o  123.998   3.5421 -1.231255 7.084246 
1 1 1   13   31    8 o   75.032   5.2910 -0.5951920 10.58205 
1 1 1   13   31    9 o   36.723   8.9636 -3.587765 17.92712 
1 1 1   13   31   10 o   50.812   8.3906 -14.48688 16.78126 
1 1 1   13   31   11 o   42.533   9.7354 -3.399101 19.47076 
1 1 1   13   31   12 o   47.522   8.8874 -14.01998 17.77485 
1 1 1   13   31   13 o   27.854   7.9157 -21.00806 15.83147 
1 1 1   13   31   14 o   96.564   5.0004 13.00372 10.00082 
1 1 1   13   31   15 o   30.372   8.8208 -10.26673 17.64154 
1 1 1   13   31   16 o   90.859   5.0367 -3.826057 10.07347 
1 1 1   13   31   17 o  108.189   4.2772 -3.617027 8.554490 
1 1 1   13   31   18 o   70.579   6.2838 -2.931885 12.56760 
1 1 1   13   31   19 o   36.392   9.3862 -8.161884 18.77238 
1 1 1   13   32    0 o   72.814   8.8178 0.000000 0.000000 
1 1 1   13   32    1 o   41.778   7.4965 15.35271 14.99296 
1 1 1   13   32    2 o   56.069   6.4747 -27.08766 12.94935 
1 1 1   13   32    3 o   52.966   6.7876 12.83784 13.57510 
1 1 1   13   32    4 o   50.925   6.2928 -5.972908 12.58558 
1 1 1   13   32    5 o   53.142   6.0894 -25.37820 12.17888 
1 1 1   13   32    6 o   55.672   7.0177 36.11286 14.03546 
1 1 1   13   32    7 o   63.708   6.8237 6.107769 13.64739 
1 1 1   13   32    8 o   25.938   8.0324 8.982759 16.06473 
1 1 1   13   32    9 o   30.959   8.7086 -2.257639 17.41719 
1 1 1   13   32   10 f   39.610   8.9932 14.76125 17.98634 
1 1 1   13   32   11 o   75.770   6.0077 -11.54556 12.01544 
1 1 1   13   32   12 o   38.566   9.7507 5.511925 19.50142 
1 1 1   13   32   13 o   42.770   9.3255 8.700024 18.65100 
1 1 1   13   32   14 o   40.362   9.3276 -1.811844 18.65527 
1 1 1   13   32   15 o   36.985   9.3063 7.071018 18.61252 
1 1 1   13   32   16 o   39.920   9.3482 3.587902 18.69634 
1 1 1   13   32   17 f   35.930   9.5252 -4.104630 19.05045 
1 1 1   13   33    0 o   25.510   11.011 0.000000 0.000000 
1 1 1   13   33    1 o   34.550   7.5902 18.26289 15.18043 
1 1 1   13   33    2 o   36.346   7.4354 21.70362 14.87074 
1 1 1   13   33    3 o   33.422   8.1098 1.186832 16.21961 
1 1 1   13   33    4 o   20.717   6.7329 -7.318928 13.46583 
1 1 1   13   33    5 o   77.661   4.1713 -1.222878 8.342566 
1 1 1   13   33    6 o   93.482   3.5934 -4.607040 7.186895 
1 1 1   13   33    7 o   29.878   7.4709 8.066055 14.94187 
1 1 1   13   33    8 o   30.548   9.2642 4.668346 18.52850 
1 1 1   13   33    9 o   60.251   7.5865 17.51848 15.17309 
1 1 1   13   33   10 o   42.211   9.0006 0.6172447 18.00119 
1 1 1   13   33   11 o   29.654   8.4881 -7.585741 16.97622 
1 1 1   13   33   12 o   31.854   8.9016 5.658459 17.80329 
1 1 1   13   33   13 o   29.193   8.2807 -12.24586 16.56135 
1 1 1   13   33   14 o   27.479   8.7982 -9.195972 17.59638 
1 1 1   13   33   15 o   35.408   9.2228 -9.304296 18.44556 
1 1 1   13   34    0 o   27.578   11.718 0.000000 0.000000 
1 1 1   13   34    1 o   35.398   7.6660 -24.10030 15.33198 
1 1 1   13   34    2 o   40.507   8.1980 -16.94139 16.39600 
1 1 1   13   34    3 o   30.493   7.9857 -14.12548 15.97142 
1 1 1   13   34    4 o   74.659   4.5651 -4.334122 9.130213 
1 1 1   13   34    5 o   66.320   5.2062 10.64901 10.41245 
1 1 1   13   34    6 o   38.364   7.7825 10.03907 15.56495 
1 1 1   13   34    7 o   27.474   7.6960 -11.86816 15.39207 
1 1 1   13   34    8 o   28.630   8.3482 15.65522 16.69646 
1 1 1   13   34    9 o   25.114   8.0152 6.739479 16.03042 
1 1 1   13   34   10 o   27.816   8.2176 -8.793579 16.43512 
1 1 1   13   34   11 o   38.751   9.0192 -6.179424 18.03849 
1 1 1   13   34   12 o   31.450   8.7482 13.19048 17.49635 
1 1 1   13   34   13 x  ?   ?       ?      ? 
1 1 1   13   35    0 o   29.047   10.780 0.000000 0.000000 
1 1 1   13   35    1 o   30.330   8.1864 -9.708059 16.37271 
1 1 1   13   35    2 o   22.299   7.1672 0.7288628 14.33433 
1 1 1   13   35    3 o   48.575   7.4714 15.34705 14.94275 
1 1 1   13   35    4 o   51.538   7.1215 -3.306000 14.24306 
1 1 1   13   35    5 o   62.793   5.8458 18.37846 11.69161 
1 1 1   13   35    6 o   25.556   7.5063 5.981146 15.01251 
1 1 1   13   35    7 o   26.309   7.8186 0.6764603 15.63727 
1 1 1   13   35    8 o   29.430   8.4786 15.46769 16.95713 
1 1 1   13   35    9 o   41.762   9.2951 2.961174 18.59011 
1 1 1   13   35   10 x  ?   ?       ?      ? 
1 1 1   13   36    0 o   32.926   13.000 0.000000 0.000000 
1 1 1   13   36    1 o   50.063   7.3330 2.104809 14.66592 
1 1 1   13   36    2 o   31.559   8.1563 1.095840 16.31252 
1 1 1   13   36    3 o   18.860   6.4240 -1.701912 12.84794 
1 1 1   13   36    4 o   15.841   5.6567 3.261102 11.31346 
1 1 1   13   36    5 x  ?   ?       ?      ? 
1 1 1   14    0    0 o  280.494   3.1260 0.000000 0.000000 
1 1 1   14    0    1 o  194.389   1.7509 0.000000 0.000000 
1 1 1   14    0    2 o  225.297   1.8996 0.000000 0.000000 
1 1 1   14    0    3 o  364.282   2.7718 0.000000 0.000000 
1 1 1   14    0    4 o  187.983   1.7761 0.000000 0.000000 
1 1 1   14    0    5 o  242.822   2.0284 0.000000 0.000000 
1 1 1   14    0    6 o   20.321   7.5454 0.000000 0.000000 
1 1 1   14    0    7 o  539.753   4.0356 0.000000 0.000000 
1 1 1   14    0    8 o  278.001   2.2843 0.000000 0.000000 
1 1 1   14    0    9 o  278.670   2.3184 0.000000 0.000000 
1 1 1   14    0   10 o  502.941   3.7894 0.000000 0.000000 
1 1 1   14    0   11 o  436.422   4.1086 0.000000 0.000000 
1 1 1   14    0   12 o  142.777   2.5452 0.000000 0.000000 
1 1 1   14    0   13 o   88.336   3.9662 0.000000 0.000000 
1 1 1   14    0   14 o   24.382   9.7907 0.000000 0.000000 
1 1 1   14    0   15 o  295.854   2.6135 0.000000 0.000000 
1 1 1   14    0   16 o  150.009   3.1880 0.000000 0.000000 
1 1 1   14    0   17 o  295.019   4.0568 0.000000 0.000000 
1 1 1   14    0   18 o   86.421   6.1731 0.000000 0.000000 
1 1 1   14    0   19 o   40.673   14.037 0.000000 0.000000 
1 1 1   14    0   20 o  503.587   4.5983 0.000000 0.000000 
1 1 1   14    0   21 o  534.962   4.8711 0.000000 0.000000 
1 1 1   14    0   22 o  466.216   4.4757 0.000000 0.000000 
1 1 1   14    0   23 o  131.976   6.4499 0.000000 0.000000 
1 1 1   14    0   24 o   89.287   8.9036 0.000000 0.000000 
1 1 1   14    0   25 o   32.161   13.609 0.000000 0.000000 
1 1 1   14    0   26 o   73.348   11.298 0.000000 0.000000 
1 1 1   14    0   27 o   26.136   11.999 0.000000 0.000000 
1 1 1   14    0   28 o   44.363   14.023 0.000000 0.000000 
1 1 1   14    0   29 f   28.371   12.723 0.000000 0.000000 
1 1 1   14    0   30 o  113.836   6.6944 0.000000 0.000000 
1 1 1   14    0   31 o   67.057   11.866 0.000000 0.000000 
1 1 1   14    0   32 o   25.693   11.829 0.000000 0.000000 
1 1 1   14    0   33 o   56.801   14.505 0.000000 0.000000 
1 1 1   14    0   34 o   31.866   13.324 0.000000 0.000000 
1 1 1   14    0   35 f   55.070   14.105 0.000000 0.000000 
1 1 1   14    0   36 o   20.801   10.253 0.000000 0.000000 
1 1 1   14    1    0 o   23.210   6.5906 0.000000 0.000000 
1 1 1   14    1    1 o  228.086   1.3487 -0.3766785 2.697316 
1 1 1   14    1    2 o   54.754   2.3713 5.693863 4.742661 
1 1 1   14    1    3 o  348.302   1.8804 -3.240814 3.760799 
1 1 1   14    1    4 o  180.431   1.2474 -3.670990 2.494849 
1 1 1   14    1    5 o  211.081   1.4259 -7.507324 2.851755 
1 1 1   14    1    6 o   67.272   2.3095 -8.722054 4.618959 
1 1 1   14    1    7 o  715.060   4.0554 -5.266296 8.110882 
1 1 1   14    1    8 f  104.296   1.8941 -3.230377 3.788200 
1 1 1   14    1    9 o  320.036   1.8034 1.666321 3.606862 
1 1 1   14    1   10 o  113.142   1.9745 -2.135628 3.949094 
1 1 1   14    1   11 o  256.512   1.6126 -1.929626 3.225134 
1 1 1   14    1   12 o  826.345   4.3412 -8.285889 8.682467 
1 1 1   14    1   13 o  342.366   1.9642 -5.165771 3.928339 
1 1 1   14    1   14 o   65.157   4.0201 10.85421 8.040106 
1 1 1   14    1   15 o  626.570   3.5978 -4.028931 7.195541 
1 1 1   14    1   16 f  304.627   1.9372 0.5260315 3.874336 
1 1 1   14    1   17 o  355.152   2.7833 17.51559 5.566616 
1 1 1   14    1   18 o  321.944   2.0888 2.695496 4.177547 
1 1 1   14    1   19 f  419.266   2.8257 1.545441 5.651359 
1 1 1   14    1   20 o  155.206   3.2831 2.888428 6.566195 
1 1 1   14    1   21 o  234.210   2.6714 1.898697 5.342898 
1 1 1   14    1   22 o  232.708   2.5384 5.653839 5.076880 
1 1 1   14    1   23 o  140.848   3.6837 7.579163 7.367372 
1 1 1   14    1   24 o   75.400   6.8937 0.3243942 13.78743 
1 1 1   14    1   25 o  119.297   4.3321 -0.6669159 8.664277 
1 1 1   14    1   26 o   42.596   9.8317 6.482403 19.66343 
1 1 1   14    1   27 o   23.931   7.8978 3.572893 15.79564 
1 1 1   14    1   28 o  129.774   3.6814 1.793915 7.362899 
1 1 1   14    1   29 o  134.544   3.5875 9.044205 7.174958 
1 1 1   14    1   30 o  106.974   4.3031 2.319054 8.606124 
1 1 1   14    1   31 o  166.690   3.0342 1.281097 6.068459 
1 1 1   14    1   32 o   74.638   6.3342 1.626106 12.66845 
1 1 1   14    1   33 o  119.130   4.3306 -10.87646 8.661193 
1 1 1   14    1   34 o   33.410   9.2767 5.076708 18.55343 
1 1 1   14    1   35 o   98.461   5.1369 14.91473 10.27385 
1 1 1   14    1   36 o   36.441   9.3121 -2.138432 18.62428 
1 1 1   14    2    0 o   48.411   3.7599 0.000000 0.000000 
1 1 1   14    2    1 o  366.664   1.9668 -1.878052 3.933551 
1 1 1   14    2    2 o  262.200   1.6021 0.8905029E-01 3.204152 
1 1 1   14    2    3 o  472.815   2.5009 -1.471954 5.001733 
1 1 1   14    2    4 o  234.543   1.3895 -2.795593 2.779082 
1 1 1   14    2    5 o  163.794   1.2621 -7.760895 2.524211 
1 1 1   14    2    6 o  573.223   3.0205 3.280396 6.040957 
1 1 1   14    2    7 o  272.914   1.5875 5.998901 3.175065 
1 1 1   14    2    8 o  226.531   1.5775 -2.809189 3.155085 
1 1 1   14    2    9 o  265.677   1.5869 0.3883667 3.173803 
1 1 1   14    2   10 o  215.060   1.4864 1.756149 2.972701 
1 1 1   14    2   11 o  361.793   2.0111 3.967499 4.022182 
1 1 1   14    2   12 o  428.881   2.5212 6.997375 5.042397 
1 1 1   14    2   13 o  171.436   1.9197 2.761826 3.839368 
1 1 1   14    2   14 o  206.779   1.8624 0.1536102 3.724861 
1 1 1   14    2   15 o  554.831   2.9721 2.181152 5.944249 
1 1 1   14    2   16 o  604.721   3.2313 1.060608 6.462507 
1 1 1   14    2   17 o  286.762   4.0540      ?      ? 
1 1 1   14    2   18 o  326.744   2.1295 2.982086 4.258978 
1 1 1   14    2   19 o  280.272   3.0692 -3.028503 6.138422 
1 1 1   14    2   20 o  191.061   2.5894 3.750992 5.178791 
1 1 1   14    2   21 o  440.222   2.8878 3.481079 5.775611 
1 1 1   14    2   22 o  245.631   2.4652 -1.305801 4.930302 
1 1 1   14    2   23 o  255.372   2.5141 -5.234314 5.028177 
1 1 1   14    2   24 o   59.391   9.0631 6.354710 18.12615 
1 1 1   14    2   25 o   89.272   5.7929 -22.90530 11.58589 
1 1 1   14    2   26 o   57.392   9.1732 3.257198 18.34643 
1 1 1   14    2   27 o  114.959   4.2537 5.671432 8.507329 
1 1 1   14    2   28 o   30.757   9.0706 3.917370 18.14114 
1 1 1   14    2   29 o   87.371   5.1523 0.1104736E-01 10.30457 
1 1 1   14    2   30 o   33.385   8.6929 22.55356 17.38584 
1 1 1   14    2   31 o  110.933   4.1927 -13.87129 8.385400 
1 1 1   14    2   32 o   98.373   5.0115 8.993057 10.02291 
1 1 1   14    2   33 o   54.057   8.6305 -22.14845 17.26094 
1 1 1   14    2   34 o   65.845   7.6388 -8.371544 15.27754 
1 1 1   14    2   35 o   39.930   9.6940 1.439663 19.38790 
1 1 1   14    2   36 o   56.580   8.0819 5.140800 16.16373 
1 1 1   14    3    0 o   38.540   6.5018 0.000000 0.000000 
1 1 1   14    3    1 o  601.502   3.4147 -2.841553 6.829376 
1 1 1   14    3    2 o  464.807   2.4618 2.304749 4.923547 
1 1 1   14    3    3 o  229.023   1.4672 -4.890305 2.934345 
1 1 1   14    3    4 f  195.923   1.3875 0.1504364 2.774915 
1 1 1   14    3    5 o  511.891   2.9231 -0.4824829 5.846189 
1 1 1   14    3    6 o  443.475   2.9011 7.008270 5.802234 
1 1 1   14    3    7 o  335.260   1.8493 2.878113 3.698594 
1 1 1   14    3    8 o  530.038   2.8068 7.002258 5.613535 
1 1 1   14    3    9 o  501.931   2.6706 -1.098114 5.341193 
1 1 1   14    3   10 o  148.500   1.5823 -4.639633 3.164538 
1 1 1   14    3   11 o  353.963   2.4271 6.870605 4.854147 
1 1 1   14    3   12 o  401.822   2.2154 -3.459900 4.430748 
1 1 1   14    3   13 o   86.382   2.9872 4.651093 5.974481 
1 1 1   14    3   14 o  190.469   1.7754 -8.586899 3.550805 
1 1 1   14    3   15 o  383.520   2.3516 4.868195 4.703253 
1 1 1   14    3   16 o  124.608   2.6627 6.463303 5.325470 
1 1 1   14    3   17 o  194.773   4.3492      ?      ? 
1 1 1   14    3   18 o  193.500   2.5850 4.111588 5.170061 
1 1 1   14    3   19 f  443.754   2.7527 -1.390808 5.505466 
1 1 1   14    3   20 f   28.172   8.5522 -4.647924 17.10442 
1 1 1   14    3   21 o  361.296   3.3400 5.154236 6.679987 
1 1 1   14    3   22 o  101.700   5.1299 22.60762 10.25972 
1 1 1   14    3   23 o  307.769   2.7302 -4.079132 5.460397 
1 1 1   14    3   24 o  260.476   2.4298 0.9171753 4.859561 
1 1 1   14    3   25 o   60.121   8.6874 -24.46445 17.37473 
1 1 1   14    3   26 o  219.811   2.6967 -4.178757 5.393354 
1 1 1   14    3   27 o  137.124   3.5383 2.001358 7.076614 
1 1 1   14    3   28 o   26.198   8.3418 -7.985977 16.68360 
1 1 1   14    3   29 o  203.709   2.5797 -7.437332 5.159484 
1 1 1   14    3   30 o  125.307   4.3357 -7.439354 8.671338 
1 1 1   14    3   31 o  115.472   4.2182 6.874016 8.436397 
1 1 1   14    3   32 o   88.160   5.2689 -9.534042 10.53779 
1 1 1   14    3   33 o   76.798   6.4339 -2.835007 12.86790 
1 1 1   14    3   34 o   42.999   9.3844 14.11599 18.76880 
1 1 1   14    3   35 o   22.912   7.6984 4.063402 15.39677 
1 1 1   14    3   36 o   31.232   8.7609 11.12395 17.52177 
1 1 1   14    4    0 o  141.861   1.7551 0.000000 0.000000 
1 1 1   14    4    1 o  165.901   1.2162 -1.760818 2.432420 
1 1 1   14    4    2 o  102.716   1.4584 -3.057289 2.916828 
1 1 1   14    4    3 o  191.491   1.2617 -4.318878 2.523372 
1 1 1   14    4    4 o  154.201   1.2608 0.1599579 2.521637 
1 1 1   14    4    5 o  541.786   3.0867 -1.708923 6.173327 
1 1 1   14    4    6 o  275.135   1.7002 -4.816071 3.400448 
1 1 1   14    4    7 f  249.650   1.5000 3.656082 2.999929 
1 1 1   14    4    8 o  153.913   1.4632 -2.653854 2.926442 
1 1 1   14    4    9 o  433.267   2.8873 -23.06766 5.774674 
1 1 1   14    4   10 f  551.198   2.9247 -4.526672 5.849367 
1 1 1   14    4   11 o  633.250   3.3460 1.817078 6.691971 
1 1 1   14    4   12 o  141.652   1.8814 0.5066528 3.762794 
1 1 1   14    4   13 o  928.087   4.8715 0.8687134 9.743042 
1 1 1   14    4   14 o  254.680   1.7506 -1.457367 3.501138 
1 1 1   14    4   15 o  232.112   1.7993 -0.3128815 3.598619 
1 1 1   14    4   16 o  251.828   2.6883 4.185928 5.376509 
1 1 1   14    4   17 o  591.308   3.1855 3.557617 6.370916 
1 1 1   14    4   18 o  121.901   3.4408 4.899391 6.881558 
1 1 1   14    4   19 o   23.676   7.8322 5.377583 15.66442 
1 1 1   14    4   20 o  552.454   3.1445 0.8608398 6.288999 
1 1 1   14    4   21 o  246.825   2.4644 9.877670 4.928800 
1 1 1   14    4   22 o  284.447   2.3836 -2.602570 4.767122 
1 1 1   14    4   23 o  108.366   4.7645 -12.73823 9.528934 
1 1 1   14    4   24 o   42.593   9.7973 -10.20828 19.59455 
1 1 1   14    4   25 o  299.980   2.6797 2.927277 5.359426 
1 1 1   14    4   26 o   77.891   6.1157 9.394035 12.23141 
1 1 1   14    4   27 o   32.178   9.3491 -1.196404 18.69820 
1 1 1   14    4   28 o  181.669   2.8620 -2.457565 5.724003 
1 1 1   14    4   29 o  220.408   2.5020 2.732147 5.003948 
1 1 1   14    4   30 o  190.774   3.2673 20.57314 6.534684 
1 1 1   14    4   31 o   35.483   9.2927 -11.44037 18.58542 
1 1 1   14    4   32 o   36.870   8.9053 19.73075 17.81063 
1 1 1   14    4   33 o   38.353   9.7428 0.7473145 19.48555 
1 1 1   14    4   34 o   40.261   9.6059 -15.87277 19.21182 
1 1 1   14    4   35 o   47.608   9.4602 11.56628 18.92042 
1 1 1   14    4   36 o   35.992   8.8469 -13.65743 17.69380 
1 1 1   14    5    0 o  561.904   4.1861 0.000000 0.000000 
1 1 1   14    5    1 o  428.240   2.2761 -5.113739 4.552101 
1 1 1   14    5    2 o  258.447   1.4808 -1.361481 2.961545 
1 1 1   14    5    3 o  371.915   2.0025 4.766876 4.004916 
1 1 1   14    5    4 o  447.821   2.5723 2.222748 5.144534 
1 1 1   14    5    5 o  154.731   1.3313 -4.659805 2.662662 
1 1 1   14    5    6 o  291.455   1.6502 -5.496704 3.300473 
1 1 1   14    5    7 o  407.849   2.6879 0.1982422 5.375744 
1 1 1   14    5    8 o  345.310   1.9100 -1.483429 3.819921 
1 1 1   14    5    9 o  599.930   3.4217 1.228699 6.843480 
1 1 1   14    5   10 o  292.047   1.8781 4.199219 3.756217 
1 1 1   14    5   11 o   30.958   5.8273 -26.47807 11.65454 
1 1 1   14    5   12 o  256.172   1.6977 -0.2111816 3.395332 
1 1 1   14    5   13 o  194.783   1.7291 -0.8766632 3.458189 
1 1 1   14    5   14 o  257.527   1.7543 1.308624 3.508683 
1 1 1   14    5   15 o  414.501   2.3254 -0.5830994 4.650758 
1 1 1   14    5   16 o  356.168   2.2982 10.02917 4.596406 
1 1 1   14    5   17 o   17.127   5.9979 -2.500501 11.99577 
1 1 1   14    5   18 o  214.098   2.3874 2.319473 4.774820 
1 1 1   14    5   19 o  168.384   2.9463 4.176758 5.892682 
1 1 1   14    5   20 o   54.905   8.2291 -33.05836 16.45815 
1 1 1   14    5   21 o  372.550   2.5003 1.984619 5.000629 
1 1 1   14    5   22 o  385.379   2.5126 -6.097687 5.025105 
1 1 1   14    5   23 o   85.675   6.0727 7.373184 12.14537 
1 1 1   14    5   24 f  198.286   2.8685 7.696381 5.736971 
1 1 1   14    5   25 o   64.915   7.7052 11.53547 15.41045 
1 1 1   14    5   26 o  137.386   3.6145 -8.467743 7.228992 
1 1 1   14    5   27 o   94.783   5.6358 -0.1139069 11.27159 
1 1 1   14    5   28 o  201.581   2.6143 4.609344 5.228610 
1 1 1   14    5   29 o   50.244   9.2462 -7.192127 18.49236 
1 1 1   14    5   30 o   67.677   6.9898 -21.03736 13.97965 
1 1 1   14    5   31 o   78.018   5.9937 6.128609 11.98742 
1 1 1   14    5   32 o   41.313   9.6467 -7.066422 19.29340 
1 1 1   14    5   33 o  114.309   4.3611 6.741165 8.722149 
1 1 1   14    5   34 o   32.851   9.3347 8.871872 18.66948 
1 1 1   14    5   35 o   51.204   9.3683 5.918926 18.73660 
1 1 1   14    5   36 o   28.584   8.5015 -9.832594 17.00308 
1 1 1   14    6    0 o   73.116   2.7276 0.000000 0.000000 
1 1 1   14    6    1 o   39.426   3.6493 5.545876 7.298560 
1 1 1   14    6    2 o  567.950   3.2292 -1.111877 6.458388 
1 1 1   14    6    3 o  431.402   2.3002 -7.326569 4.600303 
1 1 1   14    6    4 o  264.703   1.6392 -1.599792 3.278440 
1 1 1   14    6    5 o  323.887   1.9462 -7.269501 3.892314 
1 1 1   14    6    6 o  398.731   2.1502 -2.001099 4.300332 
1 1 1   14    6    7 o  257.903   1.5354 -2.165131 3.070787 
1 1 1   14    6    8 o  118.250   1.6662 -4.789375 3.332303 
1 1 1   14    6    9 o  463.581   2.6811 3.354980 5.362105 
1 1 1   14    6   10 o  406.270   2.2187 2.674561 4.437445 
1 1 1   14    6   11 f  841.896   4.4235 4.210266 8.846989 
1 1 1   14    6   12 o  128.672   2.0874 -10.56458 4.174724 
1 1 1   14    6   13 o  346.380   2.0056 -2.438934 4.011138 
1 1 1   14    6   14 o  306.061   1.8891 3.146606 3.778125 
1 1 1   14    6   15 f  190.053   1.9568 -3.298401 3.913661 
1 1 1   14    6   16 o  167.102   3.2403 -3.688766 6.480634 
1 1 1   14    6   17 o  477.486   2.7550 -0.5917358 5.509968 
1 1 1   14    6   18 o  347.518   2.8724 5.839050 5.744765 
1 1 1   14    6   19 o  304.023   2.2559 1.854919 4.511806 
1 1 1   14    6   20 o  102.997   5.4513 39.60720 10.90261 
1 1 1   14    6   21 o  137.213   3.6027 5.889069 7.205470 
1 1 1   14    6   22 o  104.239   4.9571 -6.282898 9.914271 
1 1 1   14    6   23 o  316.221   2.4039 -2.080811 4.807710 
1 1 1   14    6   24 o   29.813   8.9767 -8.039461 17.95347 
1 1 1   14    6   25 o   71.304   7.4150 19.51661 14.83004 
1 1 1   14    6   26 o   51.190   9.2846 -7.690224 18.56914 
1 1 1   14    6   27 o  171.536   2.9279 0.1128235 5.855837 
1 1 1   14    6   28 o   51.250   9.3263 8.731682 18.65257 
1 1 1   14    6   29 o  152.575   3.5463 1.986969 7.092544 
1 1 1   14    6   30 o  127.383   3.8111 -7.586594 7.622295 
1 1 1   14    6   31 o   53.301   8.6397 -7.210793 17.27945 
1 1 1   14    6   32 o   27.412   8.4809 -9.155966 16.96184 
1 1 1   14    6   33 o   32.613   9.2529 7.307318 18.50586 
1 1 1   14    6   34 o   28.592   8.8634 2.480623 17.72689 
1 1 1   14    6   35 o  113.787   4.2861 0.1104736 8.572253 
1 1 1   14    6   36 f   30.269   8.2161 16.75173 16.43227 
1 1 1   14    7    0 o   9.9619   5.0398 0.000000 0.000000 
1 1 1   14    7    1 o  257.198   1.4908 3.358078 2.981542 
1 1 1   14    7    2 o  114.059   1.6157 1.160530 3.231344 
1 1 1   14    7    3 o  115.504   1.6498 1.593788 3.299523 
1 1 1   14    7    4 o  564.089   2.9747 4.485352 5.949367 
1 1 1   14    7    5 o  327.240   1.8050 0.3762512 3.609989 
1 1 1   14    7    6 o  199.316   1.3793 0.2728424 2.758522 
1 1 1   14    7    7 o   97.231   1.8562 -0.3201599 3.712467 
1 1 1   14    7    8 o  200.964   1.5461 -3.304413 3.092195 
1 1 1   14    7    9 o  213.441   1.6154 -4.001450 3.230707 
1 1 1   14    7   10 f  290.113   1.7573 0.8030396 3.514624 
1 1 1   14    7   11 o  389.443   2.1643 2.833893 4.328681 
1 1 1   14    7   12 o   80.007   3.6002 10.60584 7.200340 
1 1 1   14    7   13 o  184.525   1.7793 1.172119 3.558670 
1 1 1   14    7   14 o  312.024   1.9311 1.673279 3.862215 
1 1 1   14    7   15 o  138.188   2.6823 -9.256592 5.364562 
1 1 1   14    7   16 o  302.469   2.4947 9.522034 4.989393 
1 1 1   14    7   17 o  373.047   2.3701 4.782990 4.740187 
1 1 1   14    7   18 o  119.824   4.3486 -33.94265 8.697160 
1 1 1   14    7   19 o   68.827   6.5260 4.550392 13.05196 
1 1 1   14    7   20 o  315.756   2.9820 6.120422 5.963996 
1 1 1   14    7   21 o   65.429   7.2505 6.924927 14.50091 
1 1 1   14    7   22 o  309.879   2.3986 -1.377136 4.797133 
1 1 1   14    7   23 o  180.288   2.9975 -1.387405 5.995011 
1 1 1   14    7   24 o  160.907   3.3321 2.571548 6.664141 
1 1 1   14    7   25 o  142.878   3.5649 -7.445526 7.129891 
1 1 1   14    7   26 o   81.056   5.6221 -7.835159 11.24411 
1 1 1   14    7   27 o   94.011   4.9573 3.675758 9.914692 
1 1 1   14    7   28 o  130.982   3.6936 -6.906219 7.387299 
1 1 1   14    7   29 o  125.062   3.9975 17.84571 7.994911 
1 1 1   14    7   30 o   94.426   5.1375 0.2515640 10.27509 
1 1 1   14    7   31 o   30.160   9.0892 -0.3898182 18.17832 
1 1 1   14    7   32 o   52.133   8.9283 4.850121 17.85668 
1 1 1   14    7   33 o   56.900   8.6477 -24.97554 17.29545 
1 1 1   14    7   34 o   69.343   7.0897 -6.189232 14.17938 
1 1 1   14    7   35 o   65.788   7.5024 -17.65680 15.00480 
1 1 1   14    7   36 o   27.663   8.2325 -11.29715 16.46494 
1 1 1   14    8    0 o  692.306   5.1463 0.000000 0.000000 
1 1 1   14    8    1 o  151.177   1.3145 0.3923798 2.629052 
1 1 1   14    8    2 o  717.405   3.7655 3.431824 7.530913 
1 1 1   14    8    3 o  540.670   2.8558 2.759705 5.711512 
1 1 1   14    8    4 o  219.869   1.3976 4.716217 2.795201 
1 1 1   14    8    5 o  250.717   1.5020 1.226654 3.003942 
1 1 1   14    8    6 o  377.787   2.0553 5.638916 4.110628 
1 1 1   14    8    7 o  232.055   1.6086 -1.035416 3.217299 
1 1 1   14    8    8 o   63.656   2.9768 -2.906490 5.953543 
1 1 1   14    8    9 o  230.004   1.6780 -0.5641022 3.355992 
1 1 1   14    8   10 o  172.544   1.6194 0.5475769 3.238822 
1 1 1   14    8   11 o  355.502   2.0324 -2.944397 4.064785 
1 1 1   14    8   12 o  213.753   1.8001 4.071823 3.600186 
1 1 1   14    8   13 o  488.895   2.6498 0.8658752 5.299605 
1 1 1   14    8   14 o   85.979   3.5210 7.059280 7.042079 
1 1 1   14    8   15 o  170.539   3.0280 34.76566 6.056047 
1 1 1   14    8   16 o  272.425   2.0797 6.044159 4.159356 
1 1 1   14    8   17 o   68.881   7.7222 31.55249 15.44448 
1 1 1   14    8   18 o   98.088   5.3118 39.50923 10.62361 
1 1 1   14    8   19 f  130.286   3.6037 11.54416 7.207447 
1 1 1   14    8   20 o   34.601   9.3553 -2.232086 18.71053 
1 1 1   14    8   21 o  180.983   2.8574 -2.243927 5.714723 
1 1 1   14    8   22 f  146.507   3.4905 9.600571 6.980915 
1 1 1   14    8   23 o  285.625   2.4272 1.930054 4.854390 
1 1 1   14    8   24 f  169.298   3.1004 8.253647 6.200709 
1 1 1   14    8   25 o  105.302   4.5078 -11.74091 9.015683 
1 1 1   14    8   26 o  123.506   3.7874 3.124176 7.574886 
1 1 1   14    8   27 o  208.391   2.5947 -2.090820 5.189335 
1 1 1   14    8   28 o   46.633   9.0235 -9.267250 18.04706 
1 1 1   14    8   29 o  113.003   4.0307 5.785728 8.061323 
1 1 1   14    8   30 o   77.252   6.0507 -0.7325592 12.10141 
1 1 1   14    8   31 o   38.528   9.0221 -16.18650 18.04422 
1 1 1   14    8   32 o   89.829   5.2656 -7.441910 10.53124 
1 1 1   14    8   33 o   41.606   9.8767 -4.211452 19.75333 
1 1 1   14    8   34 o  119.219   4.0839 -0.1268082 8.167882 
1 1 1   14    8   35 o   53.019   8.3798 18.08214 16.75955 
1 1 1   14    9    0 o  160.260   2.8849 0.000000 0.000000 
1 1 1   14    9    1 o  275.673   1.5865 2.445770 3.173033 
1 1 1   14    9    2 o  427.464   2.2881 5.110992 4.576242 
1 1 1   14    9    3 o  174.297   1.4076 -3.098511 2.815226 
1 1 1   14    9    4 o  510.913   2.7090 7.118164 5.418090 
1 1 1   14    9    5 o  115.917   1.8597 -0.3105087 3.719482 
1 1 1   14    9    6 o  220.333   1.4580 -3.168549 2.915984 
1 1 1   14    9    7 o  163.739   1.5601 -6.650955 3.120170 
1 1 1   14    9    8 o  463.805   2.4904 1.753693 4.980880 
1 1 1   14    9    9 o  404.477   2.3926 0.8388672 4.785255 
1 1 1   14    9   10 o  357.990   2.3666 2.210266 4.733268 
1 1 1   14    9   11 o   91.264   2.7090 -4.215889 5.417922 
1 1 1   14    9   12 o  305.458   1.8643 0.3984070 3.728596 
1 1 1   14    9   13 o  325.561   1.9762 3.520660 3.952344 
1 1 1   14    9   14 o  533.125   2.8898 -4.854309 5.779554 
1 1 1   14    9   15 f  222.558   2.5837 -0.2110748 5.167327 
1 1 1   14    9   16 o  193.961   2.3511 2.885544 4.702243 
1 1 1   14    9   17 o  385.289   3.3715 -44.79080 6.743046 
1 1 1   14    9   18 o  171.775   2.7087 -0.4823303 5.417439 
1 1 1   14    9   19 f  541.190   3.6983 26.13788 7.396593 
1 1 1   14    9   20 o  354.967   2.4346 0.2670593 4.869162 
1 1 1   14    9   21 o  191.674   2.7879 -0.3260345 5.575737 
1 1 1   14    9   22 o  134.850   3.7139 -1.009323 7.427746 
1 1 1   14    9   23 o  196.233   2.8761 -0.8567963 5.752290 
1 1 1   14    9   24 o  116.503   4.3039 -8.452744 8.607764 
1 1 1   14    9   25 o  108.692   4.4899 10.63537 8.979818 
1 1 1   14    9   26 o   38.187   9.2009 -14.27379 18.40183 
1 1 1   14    9   27 o   87.102   5.1389 -4.061867 10.27774 
1 1 1   14    9   28 o  143.154   3.3172 1.184631 6.634399 
1 1 1   14    9   29 o  100.050   5.7846 -7.705681 11.56917 
1 1 1   14    9   30 o  100.045   4.4017 5.604362 8.803456 
1 1 1   14    9   31 o  127.825   3.7415 7.256279 7.482965 
1 1 1   14    9   32 o   52.589   8.1876 -29.86934 16.37517 
1 1 1   14    9   33 o   73.487   6.6283 -5.210739 13.25665 
1 1 1   14    9   34 o  112.959   4.1989 2.625694 8.397710 
1 1 1   14    9   35 o   34.316   8.7727 -14.59101 17.54539 
1 1 1   14   10    0 o  231.492   2.4304 0.000000 0.000000 
1 1 1   14   10    1 o  658.659   3.4657 -1.028625 6.931420 
1 1 1   14   10    2 o  313.465   1.7636 0.5378418 3.527283 
1 1 1   14   10    3 o  398.041   2.3303 -1.909851 4.660524 
1 1 1   14   10    4 o  492.100   2.8276 -0.5816040 5.655282 
1 1 1   14   10    5 o  262.266   1.5815 -2.356812 3.162973 
1 1 1   14   10    6 o  116.970   1.6747 -4.862679 3.349485 
1 1 1   14   10    7 o  366.361   2.1823 -4.887726 4.364600 
1 1 1   14   10    8 o  183.743   1.5421 4.070038 3.084275 
1 1 1   14   10    9 o  288.654   2.0369 -2.683197 4.073770 
1 1 1   14   10   10 o  234.581   1.6449 0.8752899 3.289892 
1 1 1   14   10   11 o  187.191   1.9334 -1.779907 3.866871 
1 1 1   14   10   12 o  194.374   1.7525 -0.4448853 3.505061 
1 1 1   14   10   13 o  508.530   2.7621 0.5910645 5.524146 
1 1 1   14   10   14 o  266.949   2.7818 9.830475 5.563647 
1 1 1   14   10   15 o  141.184   2.8586 3.693466 5.717117 
1 1 1   14   10   16 o  311.490   2.3316 -10.51929 4.663219 
1 1 1   14   10   17 o  171.200   2.7858 22.38860 5.571517 
1 1 1   14   10   18 f  366.014   2.4158 3.404785 4.831644 
1 1 1   14   10   19 o  129.201   3.6114 11.46801 7.222851 
1 1 1   14   10   20 o  433.140   2.6549 1.076385 5.309846 
1 1 1   14   10   21 o  290.640   2.5001 9.636169 5.000206 
1 1 1   14   10   22 o  137.161   3.6132 -1.253769 7.226496 
1 1 1   14   10   23 o   79.462   6.0635 9.010201 12.12703 
1 1 1   14   10   24 o   71.015   6.6001 8.205292 13.20019 
1 1 1   14   10   25 o  230.568   2.4152 1.777298 4.830338 
1 1 1   14   10   26 o   83.249   5.2292 12.13737 10.45847 
1 1 1   14   10   27 o   33.752   9.1718 1.610210 18.34357 
1 1 1   14   10   28 o  104.480   4.5188 -1.640175 9.037617 
1 1 1   14   10   29 o   22.080   7.4066 7.821844 14.81328 
1 1 1   14   10   30 o   45.112   9.2143 -3.554943 18.42863 
1 1 1   14   10   31 o   28.340   8.5883 -4.042000 17.17653 
1 1 1   14   10   32 o   59.773   7.6717 -16.22283 15.34344 
1 1 1   14   10   33 o   66.502   7.1511 7.529499 14.30213 
1 1 1   14   10   34 o   29.936   8.8981 6.055611 17.79624 
1 1 1   14   10   35 o   25.662   8.1036 -7.821573 16.20721 
1 1 1   14   11    0 x  ?   ?       ?      ? 
1 1 1   14   11    1 o  374.634   2.5113 -11.09335 5.022660 
1 1 1   14   11    2 o  196.496   1.5239 -0.6320801 3.047845 
1 1 1   14   11    3 o  825.796   4.3349 0.1850586 8.669839 
1 1 1   14   11    4 o  148.535   1.5045 0.8731842 3.008918 
1 1 1   14   11    5 f  294.928   1.7204 -3.645447 3.440884 
1 1 1   14   11    6 f  385.805   2.2892 6.641846 4.578397 
1 1 1   14   11    7 o  213.164   1.8658 19.73280 3.731699 
1 1 1   14   11    8 o  597.885   3.1713 8.380676 6.342606 
1 1 1   14   11    9 o  327.479   2.0445 -1.014435 4.088994 
1 1 1   14   11   10 o   66.503   3.6105 18.88835 7.221067 
1 1 1   14   11   11 o  454.379   2.4820 2.367706 4.963943 
1 1 1   14   11   12 o  169.941   2.2415 -5.539612 4.483043 
1 1 1   14   11   13 o  181.134   3.6128      ?      ? 
1 1 1   14   11   14 o  181.708   2.3383 5.426849 4.676527 
1 1 1   14   11   15 o  479.489   2.7803 6.672150 5.560596 
1 1 1   14   11   16 o  184.945   3.4574 -19.08461 6.914804 
1 1 1   14   11   17 o  234.840   2.3022 2.921783 4.604422 
1 1 1   14   11   18 o  252.999   4.1787      ?      ? 
1 1 1   14   11   19 o  358.621   2.4089 4.478058 4.817782 
1 1 1   14   11   20 o  138.608   3.5914 -7.330856 7.182893 
1 1 1   14   11   21 o  137.707   3.5918 -0.2082977 7.183692 
1 1 1   14   11   22 o  253.365   2.3978 -3.928528 4.795613 
1 1 1   14   11   23 o  143.947   3.3311 2.518387 6.662142 
1 1 1   14   11   24 o  349.630   2.4047 -3.992645 4.809317 
1 1 1   14   11   25 o  129.007   3.6135 -4.052216 7.227040 
1 1 1   14   11   26 o  130.842   3.5276 5.428055 7.055241 
1 1 1   14   11   27 o   73.409   5.9733 1.569618 11.94665 
1 1 1   14   11   28 o   73.389   6.9565 4.396820 13.91310 
1 1 1   14   11   29 o  128.345   3.6813 -0.8468857 7.362514 
1 1 1   14   11   30 o  106.080   4.3528 3.613602 8.705665 
1 1 1   14   11   31 o   34.609   8.9937 20.64859 17.98747 
1 1 1   14   11   32 o   35.251   9.3338 12.88226 18.66769 
1 1 1   14   11   33 o  154.931   3.2225 -3.847244 6.445051 
1 1 1   14   11   34 o   29.053   8.9524 3.784657 17.90482 
1 1 1   14   11   35 o   74.760   5.7312 2.005486 11.46244 
1 1 1   14   12    0 o  288.158   2.8652 0.000000 0.000000 
1 1 1   14   12    1 o  301.638   1.9080 -2.533325 3.816024 
1 1 1   14   12    2 o  236.612   1.6461 -9.495514 3.292209 
1 1 1   14   12    3 o  164.646   1.5239 -1.159714 3.047810 
1 1 1   14   12    4 o  380.811   2.0942 2.431335 4.188398 
1 1 1   14   12    5 o   54.802   3.7646 7.513988 7.529280 
1 1 1   14   12    6 o   95.188   2.9058 2.856491 5.811537 
1 1 1   14   12    7 o  482.097   2.8015 9.448090 5.602938 
1 1 1   14   12    8 o  316.919   2.0020 3.668152 4.003948 
1 1 1   14   12    9 o  352.031   2.1683 1.456421 4.336680 
1 1 1   14   12   10 o  180.900   1.9502 1.816193 3.900397 
1 1 1   14   12   11 o  278.597   1.8209 -1.120697 3.641836 
1 1 1   14   12   12 o  263.112   2.4735 32.67679 4.946981 
1 1 1   14   12   13 f  318.682   2.2119 1.341217 4.423738 
1 1 1   14   12   14 o  301.204   2.2262 0.9510498 4.452304 
1 1 1   14   12   15 o  312.193   2.4259 -17.61465 4.851833 
1 1 1   14   12   16 o  328.435   2.2535 -1.639465 4.507090 
1 1 1   14   12   17 o  439.461   2.6502 0.6196594 5.300416 
1 1 1   14   12   18 o  477.948   2.8102 -0.4868164 5.620345 
1 1 1   14   12   19 o  233.481   2.3815 3.961197 4.762996 
1 1 1   14   12   20 o  173.937   2.8424 4.696564 5.684840 
1 1 1   14   12   21 o  219.294   2.4733 3.426010 4.946509 
1 1 1   14   12   22 o   74.794   6.5756 -9.494499 13.15125 
1 1 1   14   12   23 o  122.466   4.0111 -1.989853 8.022214 
1 1 1   14   12   24 f  163.237   2.9646 -5.653091 5.929257 
1 1 1   14   12   25 o   23.491   7.7269 -1.298315 15.45376 
1 1 1   14   12   26 o  244.274   2.2884 2.172211 4.576897 
1 1 1   14   12   27 o   21.864   7.3336 3.112228 14.66710 
1 1 1   14   12   28 o   25.858   7.9999 15.96159 15.99984 
1 1 1   14   12   29 o   93.797   4.8095 -1.036850 9.618945 
1 1 1   14   12   30 o   25.848   8.1746 4.586926 16.34917 
1 1 1   14   12   31 o   39.460   9.6451 6.784977 19.29015 
1 1 1   14   12   32 f  132.140   4.3023 -5.922379 8.604523 
1 1 1   14   12   33 o   22.038   7.4562 -1.981421 14.91236 
1 1 1   14   12   34 o   30.303   8.5934 -9.107410 17.18676 
1 1 1   14   13    0 o  210.778   2.8864 0.000000 0.000000 
1 1 1   14   13    1 o  303.681   2.2511 0.2346802E-01 4.502233 
1 1 1   14   13    2 o  641.982   3.3939 7.873352 6.787842 
1 1 1   14   13    3 o  194.908   2.0609 3.757599 4.121733 
1 1 1   14   13    4 o   79.367   3.0955 11.67033 6.191058 
1 1 1   14   13    5 o  508.843   2.7226 -1.666107 5.445221 
1 1 1   14   13    6 o  589.766   3.1310 1.768250 6.262006 
1 1 1   14   13    7 o  168.426   1.7123 7.797028 3.424644 
1 1 1   14   13    8 f  311.012   1.8599 0.9219055 3.719870 
1 1 1   14   13    9 o  205.233   1.6916 0.2531891 3.383271 
1 1 1   14   13   10 o  311.056   1.9256 -4.984039 3.851126 
1 1 1   14   13   11 o  326.672   2.5084 3.005249 5.016793 
1 1 1   14   13   12 o  326.999   2.2089 4.508057 4.417814 
1 1 1   14   13   13 o  266.239   2.0877 0.6233826 4.175480 
1 1 1   14   13   14 o  459.092   3.2381 13.30756 6.476283 
1 1 1   14   13   15 o  118.938   3.3885 -2.361954 6.777062 
1 1 1   14   13   16 o  268.749   2.3567 13.85095 4.713304 
1 1 1   14   13   17 o  434.102   2.6268 4.669159 5.253693 
1 1 1   14   13   18 o  232.195   2.3485 -0.9696350 4.697062 
1 1 1   14   13   19 o   83.720   5.4018 13.25941 10.80362 
1 1 1   14   13   20 o  104.200   4.4646 -3.321777 8.929136 
1 1 1   14   13   21 o  128.170   3.6475 -4.110931 7.294930 
1 1 1   14   13   22 f  289.359   2.2943 2.185059 4.588530 
1 1 1   14   13   23 o  175.792   2.7655 5.445374 5.530938 
1 1 1   14   13   24 o  184.247   2.6481 0.9955750 5.296127 
1 1 1   14   13   25 o   26.165   8.0682 -5.673939 16.13645 
1 1 1   14   13   26 o   38.706   8.8184 -10.98651 17.63678 
1 1 1   14   13   27 o  138.202   3.2580 10.83717 6.516072 
1 1 1   14   13   28 o   70.188   6.3908 -12.33141 12.78154 
1 1 1   14   13   29 o   46.671   9.0402 5.471989 18.08030 
1 1 1   14   13   30 o   81.058   8.6714 91.53851 17.34281 
1 1 1   14   13   31 o   94.319   4.9322 6.774834 9.864482 
1 1 1   14   13   32 o   70.422   6.6797 0.2488022 13.35940 
1 1 1   14   13   33 o   25.213   8.0963 -2.577116 16.19260 
1 1 1   14   13   34 o   49.265   8.0908 15.60734 16.18163 
1 1 1   14   14    0 o  338.236   2.7473 0.000000 0.000000 
1 1 1   14   14    1 o  563.749   3.0002 -1.864868 6.000428 
1 1 1   14   14    2 o  300.361   1.7976 0.1715088E-01 3.595199 
1 1 1   14   14    3 o  329.351   1.9021 -2.660034 3.804278 
1 1 1   14   14    4 o  180.204   1.6234 -1.011139 3.246857 
1 1 1   14   14    5 o  408.741   2.2522 0.2749329 4.504439 
1 1 1   14   14    6 f  252.186   1.6846 -1.155731 3.369269 
1 1 1   14   14    7 o  297.431   1.9647 -3.400574 3.929497 
1 1 1   14   14    8 o  302.918   1.9949 -14.35010 3.989716 
1 1 1   14   14    9 o  269.510   2.0795 9.529449 4.158912 
1 1 1   14   14   10 o  350.171   2.2946 -4.066040 4.589127 
1 1 1   14   14   11 o  285.819   1.9176 7.199310 3.835139 
1 1 1   14   14   12 o  231.003   2.3508 13.58383 4.701538 
1 1 1   14   14   13 o  156.222   3.8774 -50.69058 7.754889 
1 1 1   14   14   14 o  224.722   2.3173 -4.599899 4.634532 
1 1 1   14   14   15 o  202.279   2.3461 -0.1449280 4.692192 
1 1 1   14   14   16 o  230.017   2.3700 0.1343384 4.740083 
1 1 1   14   14   17 o   19.743   6.8022 5.043404 13.60436 
1 1 1   14   14   18 o  297.688   2.5603 -9.324585 5.120539 
1 1 1   14   14   19 o   67.920   6.4046 22.88975 12.80920 
1 1 1   14   14   20 f   67.232   6.6000 27.66960 13.19992 
1 1 1   14   14   21 o  100.507   4.4857 1.528687 8.971412 
1 1 1   14   14   22 o  191.600   2.6805 3.369263 5.361019 
1 1 1   14   14   23 o   28.216   8.3980 18.36966 16.79602 
1 1 1   14   14   24 o  186.316   2.6294 0.2351685 5.258785 
1 1 1   14   14   25 o   77.636   5.5220 -7.106056 11.04401 
1 1 1   14   14   26 o  132.085   3.3775 -1.124390 6.754911 
1 1 1   14   14   27 o   54.205   7.9883 -28.61637 15.97651 
1 1 1   14   14   28 o   30.059   9.2547 8.080137 18.50945 
1 1 1   14   14   29 o   92.763   4.5688 -3.032715 9.137670 
1 1 1   14   14   30 o   44.605   9.3263 -8.567577 18.65261 
1 1 1   14   14   31 o  150.352   3.2390 -4.053024 6.478050 
1 1 1   14   14   32 o   39.182   9.4084 -0.1124687 18.81673 
1 1 1   14   14   33 o   77.271   5.4864 9.887466 10.97283 
1 1 1   14   15    0 f  101.978   3.5299 0.000000 0.000000 
1 1 1   14   15    1 o  395.647   2.3656 7.712189 4.731165 
1 1 1   14   15    2 o  135.743   2.0325 3.114975 4.065004 
1 1 1   14   15    3 o  517.531   2.7777 1.377625 5.555353 
1 1 1   14   15    4 o  286.169   1.7767 -2.581238 3.553481 
1 1 1   14   15    5 o  470.058   2.5613 -2.070618 5.122675 
1 1 1   14   15    6 o  108.657   2.7226 -38.75642 5.445286 
1 1 1   14   15    7 o  255.212   2.1210 -10.36914 4.241910 
1 1 1   14   15    8 o  496.827   3.1356 2.700928 6.271285 
1 1 1   14   15    9 o  454.018   2.5295 0.7334900 5.058915 
1 1 1   14   15   10 o  326.770   2.0280 6.004059 4.055941 
1 1 1   14   15   11 o  421.091   2.5033 4.945343 5.006610 
1 1 1   14   15   12 o   57.091   6.0206 12.86067 12.04117 
1 1 1   14   15   13 o  166.905   2.5098 -5.916855 5.019551 
1 1 1   14   15   14 o   26.323   7.8444 22.28943 15.68878 
1 1 1   14   15   15 o  261.637   2.5958 5.363098 5.191666 
1 1 1   14   15   16 o  277.059   2.2496 2.579742 4.499170 
1 1 1   14   15   17 o  133.767   3.3268 6.659943 6.653669 
1 1 1   14   15   18 o  271.045   2.2843 -2.192352 4.568636 
1 1 1   14   15   19 o   36.050   9.1254 2.143330 18.25077 
1 1 1   14   15   20 f   78.811   5.4181 3.260117 10.83626 
1 1 1   14   15   21 o  109.649   3.9123 -4.005669 7.824701 
1 1 1   14   15   22 o   74.604   5.3507 -0.5424957 10.70132 
1 1 1   14   15   23 o   79.869   5.0207 6.350227 10.04142 
1 1 1   14   15   24 o   96.203   4.1407 0.6961365 8.281422 
1 1 1   14   15   25 o  133.325   3.2207 1.807144 6.441492 
1 1 1   14   15   26 f  112.073   5.4678 -12.64822 10.93563 
1 1 1   14   15   27 o  144.342   3.0990 5.934555 6.198023 
1 1 1   14   15   28 o   30.397   8.7019 -2.858576 17.40385 
1 1 1   14   15   29 o   90.857   6.2729 -16.40478 12.54576 
1 1 1   14   15   30 o   48.097   9.0036 1.078732 18.00722 
1 1 1   14   15   31 o   36.430   9.2116 10.51254 18.42314 
1 1 1   14   15   32 o  144.544   3.5680 -4.637985 7.136056 
1 1 1   14   15   33 o   53.339   7.5007 -11.58757 15.00143 
1 1 1   14   16    0 o  103.168   3.7454 0.000000 0.000000 
1 1 1   14   16    1 o   88.983   3.0534 5.489670 6.106770 
1 1 1   14   16    2 o  569.511   3.0454 -7.505310 6.090787 
1 1 1   14   16    3 o  209.138   1.7983 6.541595 3.596613 
1 1 1   14   16    4 o  301.969   2.1078 -10.33569 4.215559 
1 1 1   14   16    5 o  218.612   2.2102 -8.089645 4.420474 
1 1 1   14   16    6 o  313.578   2.1525 0.6265869 4.304945 
1 1 1   14   16    7 o  378.326   2.4044 -5.868134 4.808823 
1 1 1   14   16    8 o  443.918   2.9057 2.350861 5.811375 
1 1 1   14   16    9 o  356.714   2.8917 6.986328 5.783373 
1 1 1   14   16   10 o  306.022   4.5113      ?      ? 
1 1 1   14   16   11 o   53.147   8.4012 -19.37766 16.80247 
1 1 1   14   16   12 o  123.599   3.8927 -1.328293 7.785390 
1 1 1   14   16   13 o   94.758   4.2067 -4.478600 8.413489 
1 1 1   14   16   14 o  155.064   2.6831 6.319839 5.366244 
1 1 1   14   16   15 o  208.922   2.4749 -2.447144 4.949775 
1 1 1   14   16   16 o  164.884   2.7431 -2.057526 5.486112 
1 1 1   14   16   17 o  292.872   2.4436 -3.330078 4.887181 
1 1 1   14   16   18 o   72.923   5.8756 -4.332840 11.75116 
1 1 1   14   16   19 o  265.348   2.2823 1.760529 4.564696 
1 1 1   14   16   20 o  163.325   2.7969 5.191956 5.593857 
1 1 1   14   16   21 o  212.086   2.3775 3.688812 4.754991 
1 1 1   14   16   22 f   58.755   7.2815 1.172527 14.56304 
1 1 1   14   16   23 o   81.560   5.0744 1.621689 10.14873 
1 1 1   14   16   24 o   51.990   9.5433 5.399540 19.08667 
1 1 1   14   16   25 o   59.552   8.5981 -22.25156 17.19628 
1 1 1   14   16   26 o  122.982   3.5127 -2.770020 7.025375 
1 1 1   14   16   27 o   36.395   8.9063 -14.22244 17.81260 
1 1 1   14   16   28 o   44.174   9.0137 15.64485 18.02730 
1 1 1   14   16   29 o   46.388   8.9310 -11.84392 17.86205 
1 1 1   14   16   30 o   46.446   9.2056 15.21403 18.41122 
1 1 1   14   16   31 o   58.350   7.9512 6.596081 15.90238 
1 1 1   14   16   32 o   36.904   9.0939 6.984886 18.18770 
1 1 1   14   16   33 x  ?   ?       ?      ? 
1 1 1   14   17    0 o  661.559   4.9802 0.000000 0.000000 
1 1 1   14   17    1 o  360.069   2.7514 -2.877533 5.502747 
1 1 1   14   17    2 o  285.199   2.0438 -15.94128 4.087520 
1 1 1   14   17    3 o   57.978   7.2388 -50.91451 14.47768 
1 1 1   14   17    4 o  244.721   2.3124 -1.056900 4.624860 
1 1 1   14   17    5 o  148.361   2.2116 -1.445358 4.423167 
1 1 1   14   17    6 o  472.203   2.6160 -1.911774 5.231994 
1 1 1   14   17    7 o   94.022   5.3225 4.755135 10.64497 
1 1 1   14   17    8 x  ?   ?       ?      ? 
1 1 1   14   17    9 o  381.511   2.6575 -7.108795 5.315003 
1 1 1   14   17   10 o  291.333   2.3976 -2.925842 4.795213 
1 1 1   14   17   11 o   61.730   7.6528 11.87490 15.30563 
1 1 1   14   17   12 o  287.908   3.0919 21.99280 6.183784 
1 1 1   14   17   13 o  327.243   2.5543 4.678101 5.108565 
1 1 1   14   17   14 o  279.969   2.5466 -3.670654 5.093104 
1 1 1   14   17   15 f  164.358   2.5404 2.058609 5.080844 
1 1 1   14   17   16 o  247.001   2.2353 9.191605 4.470696 
1 1 1   14   17   17 o  190.646   2.5434 -1.078094 5.086886 
1 1 1   14   17   18 f  220.025   2.3110 7.312454 4.621906 
1 1 1   14   17   19 o   40.250   8.7480 -1.278740 17.49599 
1 1 1   14   17   20 f  211.121   2.3951 2.272171 4.790296 
1 1 1   14   17   21 o   75.444   5.5586 -18.37693 11.11721 
1 1 1   14   17   22 o  184.404   2.4092 5.849854 4.818354 
1 1 1   14   17   23 o   38.956   8.7247 4.341648 17.44947 
1 1 1   14   17   24 o   34.070   8.6549 7.905838 17.30978 
1 1 1   14   17   25 o  115.627   3.5944 -19.72283 7.188724 
1 1 1   14   17   26 o   93.257   4.4713 -1.158470 8.942554 
1 1 1   14   17   27 o   26.761   8.1319 5.836927 16.26385 
1 1 1   14   17   28 o   68.903   7.2648 -10.24941 14.52958 
1 1 1   14   17   29 o  124.356   3.6706 5.331505 7.341111 
1 1 1   14   17   30 o   37.163   8.8240 -17.20755 17.64797 
1 1 1   14   17   31 f   24.189   7.8362 0.7523346 15.67247 
1 1 1   14   17   32 o   50.911   7.6902 -3.825157 15.38045 
1 1 1   14   18    0 o  334.761   2.9631 0.000000 0.000000 
1 1 1   14   18    1 o  385.887   2.2512 -4.229828 4.502484 
1 1 1   14   18    2 o  203.362   1.9701 0.3375854 3.940184 
1 1 1   14   18    3 o  269.142   1.9452 -4.681091 3.890454 
1 1 1   14   18    4 o   42.669   8.5915 23.96520 17.18292 
1 1 1   14   18    5 o  283.647   3.8839      ?      ? 
1 1 1   14   18    6 o  199.606   2.9101 -4.467728 5.820225 
1 1 1   14   18    7 o  285.144   2.4424 -0.9658813 4.884830 
1 1 1   14   18    8 f  266.588   2.6635 0.6881714E-01 5.326904 
1 1 1   14   18    9 o  201.325   2.6048 -1.500046 5.209549 
1 1 1   14   18   10 o  295.615   2.4910 3.352356 4.981995 
1 1 1   14   18   11 o  180.721   3.0015 -3.884781 6.003083 
1 1 1   14   18   12 o  159.695   3.1344 -3.713928 6.268873 
1 1 1   14   18   13 o  153.241   3.1964 -3.804291 6.392762 
1 1 1   14   18   14 f  246.692   2.5402 -2.060028 5.080306 
1 1 1   14   18   15 o   62.243   8.5055 7.778393 17.01101 
1 1 1   14   18   16 o  334.999   2.2799 6.982910 4.559892 
1 1 1   14   18   17 o  203.984   2.3177 -3.023102 4.635348 
1 1 1   14   18   18 o  160.802   2.7792 -2.036545 5.558361 
1 1 1   14   18   19 o  120.829   3.4131 1.083206 6.826282 
1 1 1   14   18   20 o  161.545   2.8081 -2.233200 5.616299 
1 1 1   14   18   21 o  196.858   2.3237 7.443527 4.647496 
1 1 1   14   18   22 o   49.015   8.2062 -2.805679 16.41248 
1 1 1   14   18   23 f  156.771   2.7092 2.400879 5.418394 
1 1 1   14   18   24 o  105.667   4.5596 -11.01662 9.119231 
1 1 1   14   18   25 o   80.069   4.7570 0.3570023 9.514082 
1 1 1   14   18   26 o   43.542   8.9792 -3.938656 17.95844 
1 1 1   14   18   27 o   99.026   4.1046 -1.375038 8.209158 
1 1 1   14   18   28 o   40.817   8.7638 -15.12155 17.52767 
1 1 1   14   18   29 o   30.107   8.6852 -5.907207 17.37037 
1 1 1   14   18   30 o   32.354   8.7783 14.16418 17.55657 
1 1 1   14   18   31 o   47.596   8.2260 7.099091 16.45200 
1 1 1   14   19    0 o  763.773   5.7356 0.000000 0.000000 
1 1 1   14   19    1 x  ?   ?       ?      ? 
1 1 1   14   19    2 o  216.689   2.0458 -1.796097 4.091562 
1 1 1   14   19    3 f  250.666   2.2658 16.38417 4.531607 
1 1 1   14   19    4 o  112.081   2.9344 -1.664207 5.868879 
1 1 1   14   19    5 o  380.194   2.2490 -0.9232788 4.497937 
1 1 1   14   19    6 o  193.096   2.9938 -3.279175 5.987541 
1 1 1   14   19    7 o  119.580   3.9994 -8.804939 7.998704 
1 1 1   14   19    8 o  161.879   3.0997 -1.907120 6.199390 
1 1 1   14   19    9 o  301.497   2.5019 2.483215 5.003804 
1 1 1   14   19   10 o  179.606   2.9571 -2.801422 5.914271 
1 1 1   14   19   11 o   71.430   6.5628 4.447044 13.12568 
1 1 1   14   19   12 o  166.165   2.9327 3.585281 5.865422 
1 1 1   14   19   13 o  321.122   2.5792 2.114685 5.158443 
1 1 1   14   19   14 o  282.015   2.5347 -1.850586 5.069423 
1 1 1   14   19   15 o  278.646   2.5688 -1.520569 5.137680 
1 1 1   14   19   16 o  232.649   2.6616 -1.221924 5.323218 
1 1 1   14   19   17 o  259.045   2.2330 2.692810 4.466083 
1 1 1   14   19   18 o   92.128   5.3406 7.451355 10.68129 
1 1 1   14   19   19 o  183.521   2.3386 -6.074249 4.677106 
1 1 1   14   19   20 f  111.124   3.5247 -9.960487 7.049444 
1 1 1   14   19   21 o   51.302   7.2548 -2.588924 14.50956 
1 1 1   14   19   22 o   46.801   7.5521 14.37196 15.10417 
1 1 1   14   19   23 o  157.974   3.1106 -2.539581 6.221200 
1 1 1   14   19   24 f   34.542   8.9271 7.650211 17.85426 
1 1 1   14   19   25 o  116.835   3.5659 -7.154823 7.131840 
1 1 1   14   19   26 o  122.850   3.4206 4.795860 6.841170 
1 1 1   14   19   27 o   53.703   7.7411 -5.711514 15.48219 
1 1 1   14   19   28 o   31.383   8.8112 -3.301531 17.62232 
1 1 1   14   19   29 o  108.039   4.2219 5.625542 8.443864 
1 1 1   14   19   30 o   31.006   8.6887 -4.691782 17.37736 
1 1 1   14   19   31 o   44.310   10.690 -17.56341 21.37939 
1 1 1   14   20    0 o  284.584   2.8705 0.000000 0.000000 
1 1 1   14   20    1 o  326.307   2.0956 -3.830933 4.191142 
1 1 1   14   20    2 o   99.154   3.5735 -3.980431 7.147041 
1 1 1   14   20    3 o  311.146   2.3481 -0.5067139 4.696268 
1 1 1   14   20    4 o  256.343   2.3049 3.631149 4.609770 
1 1 1   14   20    5 o  221.071   2.3636 -56.21548 4.727228 
1 1 1   14   20    6 f   76.383   10.555      ?      ? 
1 1 1   14   20    7 o  286.334   2.5141 -0.1468811 5.028220 
1 1 1   14   20    8 o  308.209   2.4805 2.591888 4.961004 
1 1 1   14   20    9 f  118.894   3.8879 -3.330917 7.775783 
1 1 1   14   20   10 o  333.116   2.5386 5.348450 5.077112 
1 1 1   14   20   11 o  130.753   3.6589 4.688766 7.317729 
1 1 1   14   20   12 o   83.003   5.9049 7.798058 11.80982 
1 1 1   14   20   13 o   97.273   5.0922 12.23082 10.18438 
1 1 1   14   20   14 o   61.060   8.1432 -0.9496956 16.28649 
1 1 1   14   20   15 o  193.256   2.8785 15.97647 5.756907 
1 1 1   14   20   16 o  115.646   5.1713 -1.327599 10.34256 
1 1 1   14   20   17 o  167.821   3.0993 -5.785706 6.198520 
1 1 1   14   20   18 o   63.878   6.0903 -8.220818 12.18050 
1 1 1   14   20   19 o  261.876   2.1266 -4.475494 4.253219 
1 1 1   14   20   20 o   22.669   7.2079 6.055420 14.41571 
1 1 1   14   20   21 o   43.785   8.0693 11.76396 16.13860 
1 1 1   14   20   22 o  147.700   2.9259 7.699539 5.851868 
1 1 1   14   20   23 o   90.375   4.4650 -3.954132 8.929910 
1 1 1   14   20   24 o   66.094   5.6579 -0.4384689 11.31579 
1 1 1   14   20   25 o  103.321   3.8101 -3.743950 7.620158 
1 1 1   14   20   26 o   39.888   8.3561 -6.709221 16.71217 
1 1 1   14   20   27 o   59.268   7.2381 -9.290859 14.47617 
1 1 1   14   20   28 o   27.540   8.3857 2.435411 16.77149 
1 1 1   14   20   29 o   29.940   8.6078 12.80707 17.21564 
1 1 1   14   20   30 o   61.838   6.3999 0.1078110 12.79986 
1 1 1   14   21    0 o   13.682   7.0813 0.000000 0.000000 
1 1 1   14   21    1 o  163.560   3.1356 -3.003281 6.271111 
1 1 1   14   21    2 o  190.778   2.3937 -10.65448 4.787433 
1 1 1   14   21    3 o  240.232   2.0219 -6.038147 4.043784 
1 1 1   14   21    4 o  117.951   2.9731 -6.051437 5.946198 
1 1 1   14   21    5 o  101.930   6.0313 7.967911 12.06257 
1 1 1   14   21    6 o  218.519   2.5377 -5.478745 5.075490 
1 1 1   14   21    7 o  455.289   3.0020 -3.212677 6.004071 
1 1 1   14   21    8 o  135.158   3.4140 -1.639893 6.828064 
1 1 1   14   21    9 o  210.396   3.1772 4.641525 6.354366 
1 1 1   14   21   10 o   76.114   6.3614 6.596016 12.72270 
1 1 1   14   21   11 o  132.822   3.7441 -9.735870 7.488144 
1 1 1   14   21   12 o   32.431   9.2806 6.540842 18.56124 
1 1 1   14   21   13 f  148.955   3.2649 1.239197 6.529745 
1 1 1   14   21   14 o  108.015   5.5604 -12.56970 11.12088 
1 1 1   14   21   15 o  237.343   2.6031 2.135178 5.206241 
1 1 1   14   21   16 o   34.959   9.2063 -9.443680 18.41265 
1 1 1   14   21   17 o   91.716   4.8677 1.937759 9.735356 
1 1 1   14   21   18 f  178.566   2.8480 5.655762 5.695982 
1 1 1   14   21   19 x  ?   ?       ?      ? 
1 1 1   14   21   20 o  111.399   3.4462 -1.049149 6.892426 
1 1 1   14   21   21 o   59.170   7.0427 -32.19878 14.08543 
1 1 1   14   21   22 o  105.188   3.5897 11.60941 7.179435 
1 1 1   14   21   23 o   90.497   4.2168 -3.425507 8.433626 
1 1 1   14   21   24 o   63.512   6.0215 -3.291908 12.04294 
1 1 1   14   21   25 o  121.989   3.3688 6.384415 6.737573 
1 1 1   14   21   26 o   29.173   7.9706 -11.73433 15.94128 
1 1 1   14   21   27 o  140.471   3.1667 -1.527237 6.333418 
1 1 1   14   21   28 o   25.145   8.1903 3.817802 16.38070 
1 1 1   14   21   29 o   51.889   8.0853 -18.64159 16.17053 
1 1 1   14   22    0 o  162.033   3.5616 0.000000 0.000000 
1 1 1   14   22    1 o  247.815   2.0436 -4.602081 4.087214 
1 1 1   14   22    2 o   82.023   4.4560 -5.352074 8.911986 
1 1 1   14   22    3 o   40.425   9.2027 4.341648 18.40545 
1 1 1   14   22    4 o  187.222   2.3828 -0.6059265E-01 4.765584 
1 1 1   14   22    5 o  171.556   2.9199 5.692368 5.839806 
1 1 1   14   22    6 o  181.952   2.8063 6.399658 5.612518 
1 1 1   14   22    7 o  125.706   3.7843 -2.684914 7.568616 
1 1 1   14   22    8 o   31.429   9.0523 -7.751022 18.10463 
1 1 1   14   22    9 o  106.578   4.6299 -2.948463 9.259863 
1 1 1   14   22   10 o  103.909   4.5823 -8.341293 9.164575 
1 1 1   14   22   11 o  157.583   3.1537 -1.071091 6.307463 
1 1 1   14   22   12 o  219.198   3.0541 4.472839 6.108147 
1 1 1   14   22   13 o  131.359   3.6176 -0.9866180 7.235267 
1 1 1   14   22   14 o  104.805   4.2967 -7.386841 8.593309 
1 1 1   14   22   15 o   88.143   4.8273 -11.83178 9.654510 
1 1 1   14   22   16 o   88.298   4.9901 4.615540 9.980205 
1 1 1   14   22   17 o  107.827   3.9510 4.725395 7.902045 
1 1 1   14   22   18 o   97.810   5.8356 21.31046 11.67124 
1 1 1   14   22   19 o  152.693   3.1312 4.306030 6.262300 
1 1 1   14   22   20 o   45.302   8.4521 -8.244732 16.90412 
1 1 1   14   22   21 o   42.769   8.0295 0.7532349 16.05894 
1 1 1   14   22   22 o   48.066   7.5029 -11.61169 15.00574 
1 1 1   14   22   23 o  103.811   3.6173 -8.752762 7.234627 
1 1 1   14   22   24 o   46.640   7.5338 -17.51511 15.06761 
1 1 1   14   22   25 o   94.444   4.0558 2.042900 8.111559 
1 1 1   14   22   26 o   85.520   4.6575 1.150574 9.315084 
1 1 1   14   22   27 o   20.133   6.8605 4.401396 13.72092 
1 1 1   14   22   28 o   37.062   7.4841 -26.52392 14.96827 
1 1 1   14   22   29 o   15.952   5.7119 2.127374 11.42373 
1 1 1   14   23    0 o   59.717   10.255 0.000000 0.000000 
1 1 1   14   23    1 o  203.865   2.2172 0.1211090 4.434391 
1 1 1   14   23    2 o  159.247   2.5678 -6.189758 5.135536 
1 1 1   14   23    3 o   43.082   7.9960 10.07058 15.99192 
1 1 1   14   23    4 o  157.123   2.5908 0.8346558 5.181540 
1 1 1   14   23    5 o   49.944   9.1012 -18.00663 18.20244 
1 1 1   14   23    6 o   69.570   6.7562 -6.738556 13.51235 
1 1 1   14   23    7 f  242.589   2.4924 2.336716 4.984888 
1 1 1   14   23    8 o  227.780   2.5663 2.856812 5.132622 
1 1 1   14   23    9 o  177.353   2.8821 1.252930 5.764187 
1 1 1   14   23   10 o  112.081   5.0232 -2.929779 10.04644 
1 1 1   14   23   11 o   99.032   4.6379 7.663757 9.275743 
1 1 1   14   23   12 o  123.072   3.8681 5.757339 7.736205 
1 1 1   14   23   13 o   77.168   5.8129 -9.993492 11.62572 
1 1 1   14   23   14 o  126.787   3.5999 -5.291374 7.199732 
1 1 1   14   23   15 o   22.823   7.5673 -2.121231 15.13460 
1 1 1   14   23   16 o   29.052   9.2200 -16.00930 18.43997 
1 1 1   14   23   17 o   74.615   5.9342 0.4310455 11.86843 
1 1 1   14   23   18 o   79.887   5.4709 5.301804 10.94175 
1 1 1   14   23   19 o   60.753   7.6307 12.31287 15.26132 
1 1 1   14   23   20 o   35.723   9.3702 6.436165 18.74049 
1 1 1   14   23   21 f   82.294   4.1181 12.59095 8.236289 
1 1 1   14   23   22 o   18.957   6.4413 4.049274 12.88268 
1 1 1   14   23   23 o   30.967   7.8070 -7.655735 15.61394 
1 1 1   14   23   24 o   54.112   7.0888 2.995087 14.17758 
1 1 1   14   23   25 o   64.106   6.6255 -12.75543 13.25095 
1 1 1   14   23   26 o   38.134   8.7431 13.37520 17.48626 
1 1 1   14   23   27 o   85.045   4.6463 0.8505936 9.292545 
1 1 1   14   23   28 o   67.016   6.6528 -5.956528 13.30565 
1 1 1   14   24    0 o   87.240   6.4604 0.000000 0.000000 
1 1 1   14   24    1 o   71.536   5.3208 -9.056786 10.64165 
1 1 1   14   24    2 o  195.443   2.2104 0.9718781 4.420805 
1 1 1   14   24    3 o  113.903   3.2587 -5.350822 6.517344 
1 1 1   14   24    4 o  160.602   2.4303 3.295288 4.860541 
1 1 1   14   24    5 o   97.723   4.7563 -5.801704 9.512560 
1 1 1   14   24    6 o  139.904   3.4262 9.161270 6.852327 
1 1 1   14   24    7 o  148.599   3.3369 1.492645 6.673875 
1 1 1   14   24    8 o  166.980   3.7609 -4.190567 7.521849 
1 1 1   14   24    9 o   66.715   6.7819 -6.168736 13.56387 
1 1 1   14   24   10 o   87.295   5.2646 10.47981 10.52913 
1 1 1   14   24   11 o   33.305   9.0375 6.403400 18.07494 
1 1 1   14   24   12 o  167.237   2.9053 -2.757019 5.810530 
1 1 1   14   24   13 o  152.446   2.9798 -0.8585052 5.959624 
1 1 1   14   24   14 f   60.153   9.0999 1.872318 18.19983 
1 1 1   14   24   15 o  130.413   3.4086 -0.9533539 6.817113 
1 1 1   14   24   16 o  217.950   2.6039 -5.268829 5.207730 
1 1 1   14   24   17 o  119.530   3.8766 -4.368744 7.753260 
1 1 1   14   24   18 o   51.479   9.1297 5.811974 18.25944 
1 1 1   14   24   19 o   45.673   9.1542 -5.309151 18.30844 
1 1 1   14   24   20 o   96.581   4.6556 -2.348190 9.311281 
1 1 1   14   24   21 o   24.330   7.9126 -0.8706074 15.82511 
1 1 1   14   24   22 o   53.827   6.7153 -10.84494 13.43062 
1 1 1   14   24   23 o   58.231   5.8627 6.812672 11.72531 
1 1 1   14   24   24 o   55.005   6.9464 2.280960 13.89287 
1 1 1   14   24   25 o   22.015   7.2912 10.32511 14.58248 
1 1 1   14   24   26 o   62.310   6.5223 -12.63496 13.04456 
1 1 1   14   24   27 o   25.696   7.5369 16.44691 15.07386 
1 1 1   14   25    0 o  165.765   3.5828 0.000000 0.000000 
1 1 1   14   25    1 o  151.905   2.5892 -1.719559 5.178362 
1 1 1   14   25    2 f  123.291   3.0826 0.6779861 6.165144 
1 1 1   14   25    3 o  116.624   3.1670 -0.7598572 6.334059 
1 1 1   14   25    4 o  131.017   2.7759 -18.99000 5.551722 
1 1 1   14   25    5 o  131.719   3.5944 -4.026535 7.188702 
1 1 1   14   25    6 o  211.938   3.0014 0.7581787 6.002824 
1 1 1   14   25    7 o   98.361   4.5714 0.4619598 9.142794 
1 1 1   14   25    8 o  154.592   3.0138 -3.790359 6.027521 
1 1 1   14   25    9 o   45.884   8.3563 20.99320 16.71261 
1 1 1   14   25   10 o   99.553   4.3553 -9.170372 8.710629 
1 1 1   14   25   11 o   26.652   8.0875 -9.866442 16.17490 
1 1 1   14   25   12 o   76.140   6.7777 -13.66165 13.55550 
1 1 1   14   25   13 o   61.274   7.8539 -24.27256 15.70789 
1 1 1   14   25   14 o   82.838   5.0754 -7.810417 10.15089 
1 1 1   14   25   15 o   57.756   7.8160 -3.161327 15.63209 
1 1 1   14   25   16 o  114.305   4.8350 12.99039 9.670049 
1 1 1   14   25   17 o  106.484   4.2680 6.644394 8.535951 
1 1 1   14   25   18 o   26.873   8.3592 -3.309753 16.71837 
1 1 1   14   25   19 o  160.008   3.1310 2.376404 6.262013 
1 1 1   14   25   20 o   26.185   8.3204 -0.8752155 16.64086 
1 1 1   14   25   21 o   58.286   7.7834 13.81487 15.56689 
1 1 1   14   25   22 o   20.965   7.1073 -7.773888 14.21454 
1 1 1   14   25   23 o   51.324   7.3141 1.543827 14.62829 
1 1 1   14   25   24 o   54.954   7.3316 -14.71568 14.66318 
1 1 1   14   25   25 o   66.285   5.5953 4.749958 11.19069 
1 1 1   14   25   26 o  115.727   4.9706 -24.83490 9.941192 
1 1 1   14   26    0 o   23.514   10.481 0.000000 0.000000 
1 1 1   14   26    1 o   67.307   5.2745 -22.18703 10.54909 
1 1 1   14   26    2 o   48.508   7.4189 11.53404 14.83783 
1 1 1   14   26    3 o   77.250   4.6285 -12.86195 9.256980 
1 1 1   14   26    4 o   26.769   7.8365 -5.707579 15.67295 
1 1 1   14   26    5 o  128.834   2.9812 -2.137733 5.962307 
1 1 1   14   26    6 o   26.543   8.2611 2.904379 16.52216 
1 1 1   14   26    7 o  160.451   2.9432 2.000565 5.886302 
1 1 1   14   26    8 o   83.955   4.8747 -1.609238 9.749420 
1 1 1   14   26    9 o   62.448   6.8865 2.699745 13.77302 
1 1 1   14   26   10 o   68.635   7.3811 -14.72971 14.76227 
1 1 1   14   26   11 o  113.651   3.7401 -6.924286 7.480199 
1 1 1   14   26   12 o   97.631   4.4013 1.332863 8.802627 
1 1 1   14   26   13 o   69.958   6.2062 -2.972366 12.41247 
1 1 1   14   26   14 o   56.155   9.1748 -26.66901 18.34963 
1 1 1   14   26   15 o   81.816   5.7470 -7.316772 11.49392 
1 1 1   14   26   16 o   70.917   6.2329 0.9532776 12.46587 
1 1 1   14   26   17 o   25.080   8.0410 4.192596 16.08193 
1 1 1   14   26   18 o   20.143   6.8839 -1.049749 13.76778 
1 1 1   14   26   19 x  ?   ?       ?      ? 
1 1 1   14   26   20 o  132.100   3.4678 1.817093 6.935696 
1 1 1   14   26   21 o   52.800   8.8248 9.169769 17.64965 
1 1 1   14   26   22 o   59.134   8.1640 10.53499 16.32809 
1 1 1   14   26   23 o   89.229   4.6610 -16.54541 9.322053 
1 1 1   14   26   24 o  114.104   3.4288 3.997246 6.857679 
1 1 1   14   26   25 o   40.030   7.2523 -22.00232 14.50460 
1 1 1   14   27    0 o   14.712   7.6375 0.000000 0.000000 
1 1 1   14   27    1 o   84.164   4.0229 10.28477 8.045839 
1 1 1   14   27    2 o  126.595   2.8949 2.982124 5.789874 
1 1 1   14   27    3 o  134.069   2.7508 5.234314 5.501539 
1 1 1   14   27    4 o  102.584   3.6271 13.00567 7.254147 
1 1 1   14   27    5 o  100.511   3.3891 -12.98135 6.778274 
1 1 1   14   27    6 o  113.604   4.0777 -10.03732 8.155455 
1 1 1   14   27    7 o   76.077   5.4405 2.227081 10.88107 
1 1 1   14   27    8 o   36.072   8.7067 -14.44757 17.41348 
1 1 1   14   27    9 o   95.132   4.4673 0.4287720 8.934628 
1 1 1   14   27   10 o   21.151   7.1191 1.646442 14.23821 
1 1 1   14   27   11 o   23.145   7.5459 -7.930265 15.09172 
1 1 1   14   27   12 o   60.184   9.0108 27.12461 18.02156 
1 1 1   14   27   13 f   66.630   6.3420 -0.7522049 12.68395 
1 1 1   14   27   14 o  129.987   3.4731 -1.137726 6.946100 
1 1 1   14   27   15 o   33.523   8.8308 -9.213596 17.66155 
1 1 1   14   27   16 o   71.845   6.0953 -13.32947 12.19068 
1 1 1   14   27   17 o   24.440   7.8149 -6.631290 15.62981 
1 1 1   14   27   18 o   31.404   9.0125 2.918205 18.02506 
1 1 1   14   27   19 o   61.796   7.9101 -15.90170 15.82023 
1 1 1   14   27   20 o   51.637   8.3682 -29.17434 16.73646 
1 1 1   14   27   21 o   57.379   8.3732 28.91152 16.74637 
1 1 1   14   27   22 o   62.490   7.8177 12.46933 15.63548 
1 1 1   14   27   23 o   46.224   8.8228 -26.05540 17.64550 
1 1 1   14   27   24 o   24.930   7.5010 21.57006 15.00193 
1 1 1   14   28    0 o   20.523   9.6343 0.000000 0.000000 
1 1 1   14   28    1 o   67.736   5.1171 9.988155 10.23420 
1 1 1   14   28    2 o   17.066   5.8780 -7.919226 11.75603 
1 1 1   14   28    3 o   42.546   7.3777 1.897755 14.75545 
1 1 1   14   28    4 o   25.781   7.6407 -3.024572 15.28138 
1 1 1   14   28    5 o   89.887   4.8394 -8.000099 9.678883 
1 1 1   14   28    6 o   27.937   8.1152 -14.40372 16.23046 
1 1 1   14   28    7 o  106.595   3.9228 6.802467 7.845634 
1 1 1   14   28    8 o   27.306   7.7289 -19.46136 15.45781 
1 1 1   14   28    9 o   55.610   9.0330 -5.650261 18.06597 
1 1 1   14   28   10 o  143.015   3.2317 7.405457 6.463484 
1 1 1   14   28   11 o   25.197   8.0487 -2.678272 16.09733 
1 1 1   14   28   12 o  108.068   4.0170 -0.4217682 8.034096 
1 1 1   14   28   13 o   84.410   5.0297 -3.134087 10.05950 
1 1 1   14   28   14 f   35.362   9.1881 1.607586 18.37627 
1 1 1   14   28   15 o   24.886   7.7376 12.60941 15.47516 
1 1 1   14   28   16 o   53.560   8.6165 2.384457 17.23304 
1 1 1   14   28   17 o   23.016   7.6080 1.383232 15.21593 
1 1 1   14   28   18 o   97.545   4.5520 9.022339 9.103975 
1 1 1   14   28   19 o   42.904   8.2064 -30.52910 16.41287 
1 1 1   14   28   20 o   53.751   8.5855 -0.5738297 17.17103 
1 1 1   14   28   21 o   30.844   9.0656 -2.358284 18.13116 
1 1 1   14   28   22 o   98.282   4.8158 -2.224899 9.631510 
1 1 1   14   28   23 x  ?   ?       ?      ? 
1 1 1   14   29    0 o   17.877   8.9654 0.000000 0.000000 
1 1 1   14   29    1 o   18.420   6.1956 -10.13369 12.39120 
1 1 1   14   29    2 o  104.586   3.2102 -0.9099884 6.420383 
1 1 1   14   29    3 o   18.672   6.5943 -10.51876 13.18851 
1 1 1   14   29    4 o   44.383   7.0290 14.00825 14.05790 
1 1 1   14   29    5 o  131.729   3.3466 -0.5233154 6.693209 
1 1 1   14   29    6 o   98.477   5.0884 16.12619 10.17686 
1 1 1   14   29    7 o   57.489   8.6366 33.90228 17.27310 
1 1 1   14   29    8 o   53.620   8.3643 7.835911 16.72852 
1 1 1   14   29    9 f  141.643   3.2179 2.288727 6.435769 
1 1 1   14   29   10 o   66.185   6.4260 -10.35957 12.85200 
1 1 1   14   29   11 o  118.026   3.9183 4.513962 7.836639 
1 1 1   14   29   12 o   24.814   7.9013 -5.986423 15.80257 
1 1 1   14   29   13 o   30.272   8.7147 -11.01205 17.42939 
1 1 1   14   29   14 o   49.780   8.3830 -14.83507 16.76605 
1 1 1   14   29   15 o   42.764   9.2613 7.823589 18.52263 
1 1 1   14   29   16 o   52.358   8.4131 10.60590 16.82624 
1 1 1   14   29   17 o   48.682   9.1776 7.088123 18.35519 
1 1 1   14   29   18 o  109.181   4.3558 -14.50713 8.711520 
1 1 1   14   29   19 o   47.560   9.3419 7.984898 18.68382 
1 1 1   14   29   20 o   92.892   4.9976 2.439156 9.995249 
1 1 1   14   29   21 o   80.076   5.5224 -14.68733 11.04486 
1 1 1   14   30    0 o   23.499   10.552 0.000000 0.000000 
1 1 1   14   30    1 o   91.762   3.9035 -4.761688 7.806941 
1 1 1   14   30    2 o   95.656   3.4738 0.6236954 6.947634 
1 1 1   14   30    3 o   52.582   6.2647 -10.15437 12.52933 
1 1 1   14   30    4 o  142.588   2.5160 -4.684448 5.031946 
1 1 1   14   30    5 o   52.980   6.1504 6.617130 12.30089 
1 1 1   14   30    6 o  115.656   3.6480 4.704132 7.296063 
1 1 1   14   30    7 o   57.302   7.7436 28.75699 15.48725 
1 1 1   14   30    8 o   76.503   5.6374 8.243828 11.27479 
1 1 1   14   30    9 o   26.754   8.1645 9.097830 16.32908 
1 1 1   14   30   10 o   29.865   8.5481 -10.49926 17.09614 
1 1 1   14   30   11 o   37.708   9.4329 -0.8049240 18.86571 
1 1 1   14   30   12 o   22.450   7.4211 -4.690748 14.84221 
1 1 1   14   30   13 o   30.347   8.7601 8.173931 17.52027 
1 1 1   14   30   14 o   59.286   7.5494 -8.334217 15.09889 
1 1 1   14   30   15 o   68.077   6.6927 4.533386 13.38537 
1 1 1   14   30   16 o   43.031   9.6242 -1.497078 19.24841 
1 1 1   14   30   17 f  102.912   4.5579 5.777519 9.115765 
1 1 1   14   30   18 o   58.658   8.0575 28.25704 16.11495 
1 1 1   14   30   19 o   50.744   8.6436 -5.272747 17.28716 
1 1 1   14   30   20 o   21.670   7.3100 0.5594711 14.61991 
1 1 1   14   31    0 o   85.413   7.2688 0.000000 0.000000 
1 1 1   14   31    1 o   50.601   6.5971 6.490128 13.19429 
1 1 1   14   31    2 o   31.590   8.2029 -0.8666611 16.40580 
1 1 1   14   31    3 o   28.099   7.1940 14.95367 14.38809 
1 1 1   14   31    4 o   22.067   6.4885 13.20267 12.97692 
1 1 1   14   31    5 o   65.881   4.6383 0.6234741E-01 9.276526 
1 1 1   14   31    6 o   57.792   7.6125 -20.18263 15.22508 
1 1 1   14   31    7 o   65.406   7.7447      ?      ? 
1 1 1   14   31    8 o   44.494   8.4717 28.90198 16.94349 
1 1 1   14   31    9 o   24.964   7.9363 2.966526 15.87256 
1 1 1   14   31   10 o   53.036   7.9898 -32.98155 15.97954 
1 1 1   14   31   11 o   23.682   7.6902 5.133446 15.38044 
1 1 1   14   31   12 o   40.488   8.0689 -29.56968 16.13785 
1 1 1   14   31   13 o   32.935   9.1152 -3.920582 18.23046 
1 1 1   14   31   14 o   27.722   8.6327 -0.7057648 17.26532 
1 1 1   14   31   15 o   85.845   5.1335 -2.198898 10.26709 
1 1 1   14   31   16 o   90.727   5.0740 16.09734 10.14804 
1 1 1   14   31   17 o   55.211   8.1301 1.305454 16.26021 
1 1 1   14   31   18 o   25.329   8.1234 -2.846371 16.24675 
1 1 1   14   32    0 o   44.362   9.1726 0.000000 0.000000 
1 1 1   14   32    1 o   20.664   6.7466 3.142910 13.49310 
1 1 1   14   32    2 o   44.844   8.1132 24.64758 16.22640 
1 1 1   14   32    3 o   78.495   4.2001 -8.089912 8.400124 
1 1 1   14   32    4 o   24.697   7.1853 -14.06320 14.37067 
1 1 1   14   32    5 o   21.265   6.6332 -17.04150 13.26634 
1 1 1   14   32    6 f   21.835   6.9102 -8.040283 13.82039 
1 1 1   14   32    7 o   68.596   6.1646 -10.71543 12.32919 
1 1 1   14   32    8 o   26.706   8.3098 11.71664 16.61961 
1 1 1   14   32    9 o   37.043   8.4774 -15.03373 16.95478 
1 1 1   14   32   10 o   24.776   8.1205 -3.381880 16.24096 
1 1 1   14   32   11 o   27.105   8.3551 -8.182522 16.71015 
1 1 1   14   32   12 o   54.862   8.7609 -3.376759 17.52185 
1 1 1   14   32   13 o   26.908   8.3584 -1.326761 16.71686 
1 1 1   14   32   14 o   45.893   8.9639 12.51110 17.92787 
1 1 1   14   32   15 o   53.660   8.1817 -5.570763 16.36334 
1 1 1   14   32   16 o   32.629   9.0975 7.901733 18.19500 
1 1 1   14   33    0 o   31.841   11.410 0.000000 0.000000 
1 1 1   14   33    1 o   73.622   4.6867 -1.661964 9.373307 
1 1 1   14   33    2 o   54.916   6.6483 -28.52989 13.29652 
1 1 1   14   33    3 o   20.563   6.7333 -2.651203 13.46651 
1 1 1   14   33    4 o   25.330   7.5352 2.090841 15.07040 
1 1 1   14   33    5 o   40.373   7.7602 5.709789 15.52037 
1 1 1   14   33    6 o   23.106   7.0559 4.834995 14.11177 
1 1 1   14   33    7 o   43.413   8.9942 18.44107 17.98833 
1 1 1   14   33    8 o   23.198   7.6899 11.35023 15.37990 
1 1 1   14   33    9 o   27.485   8.3390 15.07941 16.67810 
1 1 1   14   33   10 o   36.509   9.3264 8.811096 18.65280 
1 1 1   14   33   11 o   39.182   9.0992 8.752644 18.19848 
1 1 1   14   33   12 o   26.554   8.1633 7.246992 16.32652 
1 1 1   14   33   13 o   31.631   9.3531 -20.61289 18.70613 
1 1 1   14   33   14 o   41.400   9.4239 -4.648479 18.84771 
1 1 1   14   34    0 o   23.194   10.656 0.000000 0.000000 
1 1 1   14   34    1 o   24.369   7.4931 8.877924 14.98625 
1 1 1   14   34    2 o   36.515   7.6350 21.78756 15.27007 
1 1 1   14   34    3 o   78.710   4.4381 -10.44342 8.876278 
1 1 1   14   34    4 o   61.691   6.0114 14.62809 12.02273 
1 1 1   14   34    5 o   37.593   7.4200 19.76909 14.84002 
1 1 1   14   34    6 o   52.922   6.1917 -21.83587 12.38347 
1 1 1   14   34    7 o   41.915   8.1968 -21.93897 16.39358 
1 1 1   14   34    8 o   56.811   7.7041 1.282021 15.40825 
1 1 1   14   34    9 o   55.710   8.8964 -6.376335 17.79289 
1 1 1   14   34   10 o   37.847   9.0824 0.3698120 18.16488 
1 1 1   14   34   11 o   19.877   6.8419 5.911011 13.68389 
1 1 1   14   35    0 f   15.164   7.8938 0.000000 0.000000 
1 1 1   14   35    1 o   25.679   7.7118 -7.622894 15.42367 
1 1 1   14   35    2 o   26.808   7.5920 10.29683 15.18391 
1 1 1   14   35    3 o   22.218   7.0566 -7.431616 14.11328 
1 1 1   14   35    4 o   24.454   7.4370 -1.066414 14.87402 
1 1 1   14   35    5 o   24.154   7.3268 -12.58154 14.65360 
1 1 1   14   35    6 o   28.187   8.0649 0.1701965 16.12972 
1 1 1   14   35    7 o   39.733   8.4770 -16.60757 16.95403 
1 1 1   14   35    8 x  ?   ?       ?      ? 
1 1 1   15    0    1 o  352.146   2.6974 0.000000 0.000000 
1 1 1   15    0    2 o   89.016   2.9103 0.000000 0.000000 
1 1 1   15    0    3 o  134.176   1.8738 0.000000 0.000000 
1 1 1   15    0    4 o   39.234   6.0638 0.000000 0.000000 
1 1 1   15    0    5 o  402.974   3.0632 0.000000 0.000000 
1 1 1   15    0    6 o  701.920   6.4076 0.000000 0.000000 
1 1 1   15    0    7 o   9.3818   4.8627 0.000000 0.000000 
1 1 1   15    0    8 o  715.652   5.3210 0.000000 0.000000 
1 1 1   15    0    9 o  287.431   2.9620 0.000000 0.000000 
1 1 1   15    0   10 o  530.313   3.9938 0.000000 0.000000 
1 1 1   15    0   11 o  258.517   2.3485 0.000000 0.000000 
1 1 1   15    0   12 o   96.019   3.7518 0.000000 0.000000 
1 1 1   15    0   13 o  561.715   6.0067 0.000000 0.000000 
1 1 1   15    0   14 o  606.244   4.5641 0.000000 0.000000 
1 1 1   15    0   15 o  373.503   3.0574 0.000000 0.000000 
1 1 1   15    0   16 o  615.600   4.6690 0.000000 0.000000 
1 1 1   15    0   17 o  267.491   2.8215 0.000000 0.000000 
1 1 1   15    0   18 o  215.689   3.1247 0.000000 0.000000 
1 1 1   15    0   19 o  507.748   3.9859 0.000000 0.000000 
1 1 1   15    0   20 o   15.732   8.1021 0.000000 0.000000 
1 1 1   15    0   21 o  118.573   6.6695 0.000000 0.000000 
1 1 1   15    0   22 o   38.010   14.003 0.000000 0.000000 
1 1 1   15    0   23 o   29.652   12.910 0.000000 0.000000 
1 1 1   15    0   24 o  236.318   4.1021 0.000000 0.000000 
1 1 1   15    0   25 o  173.638   4.5820 0.000000 0.000000 
1 1 1   15    0   26 o   60.704   14.233 0.000000 0.000000 
1 1 1   15    0   27 o   28.936   12.332 0.000000 0.000000 
1 1 1   15    0   28 o   36.950   14.301 0.000000 0.000000 
1 1 1   15    0   29 o   45.632   12.794 0.000000 0.000000 
1 1 1   15    0   30 o   20.078   9.9927 0.000000 0.000000 
1 1 1   15    0   31 o   97.205   8.5817 0.000000 0.000000 
1 1 1   15    0   32 o   21.987   10.710 0.000000 0.000000 
1 1 1   15    0   33 o   56.796   13.482 0.000000 0.000000 
1 1 1   15    0   34 o  153.815   5.5042 0.000000 0.000000 
1 1 1   15    0   35 o   23.811   11.050 0.000000 0.000000 
1 1 1   15    0   36 o   29.045   13.213 0.000000 0.000000 
1 1 1   15    1    0 o   15.889   7.1012 0.000000 0.000000 
1 1 1   15    1    1 o   75.474   1.9629 -3.954910 3.925873 
1 1 1   15    1    2 o   72.194   2.0499 -11.63658 4.099795 
1 1 1   15    1    3 o  115.772   1.5310 4.746880 3.062081 
1 1 1   15    1    4 o  285.838   1.6143 3.468719 3.228683 
1 1 1   15    1    5 o  297.448   1.8075 5.948334 3.615101 
1 1 1   15    1    6 o  434.704   2.5126 0.6088257E-01 5.025210 
1 1 1   15    1    7 o  437.447   2.5323 -0.1571045 5.064514 
1 1 1   15    1    8 o  135.790   1.5698 -2.895615 3.139508 
1 1 1   15    1    9 o  530.486   2.8162 -1.454834 5.632461 
1 1 1   15    1   10 o  345.041   1.9451 -2.486389 3.890225 
1 1 1   15    1   11 o  511.669   2.9545 2.604218 5.908929 
1 1 1   15    1   12 o  472.036   2.7474 6.933014 5.494733 
1 1 1   15    1   13 o  256.177   1.8640 -4.420746 3.727949 
1 1 1   15    1   14 o  130.872   2.2887 -3.059647 4.577426 
1 1 1   15    1   15 o  342.301   2.0519 3.696655 4.103700 
1 1 1   15    1   16 o  170.899   4.1909      ?      ? 
1 1 1   15    1   17 o  199.212   2.0584 -1.950485 4.116803 
1 1 1   15    1   18 o  279.977   2.9479 -2.983490 5.895775 
1 1 1   15    1   19 o   72.412   5.5204 16.38898 11.04080 
1 1 1   15    1   20 o  282.530   2.3407 -1.989410 4.681316 
1 1 1   15    1   21 o  285.828   2.5023 1.354858 5.004601 
1 1 1   15    1   22 o  240.132   2.5432 -6.914032 5.086489 
1 1 1   15    1   23 o  200.018   2.8075 4.809647 5.614924 
1 1 1   15    1   24 f  136.444   3.7939 -0.9207001 7.587807 
1 1 1   15    1   25 o   83.570   6.1380 14.20274 12.27604 
1 1 1   15    1   26 o   39.791   9.7831 8.854530 19.56618 
1 1 1   15    1   27 o   44.449   9.5403 2.144615 19.08053 
1 1 1   15    1   28 o  131.296   3.6776 2.716858 7.355199 
1 1 1   15    1   29 o   46.277   9.2171 -3.529949 18.43413 
1 1 1   15    1   30 o   50.411   9.1552 -21.32116 18.31031 
1 1 1   15    1   31 o   39.867   9.9430 1.959949 19.88594 
1 1 1   15    1   32 o   21.118   7.2154 0.9652576 14.43072 
1 1 1   15    1   33 o   33.871   9.4212 -7.180443 18.84234 
1 1 1   15    1   34 f   46.821   9.6635 0.4107857 19.32693 
1 1 1   15    1   35 o  115.040   4.2016 0.9728394 8.403195 
1 1 1   15    1   36 o  133.457   8.5780 148.7022 17.15607 
1 1 1   15    2    0 o  398.849   3.0176 0.000000 0.000000 
1 1 1   15    2    1 o  630.159   3.3109 -8.679626 6.621819 
1 1 1   15    2    2 o  136.476   1.3113 5.533417 2.622533 
1 1 1   15    2    3 o  435.932   2.3207 2.779297 4.641481 
1 1 1   15    2    4 o  131.001   1.3859 0.2406464 2.771805 
1 1 1   15    2    5 o  643.002   3.3806 -1.731323 6.761225 
1 1 1   15    2    6 o  348.611   1.9098 2.249359 3.819646 
1 1 1   15    2    7 o  549.959   3.1383 3.463379 6.276552 
1 1 1   15    2    8 o  331.134   2.0061 3.179230 4.012271 
1 1 1   15    2    9 o  150.345   1.5667 -0.1408386 3.133379 
1 1 1   15    2   10 o  241.914   1.5926 -2.180771 3.185275 
1 1 1   15    2   11 o  104.450   2.3304 -0.2047729 4.660872 
1 1 1   15    2   12 o  665.281   3.5187 -1.119019 7.037485 
1 1 1   15    2   13 o  516.278   2.7737 2.689514 5.547349 
1 1 1   15    2   14 o  188.749   1.8072 5.497665 3.614487 
1 1 1   15    2   15 f  101.957   3.0157 3.398521 6.031355 
1 1 1   15    2   16 o  533.403   2.9009 5.779480 5.801855 
1 1 1   15    2   17 o  354.992   2.1962 -0.1247864 4.392356 
1 1 1   15    2   18 o  254.420   4.1849      ?      ? 
1 1 1   15    2   19 o  194.455   2.4294 0.6887207 4.858826 
1 1 1   15    2   20 o  212.480   3.0703 -0.1049500 6.140500 
1 1 1   15    2   21 o  287.043   2.3620 2.814941 4.723925 
1 1 1   15    2   22 o  269.490   2.4252 6.500580 4.850332 
1 1 1   15    2   23 o  126.537   4.1443 -8.459496 8.288539 
1 1 1   15    2   24 o  315.092   2.3949 3.677277 4.789811 
1 1 1   15    2   25 o  148.995   3.5485 3.422318 7.097036 
1 1 1   15    2   26 o  135.327   3.6320 11.34985 7.264069 
1 1 1   15    2   27 o   22.735   7.6425 -0.7337189 15.28495 
1 1 1   15    2   28 f   77.705   5.9456 3.681854 11.89126 
1 1 1   15    2   29 o   50.843   9.1640 6.396648 18.32799 
1 1 1   15    2   30 o   28.765   8.7791 6.310465 17.55825 
1 1 1   15    2   31 o  141.506   3.4832 -6.348633 6.966307 
1 1 1   15    2   32 o  126.692   4.1481 6.084358 8.296270 
1 1 1   15    2   33 o   43.039   8.3865 30.66613 16.77297 
1 1 1   15    2   34 o  101.232   5.0334 -7.200912 10.06672 
1 1 1   15    2   35 o   61.336   7.9443 -1.580975 15.88870 
1 1 1   15    2   36 o   50.284   8.3117 6.122993 16.62345 
1 1 1   15    3    0 o   26.711   7.7800 0.000000 0.000000 
1 1 1   15    3    1 o  323.970   1.7723 0.5518188 3.544672 
1 1 1   15    3    2 o  167.366   1.2690 -2.558167 2.538067 
1 1 1   15    3    3 o  352.403   2.0695 3.109436 4.138953 
1 1 1   15    3    4 o  339.398   2.0069 0.2817688 4.013888 
1 1 1   15    3    5 o  627.657   3.3017 1.360535 6.603342 
1 1 1   15    3    6 o  103.829   1.7121 -1.199646 3.424258 
1 1 1   15    3    7 o  252.738   1.5369 -4.085571 3.073743 
1 1 1   15    3    8 o  630.985   3.3276 -6.955688 6.655283 
1 1 1   15    3    9 o  497.087   2.6530 -6.775665 5.306084 
1 1 1   15    3   10 o   34.285   6.6587 -11.15803 13.31746 
1 1 1   15    3   11 o  500.806   2.6853 2.283417 5.370543 
1 1 1   15    3   12 o  621.836   3.2944 6.225769 6.588881 
1 1 1   15    3   13 o  279.375   1.7949 0.5340576E-01 3.589869 
1 1 1   15    3   14 o  336.238   2.1637 0.3725586 4.327449 
1 1 1   15    3   15 o  385.991   2.2269 1.506134 4.453776 
1 1 1   15    3   16 o  483.681   3.0771 -4.687714 6.154214 
1 1 1   15    3   17 o  141.020   2.6888 0.7958221 5.377657 
1 1 1   15    3   18 f  496.855   2.7745 0.8689880 5.549053 
1 1 1   15    3   19 o   49.582   8.1240 11.34933 16.24793 
1 1 1   15    3   20 o  250.714   2.7455 -14.26105 5.490968 
1 1 1   15    3   21 o  306.354   2.3723 1.272278 4.744654 
1 1 1   15    3   22 o  130.052   3.9917 -2.306732 7.983404 
1 1 1   15    3   23 o  377.092   2.5325 3.308655 5.064944 
1 1 1   15    3   24 o  255.009   2.5070 -1.704742 5.014037 
1 1 1   15    3   25 o  235.626   2.5995 0.5052643 5.198908 
1 1 1   15    3   26 o  136.326   3.6033 -10.87677 7.206698 
1 1 1   15    3   27 o   84.906   5.7482 -1.233955 11.49647 
1 1 1   15    3   28 o  229.667   2.4343 -1.720230 4.868644 
1 1 1   15    3   29 o  122.519   3.9677 10.58940 7.935477 
1 1 1   15    3   30 o   74.092   6.4647 11.71323 12.92948 
1 1 1   15    3   31 o  103.449   4.6309 -3.181076 9.261829 
1 1 1   15    3   32 o   62.701   7.9090 22.75277 15.81802 
1 1 1   15    3   33 o   58.060   8.2948 -24.89711 16.58963 
1 1 1   15    3   34 o   30.632   9.0860 -8.189009 18.17207 
1 1 1   15    3   35 o   82.942   5.7359 -2.457962 11.47173 
1 1 1   15    3   36 o   52.699   7.8549 24.26641 15.70975 
1 1 1   15    4    0 o  251.856   2.0694 0.000000 0.000000 
1 1 1   15    4    1 o  467.161   2.6755 0.7767944 5.350971 
1 1 1   15    4    2 o  327.509   1.9344 2.510956 3.868762 
1 1 1   15    4    3 o  174.322   1.2937 0.3805542 2.587327 
1 1 1   15    4    4 o  190.317   1.3352 1.568649 2.670325 
1 1 1   15    4    5 o  111.013   1.6480 -5.142410 3.296065 
1 1 1   15    4    6 o  219.667   1.5142 2.718796 3.028373 
1 1 1   15    4    7 o  278.785   1.6323 -8.729675 3.264617 
1 1 1   15    4    8 o  428.780   2.3126 -3.835480 4.625189 
1 1 1   15    4    9 o  397.948   2.1755 6.608917 4.350921 
1 1 1   15    4   10 o  316.578   1.8387 2.136902 3.677378 
1 1 1   15    4   11 o  468.697   2.5309 -4.707611 5.061789 
1 1 1   15    4   12 o   53.567   4.6742 2.993267 9.348322 
1 1 1   15    4   13 o  309.005   1.8740 4.145569 3.748087 
1 1 1   15    4   14 f  156.192   2.2402 -2.512512 4.480384 
1 1 1   15    4   15 f  220.674   2.4960 12.08894 4.991970 
1 1 1   15    4   16 x  ?   ?       ?      ? 
1 1 1   15    4   17 o  375.494   2.2673 -1.464539 4.534503 
1 1 1   15    4   18 o  401.495   2.3888 5.830322 4.777500 
1 1 1   15    4   19 o  166.943   2.8952 1.561050 5.790491 
1 1 1   15    4   20 o  184.185   4.5890      ?      ? 
1 1 1   15    4   21 o  199.689   2.7412 -3.894592 5.482367 
1 1 1   15    4   22 o  146.352   4.0288 -9.387741 8.057686 
1 1 1   15    4   23 o  368.893   2.6188 -2.336395 5.237613 
1 1 1   15    4   24 f   45.870   9.4350 -22.82338 18.87009 
1 1 1   15    4   25 o  237.833   2.4904 0.1723785 4.980791 
1 1 1   15    4   26 o   44.594   8.5325 35.26318 17.06501 
1 1 1   15    4   27 o  259.249   2.4453 -3.650055 4.890632 
1 1 1   15    4   28 o  142.967   3.3469 4.296326 6.693833 
1 1 1   15    4   29 o   32.620   9.2604 2.759193 18.52082 
1 1 1   15    4   30 f   24.557   8.0540 -0.7705040 16.10790 
1 1 1   15    4   31 o   58.946   7.9304 -11.26692 15.86076 
1 1 1   15    4   32 f  110.468   4.3646 5.558647 8.729167 
1 1 1   15    4   33 o   95.352   5.0297 7.244278 10.05942 
1 1 1   15    4   34 o   51.347   8.7025 -22.54246 17.40499 
1 1 1   15    4   35 o   27.011   8.4572 3.428392 16.91433 
1 1 1   15    4   36 o   17.453   6.1225 -3.021266 12.24507 
1 1 1   15    5    0 f  555.813   4.1464 0.000000 0.000000 
1 1 1   15    5    1 o  249.571   1.4725 -0.7719574 2.944926 
1 1 1   15    5    2 o  574.200   3.0240 -2.667297 6.048098 
1 1 1   15    5    3 o  148.215   1.3377 1.120117 2.675324 
1 1 1   15    5    4 f  413.262   2.2145 2.398651 4.429068 
1 1 1   15    5    5 o  154.217   1.5020 0.9083557 3.003916 
1 1 1   15    5    6 o  396.553   2.1417 -8.431915 4.283332 
1 1 1   15    5    7 f   30.033   5.7572 1.708286 11.51436 
1 1 1   15    5    8 o  563.608   2.9849 -8.526978 5.969738 
1 1 1   15    5    9 o  702.542   3.6986 2.687988 7.397223 
1 1 1   15    5   10 o  148.702   1.7314 8.471008 3.462787 
1 1 1   15    5   11 o  181.949   1.8078 -9.411118 3.615593 
1 1 1   15    5   12 o  331.805   2.1092 -1.928162 4.218462 
1 1 1   15    5   13 o  485.282   2.6292 4.069855 5.258329 
1 1 1   15    5   14 o  389.705   2.2200 -2.417694 4.440042 
1 1 1   15    5   15 o   89.912   3.9430 23.31259 7.885956 
1 1 1   15    5   16 o   91.069   4.2717 -10.58621 8.543411 
1 1 1   15    5   17 o  188.082   2.7745 2.366196 5.548921 
1 1 1   15    5   18 o  314.498   2.1563 4.515869 4.312608 
1 1 1   15    5   19 o  149.001   3.2454 11.44402 6.490726 
1 1 1   15    5   20 o  115.374   4.5899 24.02505 9.179790 
1 1 1   15    5   21 o  242.533   2.4542 3.889725 4.908374 
1 1 1   15    5   22 o  410.704   2.5984 -0.1401367 5.196699 
1 1 1   15    5   23 o  175.564   3.0076 -2.083389 6.015200 
1 1 1   15    5   24 o  212.036   2.6060 -8.509171 5.212085 
1 1 1   15    5   25 o  153.255   3.3451 -5.302139 6.690262 
1 1 1   15    5   26 o   97.197   4.9682 16.22656 9.936387 
1 1 1   15    5   27 o   31.686   9.0604 -3.860819 18.12086 
1 1 1   15    5   28 o   72.380   6.4694 -10.87592 12.93884 
1 1 1   15    5   29 o   25.535   8.1329 -8.517023 16.26579 
1 1 1   15    5   30 o  189.237   2.7914 -2.788467 5.582797 
1 1 1   15    5   31 o  117.399   3.9171 1.111359 7.834274 
1 1 1   15    5   32 o   76.252   6.3944 -15.21210 12.78885 
1 1 1   15    5   33 o   30.807   8.3132 21.63087 16.62640 
1 1 1   15    5   34 o   43.596   8.9450 27.25093 17.89002 
1 1 1   15    5   35 o   27.590   8.4884 0.5895195 16.97681 
1 1 1   15    5   36 x  ?   ?       ?      ? 
1 1 1   15    6    0 o  250.162   2.0858 0.000000 0.000000 
1 1 1   15    6    1 o  362.945   1.9676 0.8923340 3.935237 
1 1 1   15    6    2 o  202.813   1.3452 3.376984 2.690307 
1 1 1   15    6    3 o  353.668   1.9300 -2.532959 3.860089 
1 1 1   15    6    4 o  492.445   2.6119 -0.6503296E-01 5.223747 
1 1 1   15    6    5 o   79.868   2.1433 -0.3169708 4.286690 
1 1 1   15    6    6 o  193.564   1.6166 -0.9422302 3.233272 
1 1 1   15    6    7 o   58.662   3.1748 -8.686497 6.349594 
1 1 1   15    6    8 o  253.945   1.7189 -4.888031 3.437756 
1 1 1   15    6    9 o  277.500   1.6981 -3.445007 3.396138 
1 1 1   15    6   10 o  729.093   4.1450 -7.363953 8.289914 
1 1 1   15    6   11 o  502.601   2.7017 1.095734 5.403448 
1 1 1   15    6   12 o  274.535   1.7694 -0.4588623 3.538835 
1 1 1   15    6   13 o  275.554   1.8051 6.460205 3.610115 
1 1 1   15    6   14 o  132.614   2.3851 -1.544952 4.770185 
1 1 1   15    6   15 o  217.055   2.7589 -26.09671 5.517743 
1 1 1   15    6   16 o  439.572   2.4834 0.7282410 4.966806 
1 1 1   15    6   17 o  155.340   4.2094 77.53273 8.418728 
1 1 1   15    6   18 o  633.911   3.5326 -0.9783936 7.065180 
1 1 1   15    6   19 o  270.435   2.3364 3.648468 4.672825 
1 1 1   15    6   20 o   76.109   6.8549 9.527702 13.70977 
1 1 1   15    6   21 o   95.453   5.3221 19.66909 10.64428 
1 1 1   15    6   22 f   77.350   6.6189 -12.61670 13.23776 
1 1 1   15    6   23 f   75.946   6.8260 -8.062523 13.65195 
1 1 1   15    6   24 o  166.308   3.2284 0.7736816 6.456849 
1 1 1   15    6   25 o  140.317   3.5048 -9.014954 7.009593 
1 1 1   15    6   26 f  122.354   3.7698 -6.327934 7.539561 
1 1 1   15    6   27 o  110.122   4.3900 -13.61611 8.780079 
1 1 1   15    6   28 o  106.919   4.4550 -6.953934 8.909980 
1 1 1   15    6   29 o  148.264   3.6474 5.816467 7.294774 
1 1 1   15    6   30 o   64.941   7.4967 -11.84269 14.99333 
1 1 1   15    6   31 o   96.423   4.7451 7.650581 9.490129 
1 1 1   15    6   32 o   91.068   5.2117 5.573708 10.42344 
1 1 1   15    6   33 o   42.011   9.8084 -7.106487 19.61676 
1 1 1   15    6   34 o   40.873   8.7543 27.52420 17.50854 
1 1 1   15    6   35 o  120.718   3.8131 -3.815453 7.626297 
1 1 1   15    7    0 o  204.182   1.9287 0.000000 0.000000 
1 1 1   15    7    1 o   98.665   1.8807 4.882233 3.761481 
1 1 1   15    7    2 o  492.547   2.6113 -4.623810 5.222596 
1 1 1   15    7    3 o  277.341   1.5979 -2.781891 3.195876 
1 1 1   15    7    4 o  224.198   1.4338 3.144958 2.867687 
1 1 1   15    7    5 f  346.475   1.9097 0.3688660 3.819389 
1 1 1   15    7    6 o  133.770   1.5218 -3.488220 3.043547 
1 1 1   15    7    7 o  261.226   1.5986 -6.809601 3.197144 
1 1 1   15    7    8 o  529.952   3.2562 -2.305847 6.512355 
1 1 1   15    7    9 f  151.937   1.7747 -8.752808 3.549380 
1 1 1   15    7   10 o  236.460   1.8061 -1.841125 3.612225 
1 1 1   15    7   11 o  135.471   2.0073 3.457108 4.014585 
1 1 1   15    7   12 o  344.429   2.0068 1.932678 4.013590 
1 1 1   15    7   13 o  443.608   2.4472 -1.513031 4.894380 
1 1 1   15    7   14 o  178.231   2.9512 2.518234 5.902454 
1 1 1   15    7   15 o  322.077   2.6719 17.00763 5.343778 
1 1 1   15    7   16 o  227.674   2.9251 -16.58911 5.850241 
1 1 1   15    7   17 o  442.454   2.7535 2.215607 5.507054 
1 1 1   15    7   18 o  206.418   2.6168 -1.486755 5.233613 
1 1 1   15    7   19 f  256.773   5.2727      ?      ? 
1 1 1   15    7   20 o  110.620   4.3827 -1.173111 8.765399 
1 1 1   15    7   21 o   41.779   9.5064 -7.841278 19.01283 
1 1 1   15    7   22 o  169.229   3.0501 -3.858780 6.100233 
1 1 1   15    7   23 o   95.923   4.9964 13.29658 9.992857 
1 1 1   15    7   24 o  266.620   2.4646 0.7120056 4.929145 
1 1 1   15    7   25 o   39.451   9.6494 1.532982 19.29874 
1 1 1   15    7   26 o  143.880   3.3662 -5.254059 6.732492 
1 1 1   15    7   27 o  178.086   2.8945 -11.48863 5.789006 
1 1 1   15    7   28 o   30.805   8.7670 6.052652 17.53393 
1 1 1   15    7   29 o   25.113   8.0930 -6.869812 16.18594 
1 1 1   15    7   30 o  141.695   3.4141 -11.49803 6.828178 
1 1 1   15    7   31 o  116.356   4.0162 0.2152634 8.032467 
1 1 1   15    7   32 o   58.661   8.2379 18.96618 16.47575 
1 1 1   15    7   33 o   32.374   9.2993 -2.102068 18.59860 
1 1 1   15    7   34 o  140.960   3.5552 0.6902008 7.110431 
1 1 1   15    7   35 o   30.127   8.7475 -4.461739 17.49506 
1 1 1   15    8    0 o  360.550   2.7926 0.000000 0.000000 
1 1 1   15    8    1 o  468.079   2.6937 -1.361725 5.387455 
1 1 1   15    8    2 o  422.952   2.2691 -3.779785 4.538158 
1 1 1   15    8    3 o  343.162   1.8908 -0.6002197 3.781535 
1 1 1   15    8    4 o  238.841   1.6201 -8.760315 3.240267 
1 1 1   15    8    5 o  307.014   1.7477 -4.421021 3.495495 
1 1 1   15    8    6 o  571.263   3.6957 -6.652832 7.391397 
1 1 1   15    8    7 o  711.196   3.7438 7.582153 7.487625 
1 1 1   15    8    8 o   42.461   5.3530 17.42608 10.70591 
1 1 1   15    8    9 f  398.142   2.1964 1.050293 4.392812 
1 1 1   15    8   10 o  560.208   2.9847 -0.1352539 5.969391 
1 1 1   15    8   11 o   90.548   3.2157 -12.49013 6.431331 
1 1 1   15    8   12 o  387.873   2.1954 -0.5084839 4.390885 
1 1 1   15    8   13 o  218.039   2.0243 9.887619 4.048622 
1 1 1   15    8   14 o  368.583   2.8143 13.53467 5.628628 
1 1 1   15    8   15 o  294.965   2.0342 2.827789 4.068463 
1 1 1   15    8   16 o  282.922   2.2734 -5.232239 4.546766 
1 1 1   15    8   17 o  434.204   2.6098 2.978058 5.219602 
1 1 1   15    8   18 o  518.393   2.9905 -2.557617 5.981009 
1 1 1   15    8   19 o  476.398   2.9834 -0.3580627 5.966777 
1 1 1   15    8   20 o  226.612   2.4738 0.9445190 4.947629 
1 1 1   15    8   21 o   64.988   8.3228 -0.7820282 16.64550 
1 1 1   15    8   22 o  140.597   3.3899 -6.283966 6.779893 
1 1 1   15    8   23 o  170.721   2.8911 -4.425522 5.782129 
1 1 1   15    8   24 o   44.679   8.6639 -27.76609 17.32787 
1 1 1   15    8   25 o   78.233   6.2026 26.50641 12.40525 
1 1 1   15    8   26 o  133.425   3.6240 11.52718 7.248092 
1 1 1   15    8   27 o   28.635   8.6887 3.479654 17.37738 
1 1 1   15    8   28 o   68.087   6.9813 27.01443 13.96252 
1 1 1   15    8   29 o   54.036   8.6085 5.865223 17.21693 
1 1 1   15    8   30 o   50.544   8.7701 -14.48399 17.54016 
1 1 1   15    8   31 o   82.952   5.8695 4.947578 11.73890 
1 1 1   15    8   32 f   26.226   8.2986 -0.8847523 16.59711 
1 1 1   15    8   33 o   43.283   9.4934 18.51200 18.98686 
1 1 1   15    8   34 o   67.135   6.8412 -5.131569 13.68246 
1 1 1   15    8   35 o   25.451   7.9837 -0.2274189 15.96740 
1 1 1   15    9    0 o  746.668   5.5474 0.000000 0.000000 
1 1 1   15    9    1 o  1134.43   5.9450 4.092163 11.89008 
1 1 1   15    9    2 o  497.192   2.6430 0.7654419 5.285983 
1 1 1   15    9    3 o  420.192   2.4429 -0.8251038 4.885787 
1 1 1   15    9    4 o  339.256   1.8872 -4.106293 3.774454 
1 1 1   15    9    5 o  229.183   1.5037 -3.055420 3.007424 
1 1 1   15    9    6 o  439.994   2.5555 -3.318176 5.110999 
1 1 1   15    9    7 o  130.652   2.3669 -18.83696 4.733802 
1 1 1   15    9    8 o   81.172   3.3927 10.35896 6.785461 
1 1 1   15    9    9 o  140.009   1.8369 0.6935730 3.673767 
1 1 1   15    9   10 o  119.312   2.1920 -4.122208 4.384002 
1 1 1   15    9   11 o  569.386   3.0412 0.4854126 6.082337 
1 1 1   15    9   12 o  188.399   1.8635 -0.1938019 3.727055 
1 1 1   15    9   13 o  508.018   2.7676 3.265228 5.535174 
1 1 1   15    9   14 o  135.195   2.8002 1.911438 5.600492 
1 1 1   15    9   15 o  299.206   2.0465 -3.793915 4.093000 
1 1 1   15    9   16 o  392.864   2.5463 -0.1376343 5.092546 
1 1 1   15    9   17 o  577.374   3.2536 -5.302795 6.507265 
1 1 1   15    9   18 o  100.276   8.5550      ?      ? 
1 1 1   15    9   19 o  166.026   3.0313 -3.550812 6.062623 
1 1 1   15    9   20 o   68.291   7.3431 -0.4649353E-01 14.68613 
1 1 1   15    9   21 o   54.476   9.0193 -2.009991 18.03865 
1 1 1   15    9   22 o  136.890   3.5997 -2.420670 7.199447 
1 1 1   15    9   23 o  198.460   2.7760 -0.2905426 5.551919 
1 1 1   15    9   24 o   41.530   9.7173 13.41158 19.43457 
1 1 1   15    9   25 o  124.377   3.8568 3.133598 7.713614 
1 1 1   15    9   26 o  160.166   3.0340 -0.8800201 6.068023 
1 1 1   15    9   27 o   92.479   4.8458 -5.589737 9.691505 
1 1 1   15    9   28 o   96.488   5.6931 35.52492 11.38624 
1 1 1   15    9   29 o   70.474   6.3906 0.7698746 12.78123 
1 1 1   15    9   30 o   33.315   9.2376 -3.108725 18.47516 
1 1 1   15    9   31 o   33.874   9.3156 -2.117496 18.63119 
1 1 1   15    9   32 o   25.344   8.2348 4.550871 16.46963 
1 1 1   15    9   33 f  130.445   4.4750 -11.64342 8.949937 
1 1 1   15    9   34 o   48.967   9.1208 0.4711304 18.24155 
1 1 1   15    9   35 o   29.442   8.7460 7.286358 17.49198 
1 1 1   15   10    0 o  421.338   3.2228 0.000000 0.000000 
1 1 1   15   10    1 o  512.205   2.7252 4.676544 5.450427 
1 1 1   15   10    2 o  665.496   3.5041 1.646973 7.008228 
1 1 1   15   10    3 o  149.491   1.5355 -1.438782 3.070901 
1 1 1   15   10    4 o  663.196   3.4941 -3.093140 6.988125 
1 1 1   15   10    5 o  560.278   3.2053 -6.108032 6.410516 
1 1 1   15   10    6 f  293.042   2.1258 23.73062 4.251634 
1 1 1   15   10    7 o  373.955   2.2465 10.78214 4.493001 
1 1 1   15   10    8 o  330.472   1.9037 -2.219574 3.807355 
1 1 1   15   10    9 o  467.631   2.5332 -0.7666321 5.066472 
1 1 1   15   10   10 o   29.457   6.8026 -8.297871 13.60516 
1 1 1   15   10   11 o  519.282   2.8005 0.7761230 5.601031 
1 1 1   15   10   12 f  164.303   2.3938 18.57762 4.787699 
1 1 1   15   10   13 o  484.068   2.6644 -0.9870605 5.328752 
1 1 1   15   10   14 f  267.388   1.9788 -1.555664 3.957698 
1 1 1   15   10   15 o  432.985   2.8585 -10.87854 5.717000 
1 1 1   15   10   16 o  318.765   2.2402 4.119476 4.480463 
1 1 1   15   10   17 o  149.350   3.0543 11.10220 6.108673 
1 1 1   15   10   18 o   31.726   8.4551 28.68409 16.91014 
1 1 1   15   10   19 o  132.842   3.4883 7.851379 6.976690 
1 1 1   15   10   20 o  162.092   3.3574 -4.419678 6.714887 
1 1 1   15   10   21 o  133.705   3.6335 -7.168884 7.267089 
1 1 1   15   10   22 o  263.071   2.3826 1.355377 4.765211 
1 1 1   15   10   23 o  173.289   2.9358 6.060242 5.871623 
1 1 1   15   10   24 o   97.943   4.5573 9.245560 9.114652 
1 1 1   15   10   25 o  129.722   3.4736 6.539177 6.947224 
1 1 1   15   10   26 o   90.732   4.8122 2.835419 9.624496 
1 1 1   15   10   27 o   53.140   8.3421 -6.110596 16.68410 
1 1 1   15   10   28 f   93.490   6.3781 -23.47787 12.75628 
1 1 1   15   10   29 o   40.528   9.3142 -7.856525 18.62833 
1 1 1   15   10   30 o   33.782   7.7282 -30.32574 15.45649 
1 1 1   15   10   31 o   28.367   8.6410 6.686605 17.28207 
1 1 1   15   10   32 o   32.675   8.9665 -11.97564 17.93299 
1 1 1   15   10   33 o   32.501   9.2554 -4.554853 18.51087 
1 1 1   15   10   34 o   74.049   6.0764 22.65147 12.15275 
1 1 1   15   11    0 o  934.240   6.9414 0.000000 0.000000 
1 1 1   15   11    1 o  260.466   1.7391 0.6722107 3.478256 
1 1 1   15   11    2 f  741.924   3.9014 -0.6636963 7.802822 
1 1 1   15   11    3 o  331.486   2.0367 9.238464 4.073469 
1 1 1   15   11    4 o  282.072   1.9360 16.28235 3.871976 
1 1 1   15   11    5 o  360.886   2.3117 17.20493 4.623485 
1 1 1   15   11    6 o  220.847   1.6603 -0.2225952 3.320533 
1 1 1   15   11    7 o  400.962   2.2090 5.752197 4.418047 
1 1 1   15   11    8 o  143.396   1.8515 -7.473602 3.702918 
1 1 1   15   11    9 o  679.773   3.5937 0.6694946 7.187379 
1 1 1   15   11   10 o  206.202   1.7303 1.894501 3.460684 
1 1 1   15   11   11 o  322.359   1.9825 -1.319580 3.965052 
1 1 1   15   11   12 o  195.037   2.5856 19.07784 5.171283 
1 1 1   15   11   13 o  236.953   2.5380 1.940567 5.075980 
1 1 1   15   11   14 o  319.376   2.0743 5.484711 4.148624 
1 1 1   15   11   15 o  191.693   2.5514 -2.190125 5.102737 
1 1 1   15   11   16 o  483.425   2.8097 3.385223 5.619409 
1 1 1   15   11   17 o  108.063   5.5349 25.58753 11.06979 
1 1 1   15   11   18 o   99.967   4.3835 -2.332817 8.767049 
1 1 1   15   11   19 o  221.529   2.4764 4.625946 4.952840 
1 1 1   15   11   20 o  149.801   3.3218 1.651810 6.643637 
1 1 1   15   11   21 f  339.071   2.3867 -1.545380 4.773487 
1 1 1   15   11   22 o  106.682   4.3842 -2.821198 8.768414 
1 1 1   15   11   23 o  282.942   2.3529 -1.764130 4.705770 
1 1 1   15   11   24 o  114.188   3.9638 0.9679642 7.927580 
1 1 1   15   11   25 o   97.370   4.6025 8.921257 9.205081 
1 1 1   15   11   26 o   88.930   5.1171 -4.961365 10.23423 
1 1 1   15   11   27 o  123.443   3.8693 2.578262 7.738611 
1 1 1   15   11   28 o   90.732   4.7645 2.514290 9.528982 
1 1 1   15   11   29 o   86.326   5.1046 12.61289 10.20920 
1 1 1   15   11   30 o   45.207   9.6176 13.99372 19.23528 
1 1 1   15   11   31 o   81.136   5.4582 10.26865 10.91639 
1 1 1   15   11   32 o  133.326   3.6969 2.441391 7.393748 
1 1 1   15   11   33 o   32.701   8.9587 -15.14513 17.91743 
1 1 1   15   11   34 o   41.397   8.3517 -22.96009 16.70331 
1 1 1   15   12    0 o  263.310   3.1440 0.000000 0.000000 
1 1 1   15   12    1 o  212.275   2.0201 2.947952 4.040156 
1 1 1   15   12    2 o  760.713   4.0004 0.6416626 8.000806 
1 1 1   15   12    3 o  492.296   2.8603 -4.421204 5.720700 
1 1 1   15   12    4 o  693.012   3.6536 1.299805 7.307206 
1 1 1   15   12    5 o  464.874   2.5062 0.1855469 5.012357 
1 1 1   15   12    6 o  182.026   1.6259 -7.279388 3.251732 
1 1 1   15   12    7 o  372.427   2.0939 -3.730713 4.187741 
1 1 1   15   12    8 o   26.532   6.1227 -16.84248 12.24549 
1 1 1   15   12    9 o  205.503   1.7391 -2.207657 3.478198 
1 1 1   15   12   10 o  366.757   2.2799 0.3347778E-01 4.559865 
1 1 1   15   12   11 o  299.041   1.9275 -3.690918 3.855017 
1 1 1   15   12   12 o   54.303   5.9411 -9.509670 11.88210 
1 1 1   15   12   13 o  375.950   2.2455 3.608704 4.491083 
1 1 1   15   12   14 o  515.889   3.0775 2.864990 6.155042 
1 1 1   15   12   15 f  139.825   2.9965 12.61220 5.992957 
1 1 1   15   12   16 o  399.746   2.5992 0.6524658 5.198476 
1 1 1   15   12   17 o  253.213   2.3864 7.365677 4.772778 
1 1 1   15   12   18 o  140.768   3.2618 0.3244476 6.523520 
1 1 1   15   12   19 o  101.006   4.3969 -4.938866 8.793895 
1 1 1   15   12   20 o  171.920   2.8119 2.808716 5.623850 
1 1 1   15   12   21 o  226.160   2.4805 -2.138962 4.961084 
1 1 1   15   12   22 o  188.584   2.7368 6.659592 5.473561 
1 1 1   15   12   23 o  102.704   4.4830 10.47670 8.965920 
1 1 1   15   12   24 o  123.830   3.6336 1.274368 7.267202 
1 1 1   15   12   25 o   22.652   7.4931 4.629625 14.98618 
1 1 1   15   12   26 o   81.762   5.1469 17.32607 10.29387 
1 1 1   15   12   27 o   59.613   9.2919 -9.409565 18.58375 
1 1 1   15   12   28 o  134.156   3.4765 -5.780975 6.952986 
1 1 1   15   12   29 o   35.005   8.9672 -10.77073 17.93439 
1 1 1   15   12   30 o   30.378   8.7541 2.928373 17.50824 
1 1 1   15   12   31 o   78.275   6.1373 -10.34574 12.27460 
1 1 1   15   12   32 o   31.067   9.0970 6.456818 18.19407 
1 1 1   15   12   33 o   35.565   9.7121 6.939766 19.42414 
1 1 1   15   12   34 o  103.285   4.0860 14.29904 8.171981 
1 1 1   15   13    0 o  136.735   2.5810 0.000000 0.000000 
1 1 1   15   13    1 o   95.106   2.7453 -13.71207 5.490691 
1 1 1   15   13    2 o  113.658   2.0683 2.676888 4.136666 
1 1 1   15   13    3 o  165.162   1.7683 6.213013 3.536505 
1 1 1   15   13    4 o  146.739   1.8740 2.488968 3.747969 
1 1 1   15   13    5 o  290.724   1.9053 -5.281189 3.810688 
1 1 1   15   13    6 o  231.156   1.7752 -7.461044 3.550499 
1 1 1   15   13    7 o  245.467   1.9113 -5.915497 3.822669 
1 1 1   15   13    8 o  518.027   3.0143 0.7660522 6.028600 
1 1 1   15   13    9 o  427.195   3.4109 12.73599 6.821753 
1 1 1   15   13   10 o  177.370   2.1492 -15.38734 4.298389 
1 1 1   15   13   11 o  196.298   1.9320 6.464569 3.863980 
1 1 1   15   13   12 o  228.851   2.0595 -1.186768 4.118949 
1 1 1   15   13   13 o   62.675   5.2478 2.180477 10.49569 
1 1 1   15   13   14 o  307.939   2.1703 2.298035 4.340508 
1 1 1   15   13   15 o  201.860   2.4208 4.582947 4.841627 
1 1 1   15   13   16 o  307.084   2.2728 4.825043 4.545526 
1 1 1   15   13   17 o   65.473   6.5349 3.310822 13.06973 
1 1 1   15   13   18 o  200.608   2.7607 0.3096924 5.521435 
1 1 1   15   13   19 o  182.303   2.6529 3.551529 5.305800 
1 1 1   15   13   20 o  105.226   4.3009 2.528061 8.601735 
1 1 1   15   13   21 o   31.339   8.9492 4.911726 17.89834 
1 1 1   15   13   22 o  216.415   2.3818 2.646317 4.763612 
1 1 1   15   13   23 o  366.552   2.5420 -4.641052 5.083993 
1 1 1   15   13   24 o   58.223   7.0238 -0.2368851 14.04763 
1 1 1   15   13   25 o  220.389   2.4321 0.8879089E-01 4.864111 
1 1 1   15   13   26 o   84.362   5.1394 0.5387802 10.27886 
1 1 1   15   13   27 o   98.686   4.7455 -7.171303 9.490899 
1 1 1   15   13   28 o   66.798   6.6137 -6.513531 13.22749 
1 1 1   15   13   29 o   38.744   8.2868 27.19165 16.57351 
1 1 1   15   13   30 o   18.907   6.5866 0.9702663 13.17327 
1 1 1   15   13   31 o  123.661   3.9205 3.844597 7.841087 
1 1 1   15   13   32 o  106.076   4.4751 -9.653091 8.950241 
1 1 1   15   13   33 o   34.713   9.0133 1.408028 18.02652 
1 1 1   15   14    0 o  112.478   3.4735 0.000000 0.000000 
1 1 1   15   14    1 o  236.433   1.6553 2.346695 3.310532 
1 1 1   15   14    2 o  176.038   1.7038 1.692383 3.407603 
1 1 1   15   14    3 o  188.130   1.8692 -1.082809 3.738378 
1 1 1   15   14    4 o  342.954   1.9992 -0.6882019 3.998388 
1 1 1   15   14    5 o  508.265   2.7375 -6.467560 5.475010 
1 1 1   15   14    6 o  210.030   2.1667 2.239609 4.333334 
1 1 1   15   14    7 x  ?   ?       ?      ? 
1 1 1   15   14    8 o  122.223   2.8513 -30.79562 5.702538 
1 1 1   15   14    9 o   90.739   3.1817 -11.89616 6.363315 
1 1 1   15   14   10 o  642.536   3.4324 7.983643 6.864744 
1 1 1   15   14   11 o  630.146   3.3748 8.686279 6.749683 
1 1 1   15   14   12 o  175.111   2.0700 -7.628159 4.140039 
1 1 1   15   14   13 o  174.154   2.8250 1.363358 5.650002 
1 1 1   15   14   14 f  172.540   2.7410 -5.150360 5.481984 
1 1 1   15   14   15 o  205.396   2.5694 12.15050 5.138900 
1 1 1   15   14   16 o   36.762   9.0230 -0.5389557 18.04609 
1 1 1   15   14   17 o   54.131   7.7778 -12.30301 15.55559 
1 1 1   15   14   18 o  248.563   2.2769 5.505981 4.553821 
1 1 1   15   14   19 o  141.814   3.1707 -2.042511 6.341312 
1 1 1   15   14   20 o   31.651   8.5306 21.74329 17.06123 
1 1 1   15   14   21 f   59.140   7.5881 3.814701 15.17618 
1 1 1   15   14   22 o  159.618   2.9142 -3.271164 5.828405 
1 1 1   15   14   23 o  151.104   3.0589 2.264435 6.117731 
1 1 1   15   14   24 o  166.998   2.8082 3.131622 5.616392 
1 1 1   15   14   25 o  139.651   3.3138 9.544724 6.627645 
1 1 1   15   14   26 o   98.353   5.8947 -11.40683 11.78933 
1 1 1   15   14   27 f  167.323   2.7682 -6.299179 5.536472 
1 1 1   15   14   28 o   79.703   5.2445 -6.906631 10.48894 
1 1 1   15   14   29 o   60.018   7.7017 38.36250 15.40349 
1 1 1   15   14   30 o  138.499   3.4774 2.257004 6.954733 
1 1 1   15   14   31 o  115.374   4.1212 -11.76495 8.242352 
1 1 1   15   14   32 o   53.119   8.1961 -14.78951 16.39222 
1 1 1   15   14   33 o   95.239   4.8015 -3.249115 9.602916 
1 1 1   15   15    0 o   60.308   7.2744 0.000000 0.000000 
1 1 1   15   15    1 f  163.003   1.8895 -0.3213654 3.778927 
1 1 1   15   15    2 o  656.037   3.4835 -3.693665 6.967062 
1 1 1   15   15    3 f  425.422   2.3677 -6.003754 4.735385 
1 1 1   15   15    4 o  305.126   2.0275 -0.8487854 4.055010 
1 1 1   15   15    5 o  285.795   2.5416 -14.22421 5.083180 
1 1 1   15   15    6 o   98.928   3.3014 -4.810143 6.602740 
1 1 1   15   15    7 o  446.240   2.4779 6.787659 4.955871 
1 1 1   15   15    8 o  397.825   2.4533 0.1814880 4.906613 
1 1 1   15   15    9 o  231.885   1.9933 5.504227 3.986585 
1 1 1   15   15   10 o  207.928   2.5898 -9.764496 5.179582 
1 1 1   15   15   11 o  557.138   3.0289 10.47614 6.057857 
1 1 1   15   15   12 o  205.296   2.2223 2.285278 4.444541 
1 1 1   15   15   13 o  201.791   2.3247 16.10825 4.649392 
1 1 1   15   15   14 o  134.126   3.3920 1.900620 6.783929 
1 1 1   15   15   15 o  298.121   2.1966 2.510773 4.393223 
1 1 1   15   15   16 o  208.498   2.3389 -3.602539 4.677762 
1 1 1   15   15   17 o  294.122   2.5416 -1.417267 5.083178 
1 1 1   15   15   18 o  142.733   3.0351 -1.875732 6.070116 
1 1 1   15   15   19 o  226.992   2.3002 2.593857 4.600319 
1 1 1   15   15   20 o  141.053   3.1941 -5.478668 6.388217 
1 1 1   15   15   21 o  120.818   3.5358 0.5908661 7.071517 
1 1 1   15   15   22 o  193.359   2.4018 3.075180 4.803593 
1 1 1   15   15   23 o  156.618   2.7325 4.956573 5.465052 
1 1 1   15   15   24 o  154.072   2.7664 3.080261 5.532834 
1 1 1   15   15   25 o   19.425   6.5487 -5.156494 13.09747 
1 1 1   15   15   26 o   80.860   5.0366 9.018677 10.07316 
1 1 1   15   15   27 o   35.218   8.2105 25.54930 16.42091 
1 1 1   15   15   28 o  126.559   3.4838 1.504616 6.967611 
1 1 1   15   15   29 o   43.245   9.2810 1.162590 18.56200 
1 1 1   15   15   30 o   22.127   7.4322 3.665300 14.86435 
1 1 1   15   15   31 o   84.325   5.3021 -8.836060 10.60415 
1 1 1   15   15   32 f   25.280   7.9231 -3.811312 15.84612 
1 1 1   15   16    0 o  317.942   3.3243 0.000000 0.000000 
1 1 1   15   16    1 o  270.010   1.9879 -3.642548 3.975804 
1 1 1   15   16    2 o  412.017   2.3376 -4.873810 4.675189 
1 1 1   15   16    3 o  489.408   2.6777 -2.468140 5.355321 
1 1 1   15   16    4 o  153.182   2.1146 1.226761 4.229231 
1 1 1   15   16    5 o  148.777   2.1284 5.815323 4.256878 
1 1 1   15   16    6 o  518.638   3.0462 13.08124 6.092423 
1 1 1   15   16    7 o  277.074   2.2615 -11.50476 4.522931 
1 1 1   15   16    8 o  360.735   2.8323 -5.083374 5.664559 
1 1 1   15   16    9 o  308.346   2.0214 -0.1766357 4.042807 
1 1 1   15   16   10 o  666.356   3.8588 8.818481 7.717581 
1 1 1   15   16   11 o  447.819   2.9675 -5.799927 5.935041 
1 1 1   15   16   12 o  177.750   3.0275 101.4632 6.054996 
1 1 1   15   16   13 o  103.312   3.8013 9.826706 7.602625 
1 1 1   15   16   14 f   68.389   7.1504 -29.14328 14.30087 
1 1 1   15   16   15 o  166.535   2.6319 3.369415 5.263713 
1 1 1   15   16   16 o   90.295   4.4564 10.23434 8.912869 
1 1 1   15   16   17 o  182.805   2.5031 -0.3996887 5.006258 
1 1 1   15   16   18 o  183.653   2.7132 -1.928467 5.426482 
1 1 1   15   16   19 o  254.825   2.4382 0.6273193 4.876488 
1 1 1   15   16   20 o   42.419   8.3107 24.84844 16.62138 
1 1 1   15   16   21 o   24.017   7.6804 2.142736 15.36082 
1 1 1   15   16   22 o  105.794   3.7830 8.117989 7.566026 
1 1 1   15   16   23 o  186.309   2.4894 -1.501587 4.978768 
1 1 1   15   16   24 o   79.696   4.9295 8.934982 9.858912 
1 1 1   15   16   25 o   29.941   8.8767 4.070616 17.75341 
1 1 1   15   16   26 f  154.268   2.9043 -0.4312897 5.808626 
1 1 1   15   16   27 f   85.354   4.8568 9.487511 9.713551 
1 1 1   15   16   28 o   39.707   8.5845 -16.93240 17.16901 
1 1 1   15   16   29 f   51.176   8.6503 -1.011181 17.30066 
1 1 1   15   16   30 o   27.086   8.3078 -3.939560 16.61551 
1 1 1   15   16   31 o   55.887   8.3423 -16.56100 16.68455 
1 1 1   15   16   32 o   94.870   4.5694 -31.12386 9.138860 
1 1 1   15   17    0 o  421.622   3.3658 0.000000 0.000000 
1 1 1   15   17    1 o  334.473   2.0612 -0.7080078E-02 4.122480 
1 1 1   15   17    2 o   70.309   5.5829 35.05886 11.16574 
1 1 1   15   17    3 o  402.784   2.3200 -4.601654 4.639962 
1 1 1   15   17    4 o  158.117   2.2949 6.330811 4.589705 
1 1 1   15   17    5 o  367.449   2.7701 -16.16226 5.540160 
1 1 1   15   17    6 o  268.981   2.3432 -1.640900 4.686455 
1 1 1   15   17    7 o  413.508   2.5337 5.134735 5.067399 
1 1 1   15   17    8 o  195.784   2.5377 0.8768158 5.075486 
1 1 1   15   17    9 o   99.050   4.3625 -0.1077347 8.725006 
1 1 1   15   17   10 o  358.127   2.6037 -3.136444 5.207431 
1 1 1   15   17   11 o   95.122   5.0038 -1.033463 10.00770 
1 1 1   15   17   12 o  303.728   2.5049 -3.426453 5.009770 
1 1 1   15   17   13 o  233.315   2.6251 2.066025 5.250199 
1 1 1   15   17   14 o  310.954   2.2686 11.77591 4.537214 
1 1 1   15   17   15 o  153.068   2.7801 0.9500580 5.560276 
1 1 1   15   17   16 o   75.756   5.4658 -8.177971 10.93153 
1 1 1   15   17   17 o  146.573   2.9357 1.513840 5.871418 
1 1 1   15   17   18 o  112.756   3.4852 0.6185074 6.970360 
1 1 1   15   17   19 o   95.852   4.3701 -5.045242 8.740184 
1 1 1   15   17   20 o  180.955   2.4787 6.351456 4.957483 
1 1 1   15   17   21 f   26.791   7.9190 16.88009 15.83797 
1 1 1   15   17   22 o  155.919   2.6967 5.544449 5.393422 
1 1 1   15   17   23 o  138.382   2.9359 10.10355 5.871763 
1 1 1   15   17   24 o  173.682   3.2719 12.11302 6.543727 
1 1 1   15   17   25 o  102.946   3.8779 -1.886711 7.755710 
1 1 1   15   17   26 f   34.609   8.3670 -17.44776 16.73394 
1 1 1   15   17   27 o   49.523   8.0054 -21.34184 16.01088 
1 1 1   15   17   28 o   37.335   9.4002 -4.857071 18.80034 
1 1 1   15   17   29 o   72.898   6.3659 10.78795 12.73180 
1 1 1   15   17   30 o   30.209   8.7767 9.663361 17.55338 
1 1 1   15   17   31 o   37.507   8.3231 -15.81410 16.64618 
1 1 1   15   18    0 o  525.552   4.0537 0.000000 0.000000 
1 1 1   15   18    1 o  296.017   2.0060 10.25150 4.012010 
1 1 1   15   18    2 o  339.115   2.1129 -0.8109436 4.225747 
1 1 1   15   18    3 o  400.429   2.3154 -6.097198 4.630747 
1 1 1   15   18    4 o  189.131   2.1339 9.949478 4.267797 
1 1 1   15   18    5 o  146.726   2.3276 -12.35571 4.655138 
1 1 1   15   18    6 o  173.653   2.0724 1.615494 4.144790 
1 1 1   15   18    7 o  211.594   2.9094 -9.950256 5.818801 
1 1 1   15   18    8 o  312.151   2.4566 -5.850555 4.913116 
1 1 1   15   18    9 o  288.651   2.7039 -10.89496 5.407776 
1 1 1   15   18   10 o  193.102   2.8010 -5.370850 5.601993 
1 1 1   15   18   11 o  171.846   2.9572 -3.618240 5.914460 
1 1 1   15   18   12 o  165.986   3.0605 5.108749 6.120940 
1 1 1   15   18   13 o   75.039   6.3192 11.06722 12.63840 
1 1 1   15   18   14 o  148.524   3.5350 -11.71167 7.069967 
1 1 1   15   18   15 f  130.115   3.6926 2.243561 7.385269 
1 1 1   15   18   16 o  111.573   3.4939 11.15643 6.987834 
1 1 1   15   18   17 o  229.623   2.2678 -1.265152 4.535512 
1 1 1   15   18   18 o  272.043   2.2054 -0.5541687 4.410839 
1 1 1   15   18   19 o  103.213   3.9890 -6.781357 7.977993 
1 1 1   15   18   20 o   97.855   4.0383 -11.57233 8.076643 
1 1 1   15   18   21 o   26.707   8.0351 3.677992 16.07029 
1 1 1   15   18   22 o   18.707   6.2729 -5.089386 12.54586 
1 1 1   15   18   23 o   57.294   8.2275 24.95954 16.45495 
1 1 1   15   18   24 o   88.640   4.5376 -12.56917 9.075178 
1 1 1   15   18   25 o  121.638   3.2017 -6.671989 6.403354 
1 1 1   15   18   26 o   87.569   4.6381 9.717194 9.276209 
1 1 1   15   18   27 o   48.515   8.2662 -9.360363 16.53241 
1 1 1   15   18   28 o   99.635   4.2992 3.076797 8.598390 
1 1 1   15   18   29 o   48.258   8.9866 -0.4829025E-01 17.97319 
1 1 1   15   18   30 o   84.910   4.9669 -6.685677 9.933716 
1 1 1   15   18   31 o   33.488   9.4685 15.23495 18.93709 
1 1 1   15   19    0 o   48.496   12.870 0.000000 0.000000 
1 1 1   15   19    1 o   64.776   5.9665 -26.59529 11.93307 
1 1 1   15   19    2 o  362.610   2.1803 1.828918 4.360574 
1 1 1   15   19    3 o  174.645   2.2009 4.139908 4.401834 
1 1 1   15   19    4 o  193.316   2.1010 -4.550308 4.201962 
1 1 1   15   19    5 o  399.071   2.3294 -3.182068 4.658727 
1 1 1   15   19    6 o  285.298   2.4189 2.146179 4.837837 
1 1 1   15   19    7 o  144.573   3.3195 -4.708054 6.638939 
1 1 1   15   19    8 o  292.828   2.4519 0.8062439 4.903803 
1 1 1   15   19    9 o  254.516   2.5001 3.345612 5.000188 
1 1 1   15   19   10 o   92.877   5.2128 -21.23548 10.42556 
1 1 1   15   19   11 o  176.256   2.8660 4.562927 5.731958 
1 1 1   15   19   12 o   27.979   8.6015 -2.402803 17.20309 
1 1 1   15   19   13 o   40.528   9.5270 7.908340 19.05392 
1 1 1   15   19   14 o   86.171   5.3493 7.816261 10.69856 
1 1 1   15   19   15 o  201.622   2.7383 -2.169083 5.476650 
1 1 1   15   19   16 o  149.850   3.2373 4.099319 6.474660 
1 1 1   15   19   17 o  215.406   2.1567 13.84747 4.313375 
1 1 1   15   19   18 o  100.222   3.7521 -3.972885 7.504193 
1 1 1   15   19   19 o  228.100   2.2959 1.107803 4.591702 
1 1 1   15   19   20 o   97.631   3.9669 -9.358765 7.933866 
1 1 1   15   19   21 o   62.155   5.6247 12.91694 11.24934 
1 1 1   15   19   22 o   98.034   4.1003 -2.138191 8.200596 
1 1 1   15   19   23 o  100.679   3.8916 12.31284 7.783117 
1 1 1   15   19   24 o   86.850   4.5394 2.181206 9.078739 
1 1 1   15   19   25 o   41.325   7.7891 34.78530 15.57812 
1 1 1   15   19   26 o   70.954   6.4873 43.15379 12.97467 
1 1 1   15   19   27 o   29.097   8.7796 6.307993 17.55923 
1 1 1   15   19   28 o   73.340   5.8500 8.259865 11.69995 
1 1 1   15   19   29 o  109.910   3.8936 9.789513 7.787104 
1 1 1   15   19   30 o   23.575   7.4799 -5.274294 14.95979 
1 1 1   15   20    0 o  489.713   3.8462 0.000000 0.000000 
1 1 1   15   20    1 f  118.409   3.5946 -13.04591 7.189154 
1 1 1   15   20    2 x  ?   ?       ?      ? 
1 1 1   15   20    3 o  232.826   2.2695 -2.983093 4.539098 
1 1 1   15   20    4 o  132.599   3.1435 7.772522 6.286936 
1 1 1   15   20    5 o  331.456   2.1277 -1.905701 4.255464 
1 1 1   15   20    6 o  135.708   3.5492 0.9380188 7.098385 
1 1 1   15   20    7 o   83.265   6.2344 11.79761 12.46880 
1 1 1   15   20    8 f  178.382   2.8964 -1.241257 5.792818 
1 1 1   15   20    9 o  105.353   4.3844 12.14439 8.768800 
1 1 1   15   20   10 o  140.821   3.3368 10.26450 6.673699 
1 1 1   15   20   11 o   74.146   6.2442 11.99669 12.48838 
1 1 1   15   20   12 o  135.132   3.5939 5.279083 7.187716 
1 1 1   15   20   13 o   45.346   9.2243 -13.81444 18.44870 
1 1 1   15   20   14 o  182.801   2.8291 3.599869 5.658114 
1 1 1   15   20   15 o   32.640   9.0725 -11.20358 18.14508 
1 1 1   15   20   16 o  170.031   2.9070 8.933273 5.814016 
1 1 1   15   20   17 o  166.001   2.9419 -1.993607 5.883773 
1 1 1   15   20   18 o  136.180   2.6890 4.406631 5.377937 
1 1 1   15   20   19 o   87.430   4.0539 -11.28527 8.107870 
1 1 1   15   20   20 o   99.663   3.6823 8.385750 7.364499 
1 1 1   15   20   21 o  143.761   2.8265 -13.09946 5.652983 
1 1 1   15   20   22 o  105.983   3.4797 4.348114 6.959462 
1 1 1   15   20   23 o   49.565   7.4049 1.703667 14.80987 
1 1 1   15   20   24 f   66.072   5.7011 -3.031540 11.40215 
1 1 1   15   20   25 o   43.538   8.4085 7.505657 16.81692 
1 1 1   15   20   26 o   77.576   5.0845 8.848343 10.16899 
1 1 1   15   20   27 f   83.779   5.0369 4.939110 10.07380 
1 1 1   15   20   28 o  101.974   4.1237 -1.447655 8.247304 
1 1 1   15   20   29 o   36.307   9.0601 -5.014252 18.12022 
1 1 1   15   20   30 x  ?   ?       ?      ? 
1 1 1   15   21    0 o   45.729   10.545 0.000000 0.000000 
1 1 1   15   21    1 o  125.650   2.9956 2.887642 5.991146 
1 1 1   15   21    2 o  176.540   2.5635 -8.690048 5.127007 
1 1 1   15   21    3 o  295.872   2.0565 1.886322 4.113098 
1 1 1   15   21    4 o   43.500   7.7861 -12.76120 15.57225 
1 1 1   15   21    5 o  219.477   2.1077 -8.121384 4.215345 
1 1 1   15   21    6 o  107.476   4.9120 -3.988007 9.823912 
1 1 1   15   21    7 o  185.984   2.7036 11.37532 5.407294 
1 1 1   15   21    8 o   97.732   4.6105 -1.518120 9.220937 
1 1 1   15   21    9 o   58.772   8.1942 -3.129208 16.38848 
1 1 1   15   21   10 o   69.058   7.1251 -21.97921 14.25013 
1 1 1   15   21   11 o   54.138   8.8253 12.98135 17.65054 
1 1 1   15   21   12 o  125.598   3.8067 7.776970 7.613496 
1 1 1   15   21   13 o  168.005   3.0973 -1.938583 6.194528 
1 1 1   15   21   14 o  151.184   3.3030 -5.260666 6.606073 
1 1 1   15   21   15 o   28.414   8.4059 -15.97669 16.81175 
1 1 1   15   21   16 o  231.214   2.5244 -1.706757 5.048821 
1 1 1   15   21   17 o  104.590   4.2462 10.57196 8.492332 
1 1 1   15   21   18 o  126.120   3.5739 6.410591 7.147744 
1 1 1   15   21   19 o   76.955   5.6397 -10.03092 11.27942 
1 1 1   15   21   20 o  135.589   2.7345 12.02592 5.468932 
1 1 1   15   21   21 o   27.762   7.8412 19.78897 15.68243 
1 1 1   15   21   22 o  119.099   3.2706 -1.479858 6.541209 
1 1 1   15   21   23 o   25.154   7.7277 13.44938 15.45547 
1 1 1   15   21   24 o   88.222   4.4105 -5.031578 8.820971 
1 1 1   15   21   25 o  122.497   3.2172 2.124329 6.434378 
1 1 1   15   21   26 o   83.859   5.2123 -11.98557 10.42461 
1 1 1   15   21   27 o   28.461   8.4359 4.221199 16.87178 
1 1 1   15   21   28 o   25.767   8.0351 7.749416 16.07016 
1 1 1   15   21   29 o   48.590   10.315 -28.78096 20.62961 
1 1 1   15   22    0 o   45.546   11.716 0.000000 0.000000 
1 1 1   15   22    1 o  248.145   2.1641 1.140457 4.328207 
1 1 1   15   22    2 o   49.634   7.0025 -41.72177 14.00507 
1 1 1   15   22    3 o  115.535   3.1752 -5.865295 6.350469 
1 1 1   15   22    4 o  142.862   2.6295 -2.193710 5.259002 
1 1 1   15   22    5 o  112.163   3.1575 -1.251938 6.314985 
1 1 1   15   22    6 o   88.336   5.2922 10.20984 10.58433 
1 1 1   15   22    7 o   28.736   8.6857 4.864864 17.37141 
1 1 1   15   22    8 f  145.629   3.3247 -2.954605 6.649339 
1 1 1   15   22    9 o   86.941   5.2397 -2.831337 10.47930 
1 1 1   15   22   10 o  168.205   2.9975 -3.887878 5.994899 
1 1 1   15   22   11 o   81.557   5.4442 -3.745750 10.88837 
1 1 1   15   22   12 o   71.716   6.5115 4.988274 13.02292 
1 1 1   15   22   13 o  186.950   2.7415 -1.135620 5.482911 
1 1 1   15   22   14 o  209.499   2.4834 0.8056641E-01 4.966710 
1 1 1   15   22   15 o  117.060   3.7245 9.595802 7.449027 
1 1 1   15   22   16 o   83.696   5.0859 3.890289 10.17189 
1 1 1   15   22   17 o   45.399   9.2346 -9.394932 18.46929 
1 1 1   15   22   18 o   94.416   4.7319 -6.540283 9.463808 
1 1 1   15   22   19 o   61.099   7.9568 -12.26524 15.91365 
1 1 1   15   22   20 o   32.337   8.5082 21.70156 17.01635 
1 1 1   15   22   21 o  114.091   3.1456 1.344948 6.291223 
1 1 1   15   22   22 f   24.390   7.1644 23.07808 14.32873 
1 1 1   15   22   23 o   91.158   4.0869 7.902435 8.173830 
1 1 1   15   22   24 o   67.165   5.4951 15.85417 10.99029 
1 1 1   15   22   25 o   28.945   8.3410 1.216034 16.68198 
1 1 1   15   22   26 o   24.371   7.8113 16.26916 15.62266 
1 1 1   15   22   27 o   24.730   7.8948 8.497648 15.78963 
1 1 1   15   22   28 f   58.235   6.3491 16.98668 12.69815 
1 1 1   15   23    0 o  150.945   3.7049 0.000000 0.000000 
1 1 1   15   23    1 o  154.480   2.5666 4.610168 5.133257 
1 1 1   15   23    2 o  205.137   2.1493 -5.502380 4.298611 
1 1 1   15   23    3 o   46.632   7.8156 2.540131 15.63113 
1 1 1   15   23    4 o  287.202   2.0495 0.8500671 4.099021 
1 1 1   15   23    5 o  165.545   2.9739 -0.4100647 5.947789 
1 1 1   15   23    6 o   88.399   4.9451 -5.735680 9.890258 
1 1 1   15   23    7 o   41.099   8.8382 21.00299 17.67634 
1 1 1   15   23    8 o   92.992   4.9694 -5.934792 9.938834 
1 1 1   15   23    9 o   87.619   5.1672 4.305733 10.33434 
1 1 1   15   23   10 o  184.202   2.7711 -7.238617 5.542141 
1 1 1   15   23   11 o  105.268   4.2765 -10.37711 8.552988 
1 1 1   15   23   12 o  100.016   4.4942 8.969231 8.988482 
1 1 1   15   23   13 o   24.444   7.6983 -10.02451 15.39653 
1 1 1   15   23   14 o   35.385   8.7881 -12.99138 17.57627 
1 1 1   15   23   15 o   94.811   4.4964 -5.977249 8.992881 
1 1 1   15   23   16 o   61.931   7.2176 12.42299 14.43527 
1 1 1   15   23   17 o   46.165   9.2705 1.044018 18.54100 
1 1 1   15   23   18 o  182.258   3.2443 -4.793411 6.488565 
1 1 1   15   23   19 o   99.886   4.6795 -10.39931 9.359021 
1 1 1   15   23   20 o   98.932   4.5606 -17.67970 9.121266 
1 1 1   15   23   21 o  151.918   3.0687 0.2163544 6.137352 
1 1 1   15   23   22 o  107.751   3.3548 10.59162 6.709574 
1 1 1   15   23   23 o   91.405   3.8966 13.39219 7.793239 
1 1 1   15   23   24 o   22.638   7.3134 12.98937 14.62677 
1 1 1   15   23   25 o   47.012   8.1376 -5.570858 16.27513 
1 1 1   15   23   26 o   28.027   8.0347 -5.034624 16.06943 
1 1 1   15   23   27 o   56.927   6.9400 -15.34185 13.88007 
1 1 1   15   24    0 o   20.059   9.4037 0.000000 0.000000 
1 1 1   15   24    1 o  107.790   3.4783 -6.174965 6.956685 
1 1 1   15   24    2 o  108.976   3.5088 -0.9629745 7.017557 
1 1 1   15   24    3 o  208.611   2.1597 -2.750397 4.319416 
1 1 1   15   24    4 o   97.410   3.8347 7.303558 7.669304 
1 1 1   15   24    5 o   30.641   8.9250 6.487816 17.85003 
1 1 1   15   24    6 o   70.864   7.0276 -29.44842 14.05523 
1 1 1   15   24    7 o   59.009   7.9417 -19.96519 15.88347 
1 1 1   15   24    8 o   98.838   4.4981 -4.900169 8.996250 
1 1 1   15   24    9 o   84.074   6.6140 -15.94312 13.22790 
1 1 1   15   24   10 o   74.374   5.6617 -16.84446 11.32348 
1 1 1   15   24   11 f  219.038   2.4550 -1.223160 4.909959 
1 1 1   15   24   12 o  192.522   2.5969 13.10213 5.193751 
1 1 1   15   24   13 o   43.247   8.9786 -0.5679703E-01 17.95725 
1 1 1   15   24   14 o  152.185   3.1079 1.513840 6.215732 
1 1 1   15   24   15 o   35.884   9.8389 -3.260300 19.67771 
1 1 1   15   24   16 o  174.071   3.5774 2.664993 7.154851 
1 1 1   15   24   17 o   44.351   9.8600 9.536861 19.72003 
1 1 1   15   24   18 o   41.943   8.7807 -21.54721 17.56134 
1 1 1   15   24   19 o   73.626   6.0216 -6.008888 12.04315 
1 1 1   15   24   20 o   92.501   4.8279 -11.42876 9.655833 
1 1 1   15   24   21 o  122.662   3.8702 8.860695 7.740353 
1 1 1   15   24   22 o   22.973   7.4431 10.88431 14.88622 
1 1 1   15   24   23 o   20.894   6.9772 7.475328 13.95445 
1 1 1   15   24   24 o   96.403   4.2265 -9.921143 8.452951 
1 1 1   15   24   25 o   67.029   5.8722 11.58683 11.74447 
1 1 1   15   24   26 o   61.066   6.7253 -8.155540 13.45052 
1 1 1   15   25    0 f   21.485   9.8552 0.000000 0.000000 
1 1 1   15   25    1 o   34.992   8.4121 -12.05751 16.82416 
1 1 1   15   25    2 o  283.500   2.2033 5.963287 4.406655 
1 1 1   15   25    3 o  107.911   3.3110 -18.08061 6.621998 
1 1 1   15   25    4 o   46.546   7.3582 -14.53020 14.71635 
1 1 1   15   25    5 o   93.458   4.7194 -21.69550 9.438821 
1 1 1   15   25    6 f   89.483   4.7486 4.305084 9.497266 
1 1 1   15   25    7 o  175.143   3.2999 14.14748 6.599741 
1 1 1   15   25    8 o   89.186   4.7217 3.448746 9.443313 
1 1 1   15   25    9 o  115.494   3.6012 10.70418 7.202411 
1 1 1   15   25   10 o  196.987   2.5311 -5.351883 5.062296 
1 1 1   15   25   11 o   37.667   9.2336 1.837391 18.46711 
1 1 1   15   25   12 o   52.243   8.0743 -4.645897 16.14852 
1 1 1   15   25   13 o  117.708   4.6001 -1.139580 9.200261 
1 1 1   15   25   14 x  ?   ?       ?      ? 
1 1 1   15   25   15 o  368.891   3.1276 -5.553955 6.255157 
1 1 1   15   25   16 o   21.604   7.2066 -10.58507 14.41328 
1 1 1   15   25   17 o  119.477   3.7678 2.157524 7.535599 
1 1 1   15   25   18 o  114.388   3.9431 9.709015 7.886249 
1 1 1   15   25   19 o   22.263   7.3919 2.678249 14.78382 
1 1 1   15   25   20 o  108.999   4.0493 12.00557 8.098612 
1 1 1   15   25   21 o   45.252   9.0107 11.31358 18.02148 
1 1 1   15   25   22 o   86.077   5.5924 9.868477 11.18486 
1 1 1   15   25   23 o   86.717   4.0720 9.769653 8.144015 
1 1 1   15   25   24 o   18.169   6.2340 2.371811 12.46810 
1 1 1   15   25   25 o   18.049   6.2025 1.886801 12.40492 
1 1 1   15   26    0 o   65.695   8.9952 0.000000 0.000000 
1 1 1   15   26    1 o   84.383   4.3711 16.83591 8.742150 
1 1 1   15   26    2 o   18.195   6.1694 -0.1363049 12.33879 
1 1 1   15   26    3 o  146.829   2.4630 -10.25458 4.925956 
1 1 1   15   26    4 o   56.263   6.1613 5.282646 12.32266 
1 1 1   15   26    5 o   25.271   8.1179 17.92745 16.23576 
1 1 1   15   26    6 o   18.867   6.5180 2.237198 13.03603 
1 1 1   15   26    7 o   34.761   8.7568 14.16221 17.51369 
1 1 1   15   26    8 o   97.268   4.5095 0.8771591 9.019087 
1 1 1   15   26    9 o   47.747   8.4136 -5.616341 16.82711 
1 1 1   15   26   10 o   73.685   5.7004 5.667786 11.40078 
1 1 1   15   26   11 o   92.501   5.4182 -8.955490 10.83631 
1 1 1   15   26   12 o   73.205   5.9760 -4.587120 11.95194 
1 1 1   15   26   13 o  128.293   5.3249 78.13486 10.64986 
1 1 1   15   26   14 o  100.363   4.4875 -0.4262390 8.974952 
1 1 1   15   26   15 o   38.052   9.2647 -15.47428 18.52937 
1 1 1   15   26   16 o  132.746   3.4562 -8.949371 6.912426 
1 1 1   15   26   17 o   54.004   7.8901 17.67270 15.78019 
1 1 1   15   26   18 o   44.063   9.5643 -8.462727 19.12858 
1 1 1   15   26   19 o   71.498   6.0948 -14.19955 12.18952 
1 1 1   15   26   20 o   79.780   5.8421 -3.611984 11.68420 
1 1 1   15   26   21 o  108.844   4.4659 5.830910 8.931707 
1 1 1   15   26   22 o   44.386   8.9258 -24.31898 17.85169 
1 1 1   15   26   23 o   43.055   9.6293 6.121895 19.25852 
1 1 1   15   26   24 o   29.785   7.9381 22.30839 15.87630 
1 1 1   15   27    0 o   50.613   10.407 0.000000 0.000000 
1 1 1   15   27    1 o   54.932   6.1125 -6.916668 12.22506 
1 1 1   15   27    2 o  126.474   2.8052 -4.245354 5.610386 
1 1 1   15   27    3 o  124.120   2.9833 9.685913 5.966508 
1 1 1   15   27    4 o  113.995   3.0294 2.372742 6.058759 
1 1 1   15   27    5 o   84.049   4.6526 10.38313 9.305149 
1 1 1   15   27    6 f  153.262   2.9135 8.925964 5.827024 
1 1 1   15   27    7 o   43.040   8.8988 -3.606522 17.79754 
1 1 1   15   27    8 o  116.574   3.7770 3.426582 7.553967 
1 1 1   15   27    9 o   46.186   9.8198 -3.960732 19.63958 
1 1 1   15   27   10 o  126.930   3.7682 3.749321 7.536457 
1 1 1   15   27   11 o  104.935   4.2973 17.05933 8.594577 
1 1 1   15   27   12 o   37.026   9.3219 3.783108 18.64375 
1 1 1   15   27   13 o   27.624   8.1350 -13.09837 16.26997 
1 1 1   15   27   14 o  111.187   3.9570 -11.59229 7.914062 
1 1 1   15   27   15 o   23.008   7.4902 4.333906 14.98049 
1 1 1   15   27   16 o   44.795   11.095 -7.500919 22.18989 
1 1 1   15   27   17 o   32.306   8.8054 -13.22824 17.61079 
1 1 1   15   27   18 o   34.455   9.2926 -4.368557 18.58510 
1 1 1   15   27   19 o  104.846   4.4410 -7.682388 8.881978 
1 1 1   15   27   20 o   46.240   9.1280 14.38364 18.25602 
1 1 1   15   27   21 o   66.722   7.2088 -5.181244 14.41754 
1 1 1   15   27   22 o   45.571   9.6200 2.420563 19.24006 
1 1 1   15   27   23 o   37.327   9.0924 -19.70959 18.18472 
1 1 1   15   28    0 f   25.572   10.955 0.000000 0.000000 
1 1 1   15   28    1 o  103.334   3.0916 -9.064888 6.183219 
1 1 1   15   28    2 o   32.322   8.0554 -11.49990 16.11078 
1 1 1   15   28    3 o   63.650   5.1615 -20.79033 10.32302 
1 1 1   15   28    4 o   17.551   6.1153 -9.521056 12.23066 
1 1 1   15   28    5 o   38.517   6.3516 -43.33642 12.70327 
1 1 1   15   28    6 o   83.630   5.3908 6.021194 10.78165 
1 1 1   15   28    7 f  127.188   5.0486      ?      ? 
1 1 1   15   28    8 o   33.387   9.1323 -1.976238 18.26456 
1 1 1   15   28    9 o   22.512   7.4177 -7.725273 14.83543 
1 1 1   15   28   10 o   54.861   8.0657 2.348953 16.13142 
1 1 1   15   28   11 o   58.461   7.4502 -13.73078 14.90042 
1 1 1   15   28   12 o   28.121   8.4585 0.9918194 16.91693 
1 1 1   15   28   13 o   71.731   5.7125 4.367920 11.42504 
1 1 1   15   28   14 f   69.518   6.2692 -4.812523 12.53849 
1 1 1   15   28   15 o   86.038   7.7481 -10.64737 15.49626 
1 1 1   15   28   16 o   37.145   9.2316 3.334457 18.46315 
1 1 1   15   28   17 o   56.867   7.8124 10.10289 15.62487 
1 1 1   15   28   18 o   26.139   8.2381 -2.839363 16.47621 
1 1 1   15   28   19 o   84.134   5.6713 5.453537 11.34253 
1 1 1   15   28   20 f   79.110   6.1910 13.35382 12.38192 
1 1 1   15   28   21 o   69.218   6.4943 -5.985374 12.98858 
1 1 1   15   28   22 o   27.651   8.4863 -3.166096 16.97261 
1 1 1   15   29    0 o  220.016   3.7034 0.000000 0.000000 
1 1 1   15   29    1 o  136.257   3.1591 -7.298706 6.318280 
1 1 1   15   29    2 o  119.960   4.6477      ?      ? 
1 1 1   15   29    3 o   41.049   8.0579 -1.197433 16.11572 
1 1 1   15   29    4 o   38.172   8.2342 -12.74670 16.46832 
1 1 1   15   29    5 o   99.942   3.5341 -7.073677 7.068211 
1 1 1   15   29    6 o  131.923   3.6971 -17.18533 7.394117 
1 1 1   15   29    7 o  100.236   4.3295 -4.609398 8.658941 
1 1 1   15   29    8 o   93.243   4.6649 -9.089386 9.329714 
1 1 1   15   29    9 o   35.400   9.0185 -6.810949 18.03708 
1 1 1   15   29   10 o   56.285   7.4726 8.188095 14.94516 
1 1 1   15   29   11 o   69.409   6.3007 -13.93961 12.60146 
1 1 1   15   29   12 f   29.230   8.6583 0.1967049 17.31666 
1 1 1   15   29   13 o   38.801   9.1899 -10.61179 18.37974 
1 1 1   15   29   14 o   78.121   5.4683 -8.739273 10.93665 
1 1 1   15   29   15 o   96.184   4.6447 -3.531418 9.289384 
1 1 1   15   29   16 o   32.928   9.1159 3.448603 18.23185 
1 1 1   15   29   17 o   30.669   8.9498 -9.864964 17.89952 
1 1 1   15   29   18 o   80.126   6.0221 -9.500862 12.04415 
1 1 1   15   29   19 o   74.225   6.0521 2.930283 12.10425 
1 1 1   15   29   20 o   75.089   5.9944 -15.48214 11.98886 
1 1 1   15   30    0 o  125.931   4.4956 0.000000 0.000000 
1 1 1   15   30    1 o   79.626   4.0253 -14.13402 8.050538 
1 1 1   15   30    2 o   69.042   5.1982 8.346230 10.39648 
1 1 1   15   30    3 o   63.491   4.9832 -8.223431 9.966463 
1 1 1   15   30    4 o   52.934   6.9985 -3.660046 13.99708 
1 1 1   15   30    5 o   35.047   7.8759 1.414993 15.75171 
1 1 1   15   30    6 o   78.280   5.2002 -3.716049 10.40045 
1 1 1   15   30    7 o   28.550   8.3853 -6.539665 16.77055 
1 1 1   15   30    8 o  105.816   3.9073 1.409416 7.814620 
1 1 1   15   30    9 o   30.129   8.7437 -1.007586 17.48738 
1 1 1   15   30   10 o   63.059   7.0529 14.99403 14.10587 
1 1 1   15   30   11 o   76.839   5.7618 -9.348511 11.52364 
1 1 1   15   30   12 o   45.264   8.8285 11.66119 17.65690 
1 1 1   15   30   13 o  137.198   3.4942 -9.926010 6.988336 
1 1 1   15   30   14 o   64.572   7.2103 22.33574 14.42064 
1 1 1   15   30   15 o   24.803   8.0008 9.609966 16.00150 
1 1 1   15   30   16 o   26.556   8.3601 -8.997679 16.72015 
1 1 1   15   30   17 o   76.867   5.7722 -6.088844 11.54435 
1 1 1   15   30   18 o   26.847   8.3663 3.605169 16.73268 
1 1 1   15   30   19 o   32.511   9.0497 -2.219210 18.09931 
1 1 1   15   31    0 o   17.541   11.663 0.000000 0.000000 
1 1 1   15   31    1 f   47.285   6.8295 -18.48540 13.65898 
1 1 1   15   31    2 o   21.718   6.9459 -5.229713 13.89172 
1 1 1   15   31    3 o   17.568   5.9941 -5.122118 11.98817 
1 1 1   15   31    4 o   56.885   6.0729 19.70135 12.14590 
1 1 1   15   31    5 o   85.246   3.6995 -25.38921 7.399064 
1 1 1   15   31    6 o   82.599   5.7384 -3.118835 11.47678 
1 1 1   15   31    7 o   59.048   7.4819 20.06755 14.96379 
1 1 1   15   31    8 o   76.896   5.6876 18.28368 11.37525 
1 1 1   15   31    9 o   63.534   6.9397 1.870804 13.87948 
1 1 1   15   31   10 o   49.548   8.6398 3.322994 17.27965 
1 1 1   15   31   11 o  102.526   4.4409 9.814575 8.881863 
1 1 1   15   31   12 o   58.297   7.8442 2.072468 15.68833 
1 1 1   15   31   13 f   32.232   9.1224 -4.867599 18.24472 
1 1 1   15   31   14 o   27.387   8.5562 1.925388 17.11249 
1 1 1   15   31   15 o   52.442   8.6969 3.716007 17.39374 
1 1 1   15   31   16 o   57.752   8.1162 16.26112 16.23244 
1 1 1   15   31   17 o   82.242   7.4393      ?      ? 
1 1 1   15   32    0 o   32.527   11.256 0.000000 0.000000 
1 1 1   15   32    1 o   35.036   7.9450 -8.999361 15.89008 
1 1 1   15   32    2 o   28.492   7.8429 12.77412 15.68583 
1 1 1   15   32    3 o   21.844   6.9006 3.070351 13.80125 
1 1 1   15   32    4 o   24.056   7.1550 6.624704 14.31007 
1 1 1   15   32    5 o   31.049   7.6927 -16.66615 15.38532 
1 1 1   15   32    6 o   39.644   9.1204 8.508972 18.24072 
1 1 1   15   32    7 o   40.752   9.2669 -0.1739845 18.53373 
1 1 1   15   32    8 o   41.362   9.5671 3.794777 19.13429 
1 1 1   15   32    9 o   37.974   9.0553 21.04362 18.11056 
1 1 1   15   32   10 o   68.727   6.5461 -2.627945 13.09217 
1 1 1   15   32   11 o   33.898   9.0518 -12.40006 18.10350 
1 1 1   15   32   12 o   91.583   4.9282 5.439430 9.856304 
1 1 1   15   32   13 o   38.402   9.2425 -8.356022 18.48507 
1 1 1   15   32   14 o   77.706   5.8066 -15.47226 11.61313 
1 1 1   15   32   15 o   61.267   7.8332 -54.44025 15.66632 
1 1 1   15   33    0 o   31.810   10.726 0.000000 0.000000 
1 1 1   15   33    1 o   32.221   7.3487 -23.70324 14.69735 
1 1 1   15   33    2 o   40.610   8.0304 -2.628220 16.06083 
1 1 1   15   33    3 o   25.636   7.6301 -9.378298 15.26014 
1 1 1   15   33    4 o   89.954   3.8471 4.054138 7.694164 
1 1 1   15   33    5 o   40.692   7.8928 -11.61915 15.78565 
1 1 1   15   33    6 o   29.836   8.7588 3.167271 17.51759 
1 1 1   15   33    7 o   38.333   9.1039 -19.46434 18.20772 
1 1 1   15   33    8 o   53.838   7.9970 21.83312 15.99410 
1 1 1   15   33    9 o   36.659   9.2395 11.69347 18.47906 
1 1 1   15   33   10 o   23.652   7.7099 -2.504124 15.41972 
1 1 1   15   33   11 o   57.327   10.059 -10.99249 20.11760 
1 1 1   15   33   12 o   57.446   7.2723 -7.471207 14.54467 
1 1 1   15   33   13 o   27.906   8.6957 7.514877 17.39149 
1 1 1   15   34    0 o   18.546   9.0908 0.000000 0.000000 
1 1 1   15   34    1 o   31.520   8.1862 5.157612 16.37245 
1 1 1   15   34    2 o   36.446   8.4122 1.422310 16.82440 
1 1 1   15   34    3 o   26.313   7.8435 -3.891914 15.68699 
1 1 1   15   34    4 o   27.672   7.6936 8.890661 15.38729 
1 1 1   15   34    5 o   39.373   6.8331 26.01982 13.66626 
1 1 1   15   34    6 o   29.575   7.8792 -5.054743 15.75832 
1 1 1   15   34    7 o   58.378   9.2809 1.208214 18.56177 
1 1 1   15   34    8 o   35.276   8.7789 -6.438313 17.55774 
1 1 1   15   34    9 o   45.826   8.8339 3.123302 17.66781 
1 1 1   15   34   10 x  ?   ?       ?      ? 
1 1 1   15   35    0 o   36.049   12.036 0.000000 0.000000 
1 1 1   15   35    1 o   36.913   7.9007 -18.17001 15.80132 
1 1 1   15   35    2 f   70.362   6.0398 17.94625 12.07952 
1 1 1   15   35    3 o   42.950   8.2879 -22.99997 16.57574 
1 1 1   15   35    4 x  ?   ?       ?      ? 
1 1 1   15   35    5 x  ?   ?       ?      ? 
1 1 1   16    0    0 o  218.927   2.7378 0.000000 0.000000 
1 1 1   16    0    1 f  373.121   2.8528 0.000000 0.000000 
1 1 1   16    0    2 o  158.748   1.8677 0.000000 0.000000 
1 1 1   16    0    3 o  243.178   2.5711 0.000000 0.000000 
1 1 1   16    0    4 o   56.947   6.6613 0.000000 0.000000 
1 1 1   16    0    5 o   83.275   3.0810 0.000000 0.000000 
1 1 1   16    0    6 o  621.763   5.6932 0.000000 0.000000 
1 1 1   16    0    7 o   29.546   8.8487 0.000000 0.000000 
1 1 1   16    0    8 o   23.568   8.5786 0.000000 0.000000 
1 1 1   16    0    9 o  817.661   6.0759 0.000000 0.000000 
1 1 1   16    0   10 o  253.428   2.3431 0.000000 0.000000 
1 1 1   16    0   11 o  255.429   2.4155 0.000000 0.000000 
1 1 1   16    0   12 o  603.258   5.5438 0.000000 0.000000 
1 1 1   16    0   13 o  357.940   2.9406 0.000000 0.000000 
1 1 1   16    0   14 o  362.865   3.7210 0.000000 0.000000 
1 1 1   16    0   15 o  323.210   3.5561 0.000000 0.000000 
1 1 1   16    0   16 o  185.094   3.1214 0.000000 0.000000 
1 1 1   16    0   17 o  408.391   3.3655 0.000000 0.000000 
1 1 1   16    0   18 o  169.803   3.4376 0.000000 0.000000 
1 1 1   16    0   19 o   17.267   8.6016 0.000000 0.000000 
1 1 1   16    0   20 o  315.272   3.2167 0.000000 0.000000 
1 1 1   16    0   21 o  271.195   3.1805 0.000000 0.000000 
1 1 1   16    0   22 o  183.117   4.6252 0.000000 0.000000 
1 1 1   16    0   23 o   55.711   14.373 0.000000 0.000000 
1 1 1   16    0   24 o  156.949   4.7377 0.000000 0.000000 
1 1 1   16    0   25 o  115.783   7.0161 0.000000 0.000000 
1 1 1   16    0   26 f   32.415   12.453 0.000000 0.000000 
1 1 1   16    0   27 o   25.677   12.009 0.000000 0.000000 
1 1 1   16    0   28 o   24.656   11.387 0.000000 0.000000 
1 1 1   16    0   29 o  168.125   6.4843 0.000000 0.000000 
1 1 1   16    0   30 o  128.919   5.5239 0.000000 0.000000 
1 1 1   16    0   31 o  160.098   4.9095 0.000000 0.000000 
1 1 1   16    0   32 o   18.831   9.6230 0.000000 0.000000 
1 1 1   16    0   33 o   24.106   11.054 0.000000 0.000000 
1 1 1   16    0   34 o   28.891   12.260 0.000000 0.000000 
1 1 1   16    0   35 f   36.947   12.702 0.000000 0.000000 
1 1 1   16    1    0 o  583.819   5.3357 0.000000 0.000000 
1 1 1   16    1    1 o  576.607   3.0378 -6.776367 6.075675 
1 1 1   16    1    2 o  179.161   1.3277 -0.4826508 2.655492 
1 1 1   16    1    3 o  137.631   1.5274 0.6964264 3.054786 
1 1 1   16    1    4 o  143.387   1.3902 -1.196609 2.780409 
1 1 1   16    1    5 o  299.651   1.6947 2.723938 3.389322 
1 1 1   16    1    6 f  508.192   2.6981 4.023041 5.396149 
1 1 1   16    1    7 o  252.824   1.5632 0.6778107 3.126336 
1 1 1   16    1    8 o  192.369   1.6897 -4.552795 3.379472 
1 1 1   16    1    9 o  182.616   1.6154 -6.650742 3.230819 
1 1 1   16    1   10 o  322.027   2.0180 0.7146606 4.035978 
1 1 1   16    1   11 o  328.728   1.9220 0.7061768 3.844032 
1 1 1   16    1   12 o  340.599   2.1405 -1.171692 4.280991 
1 1 1   16    1   13 f  133.765   2.3154 4.593979 4.630823 
1 1 1   16    1   14 o  307.466   1.9589 -0.5194092E-01 3.917778 
1 1 1   16    1   15 o  235.745   2.4623 3.744736 4.924525 
1 1 1   16    1   16 o  247.958   2.1497 -0.7247925E-02 4.299390 
1 1 1   16    1   17 o  402.666   2.5492 -12.31897 5.098412 
1 1 1   16    1   18 o  436.687   2.5027 3.806702 5.005481 
1 1 1   16    1   19 f  401.052   2.4290 2.882263 4.857982 
1 1 1   16    1   20 o  135.880   3.3827 -0.4786682 6.765397 
1 1 1   16    1   21 f  297.122   2.2207 7.408783 4.441405 
1 1 1   16    1   22 o   51.724   9.8472 -2.209557 19.69434 
1 1 1   16    1   23 o  133.789   3.8252 -8.063507 7.650366 
1 1 1   16    1   24 o  112.638   4.5197 -0.9083252 9.039483 
1 1 1   16    1   25 o  182.091   2.9678 0.4009857 5.935644 
1 1 1   16    1   26 o  163.811   3.0096 -3.249954 6.019228 
1 1 1   16    1   27 o  117.408   4.2874 6.934723 8.574719 
1 1 1   16    1   28 o  124.773   3.6696 1.458153 7.339251 
1 1 1   16    1   29 o  109.043   4.9556 -15.47726 9.911216 
1 1 1   16    1   30 o   71.530   6.6522 -10.89846 13.30434 
1 1 1   16    1   31 o   43.635   9.6203 -6.621811 19.24062 
1 1 1   16    1   32 o   90.642   5.4905 -22.09315 10.98092 
1 1 1   16    1   33 o  118.432   4.4017 -4.908485 8.803314 
1 1 1   16    1   34 o   37.992   9.5905 -10.02304 19.18094 
1 1 1   16    1   35 o   72.687   6.1867 5.167206 12.37339 
1 1 1   16    2    0 o  512.266   3.8341 0.000000 0.000000 
1 1 1   16    2    1 f  283.295   1.9697 0.8678284 3.939314 
1 1 1   16    2    2 o  524.309   2.7704 2.049805 5.540838 
1 1 1   16    2    3 o  355.079   1.9328 -1.155365 3.865533 
1 1 1   16    2    4 o   96.398   1.8124 1.172333 3.624722 
1 1 1   16    2    5 o  528.455   3.0189 5.686218 6.037709 
1 1 1   16    2    6 o  360.158   1.9772 1.794983 3.954388 
1 1 1   16    2    7 o  289.430   1.6942 -1.861938 3.388412 
1 1 1   16    2    8 o  452.801   2.6297 3.591125 5.259315 
1 1 1   16    2    9 o  161.263   1.6652 0.6772461 3.330361 
1 1 1   16    2   10 o  212.040   1.8565 -1.499329 3.712988 
1 1 1   16    2   11 f  199.977   1.8255 1.919571 3.650998 
1 1 1   16    2   12 o   99.891   2.7208 6.743492 5.441607 
1 1 1   16    2   13 o  741.680   3.9134 9.820740 7.826863 
1 1 1   16    2   14 o  261.979   2.4489 12.88440 4.897738 
1 1 1   16    2   15 o  319.083   2.3492 -4.463806 4.698376 
1 1 1   16    2   16 o  359.325   2.1881 3.560028 4.376288 
1 1 1   16    2   17 o  243.925   2.7378 -5.105759 5.475695 
1 1 1   16    2   18 o  128.299   3.3690 2.944351 6.737925 
1 1 1   16    2   19 o   87.313   4.9276 -0.6115646 9.855190 
1 1 1   16    2   20 o   91.712   4.8459 -3.322197 9.691724 
1 1 1   16    2   21 o  163.431   2.9688 1.041458 5.937522 
1 1 1   16    2   22 o  172.155   3.0203 -3.823364 6.040530 
1 1 1   16    2   23 o  212.382   2.7048 -2.901672 5.409695 
1 1 1   16    2   24 o  147.433   3.5072 -7.594574 7.014311 
1 1 1   16    2   25 o  133.934   3.5938 0.1897430 7.187692 
1 1 1   16    2   26 f   55.994   8.7058 -7.523045 17.41157 
1 1 1   16    2   27 o  103.118   4.4990 -4.416267 8.997958 
1 1 1   16    2   28 o  122.618   3.8342 -3.975586 7.668351 
1 1 1   16    2   29 o  185.252   3.5768 -17.36670 7.153650 
1 1 1   16    2   30 o   27.572   8.5341 -9.012438 17.06822 
1 1 1   16    2   31 o   27.087   8.5152 -4.394869 17.03038 
1 1 1   16    2   32 o   74.036   6.7065 -5.829063 13.41291 
1 1 1   16    2   33 o   78.809   6.1129 4.438072 12.22580 
1 1 1   16    2   34 o   44.540   9.7912 5.155140 19.58235 
1 1 1   16    2   35 f   42.302   9.0223 12.80100 18.04469 
1 1 1   16    3    0 o  215.727   1.9535 0.000000 0.000000 
1 1 1   16    3    1 o  123.554   1.4670 -2.360954 2.933925 
1 1 1   16    3    2 o  618.281   3.7550 1.396240 7.509979 
1 1 1   16    3    3 o  183.431   1.4376 -2.147629 2.875115 
1 1 1   16    3    4 o  542.603   3.0964 -2.272888 6.192780 
1 1 1   16    3    5 o  685.026   3.6003 -6.550110 7.200617 
1 1 1   16    3    6 o  454.527   2.4327 -4.020508 4.865479 
1 1 1   16    3    7 o  231.883   1.5285 4.214600 3.056964 
1 1 1   16    3    8 o  736.189   4.1808 5.360352 8.361614 
1 1 1   16    3    9 o  566.920   3.0095 -2.798523 6.019041 
1 1 1   16    3   10 o  459.108   2.4843 2.428680 4.968678 
1 1 1   16    3   11 o  455.078   2.4714 2.844635 4.942840 
1 1 1   16    3   12 o  268.500   1.7735 0.5678101 3.546918 
1 1 1   16    3   13 o  432.990   2.3953 7.579407 4.790534 
1 1 1   16    3   14 o  543.851   3.1737 -0.1887207 6.347342 
1 1 1   16    3   15 o   36.851   8.5579 27.14355 17.11584 
1 1 1   16    3   16 o   95.884   4.0791 -4.411560 8.158182 
1 1 1   16    3   17 o  408.018   3.1041 13.19016 6.208219 
1 1 1   16    3   18 o  100.219   4.0778 2.125290 8.155511 
1 1 1   16    3   19 o  212.881   2.7318 -11.09409 5.463560 
1 1 1   16    3   20 o   56.907   8.5345 -5.940708 17.06907 
1 1 1   16    3   21 o   49.496   9.1038 -10.76772 18.20751 
1 1 1   16    3   22 f   97.190   5.0655 -9.669243 10.13105 
1 1 1   16    3   23 o  169.346   3.2431 1.255524 6.486162 
1 1 1   16    3   24 o  122.051   4.0211 -6.730606 8.042128 
1 1 1   16    3   25 o   58.481   8.3559 -0.3562965 16.71176 
1 1 1   16    3   26 o   72.504   6.5546 11.62186 13.10913 
1 1 1   16    3   27 o   83.697   5.3515 7.804558 10.70297 
1 1 1   16    3   28 o  137.066   3.6555 -9.003220 7.311064 
1 1 1   16    3   29 o   66.552   8.5127 16.49803 17.02543 
1 1 1   16    3   30 o   77.057   5.9239 0.5013428 11.84774 
1 1 1   16    3   31 o   76.860   6.3178 -17.19717 12.63555 
1 1 1   16    3   32 o   43.429   9.8015 6.997757 19.60294 
1 1 1   16    3   33 o   36.248   9.5911 4.991135 19.18211 
1 1 1   16    3   34 o   58.457   8.6997 6.743298 17.39945 
1 1 1   16    3   35 o   30.052   8.7737 -0.8091526 17.54730 
1 1 1   16    4    0 o  319.798   2.5022 0.000000 0.000000 
1 1 1   16    4    1 o  274.815   1.5806 1.176941 3.161117 
1 1 1   16    4    2 o  443.415   2.3648 -1.370941 4.729535 
1 1 1   16    4    3 o  259.496   1.6532 -1.345093 3.306312 
1 1 1   16    4    4 o  357.064   1.9494 -4.576263 3.898742 
1 1 1   16    4    5 o  182.758   1.3991 -5.711227 2.798217 
1 1 1   16    4    6 o  103.706   2.5486 2.069481 5.097264 
1 1 1   16    4    7 o  453.469   2.4365 5.089600 4.872941 
1 1 1   16    4    8 o  179.667   1.5596 1.535721 3.119261 
1 1 1   16    4    9 o  611.767   3.2379 -2.682617 6.475749 
1 1 1   16    4   10 o  188.612   1.8332 7.262894 3.666372 
1 1 1   16    4   11 o  287.893   1.8002 1.444214 3.600310 
1 1 1   16    4   12 o  258.470   1.9014 -4.170380 3.802863 
1 1 1   16    4   13 o  287.785   1.8778 2.748047 3.755674 
1 1 1   16    4   14 o  529.460   3.5072 9.096008 7.014400 
1 1 1   16    4   15 o  200.937   2.9320 36.73637 5.864087 
1 1 1   16    4   16 o  604.552   3.2556 -3.430115 6.511242 
1 1 1   16    4   17 f  148.877   2.7841 2.401779 5.568232 
1 1 1   16    4   18 o  261.356   2.1227 0.6842651 4.245396 
1 1 1   16    4   19 o  298.550   2.5928 -10.37714 5.185644 
1 1 1   16    4   20 o  216.355   2.5452 -6.116425 5.090481 
1 1 1   16    4   21 o  181.521   2.8802 2.777237 5.760335 
1 1 1   16    4   22 o  214.885   3.0635 -4.456833 6.126991 
1 1 1   16    4   23 o  153.539   3.1769 2.285278 6.353774 
1 1 1   16    4   24 o  150.962   3.4657 0.4522705 6.931348 
1 1 1   16    4   25 o  105.894   4.7470 -17.35806 9.494092 
1 1 1   16    4   26 o  126.500   3.8866 4.457001 7.773188 
1 1 1   16    4   27 o  163.395   2.9881 -1.911636 5.976137 
1 1 1   16    4   28 o   23.709   7.8096 -0.1733856 15.61924 
1 1 1   16    4   29 o  183.190   2.7930 7.123077 5.586052 
1 1 1   16    4   30 o   51.662   9.0598 7.867004 18.11961 
1 1 1   16    4   31 o   28.053   8.4421 9.444994 16.88420 
1 1 1   16    4   32 o  101.506   4.8641 -4.654938 9.728264 
1 1 1   16    4   33 o   23.373   7.8107 -4.510946 15.62146 
1 1 1   16    4   34 o   48.556   9.3455 9.833878 18.69092 
1 1 1   16    4   35 o   36.455   9.3123 4.580441 18.62457 
1 1 1   16    5    0 o  569.878   4.2523 0.000000 0.000000 
1 1 1   16    5    1 f  235.880   1.4392 -1.041992 2.878433 
1 1 1   16    5    2 f  431.936   2.3071 -0.4347229 4.614201 
1 1 1   16    5    3 o  151.678   1.4000 -5.515091 2.799941 
1 1 1   16    5    4 o  160.984   1.5407 3.787064 3.081440 
1 1 1   16    5    5 o  462.773   2.4705 3.445831 4.941002 
1 1 1   16    5    6 o  387.689   2.1166 -0.9320068 4.233240 
1 1 1   16    5    7 o   13.067   4.5467 1.607905 9.093349 
1 1 1   16    5    8 o  382.617   2.1147 -0.8194275 4.229422 
1 1 1   16    5    9 o  447.517   2.4264 -0.8180542 4.852746 
1 1 1   16    5   10 o  375.478   2.1086 2.716553 4.217175 
1 1 1   16    5   11 o  147.028   2.1198 2.171341 4.239551 
1 1 1   16    5   12 o   48.782   5.6129 0.9932022 11.22587 
1 1 1   16    5   13 o  248.732   1.8467 -4.168121 3.693392 
1 1 1   16    5   14 f  548.473   3.8247 -3.198914 7.649299 
1 1 1   16    5   15 o  535.824   3.1476 0.4862671 6.295263 
1 1 1   16    5   16 o  342.491   2.1602 0.3749695 4.320431 
1 1 1   16    5   17 o  109.804   3.5169 -8.703888 7.033759 
1 1 1   16    5   18 o  105.118   4.0592 8.088036 8.118485 
1 1 1   16    5   19 o  146.053   3.1377 -5.448029 6.275398 
1 1 1   16    5   20 o  163.533   2.9925 1.584488 5.985070 
1 1 1   16    5   21 o  204.927   2.8225 -2.689575 5.645060 
1 1 1   16    5   22 o  140.860   3.4751 2.713181 6.950222 
1 1 1   16    5   23 o  212.314   2.5555 -2.530426 5.110932 
1 1 1   16    5   24 f  162.885   3.5942 -6.166534 7.188352 
1 1 1   16    5   25 o  220.219   2.5417 0.9219513 5.083454 
1 1 1   16    5   26 o  164.358   2.9687 4.035614 5.937333 
1 1 1   16    5   27 o   94.012   4.8171 2.437798 9.634193 
1 1 1   16    5   28 o  128.992   3.7971 -3.108574 7.594182 
1 1 1   16    5   29 o  112.145   4.2863 7.733116 8.572546 
1 1 1   16    5   30 o   24.191   7.8965 -2.146259 15.79309 
1 1 1   16    5   31 o   58.716   8.0806 -0.8336792 16.16111 
1 1 1   16    5   32 o   98.613   5.0666 -7.010353 10.13319 
1 1 1   16    5   33 o   29.691   9.0257 -0.9255161 18.05138 
1 1 1   16    5   34 o   63.763   7.6268 -8.296543 15.25367 
1 1 1   16    5   35 o   35.297   8.7513 -11.96369 17.50267 
1 1 1   16    6    0 o  257.512   2.1573 0.000000 0.000000 
1 1 1   16    6    1 o  436.344   2.3317 0.7288818 4.663442 
1 1 1   16    6    2 o  241.316   1.6108 4.876526 3.221504 
1 1 1   16    6    3 o  237.938   1.5990 -2.361176 3.198033 
1 1 1   16    6    4 o  344.154   2.0557 1.335815 4.111417 
1 1 1   16    6    5 o  273.418   1.6352 -4.904419 3.270369 
1 1 1   16    6    6 o  189.950   1.5032 -1.154144 3.006461 
1 1 1   16    6    7 f  383.523   2.1112 -4.846191 4.222399 
1 1 1   16    6    8 o  503.388   2.6939 7.957123 5.387802 
1 1 1   16    6    9 o  396.439   2.1913 1.297394 4.382509 
1 1 1   16    6   10 o  344.312   1.9766 -3.231537 3.953113 
1 1 1   16    6   11 o  475.885   2.5809 -5.054810 5.161791 
1 1 1   16    6   12 o  252.118   1.7892 3.769745 3.578357 
1 1 1   16    6   13 o  499.887   2.7229 2.190186 5.445827 
1 1 1   16    6   14 o  339.439   2.2761 7.307465 4.552123 
1 1 1   16    6   15 o  230.823   2.0345 -3.480392 4.068913 
1 1 1   16    6   16 o  165.770   3.6969 36.80362 7.393890 
1 1 1   16    6   17 o  253.827   2.0576 -2.513535 4.115148 
1 1 1   16    6   18 o  180.613   2.5828 8.534088 5.165600 
1 1 1   16    6   19 o  468.850   2.8925 -4.473419 5.784939 
1 1 1   16    6   20 o  299.569   2.3214 -0.9596252 4.642846 
1 1 1   16    6   21 o  262.367   2.4066 -3.910248 4.813151 
1 1 1   16    6   22 o  174.628   2.9727 -0.1651611 5.945351 
1 1 1   16    6   23 o   54.366   8.4684 25.22015 16.93678 
1 1 1   16    6   24 o  163.217   3.1736 0.2422638 6.347198 
1 1 1   16    6   25 o  107.082   4.3591 2.341385 8.718180 
1 1 1   16    6   26 o   44.355   9.9393 -1.846626 19.87858 
1 1 1   16    6   27 o   88.829   5.1949 -5.406929 10.38987 
1 1 1   16    6   28 x  ?   ?       ?      ? 
1 1 1   16    6   29 o   42.123   9.5929 1.878620 19.18578 
1 1 1   16    6   30 o   99.400   4.6304 3.337334 9.260842 
1 1 1   16    6   31 o   94.598   5.0953 -15.59759 10.19063 
1 1 1   16    6   32 o   43.646   9.4419 10.25773 18.88374 
1 1 1   16    6   33 o  122.587   4.1221 5.228409 8.244171 
1 1 1   16    6   34 o   48.383   8.8989 -21.04675 17.79775 
1 1 1   16    6   35 f   47.314   7.8375 36.30444 15.67492 
1 1 1   16    7    0 o  610.329   4.5509 0.000000 0.000000 
1 1 1   16    7    1 o  350.713   1.9345 -0.4363403 3.868999 
1 1 1   16    7    2 o  484.581   2.5802 2.157501 5.160430 
1 1 1   16    7    3 o  206.152   1.4402 5.110153 2.880466 
1 1 1   16    7    4 o  455.547   2.4412 -1.242004 4.882384 
1 1 1   16    7    5 o  637.475   3.3608 7.419495 6.721579 
1 1 1   16    7    6 o  466.682   2.7084 0.7939453 5.416883 
1 1 1   16    7    7 o  311.718   1.9674 1.839966 3.934733 
1 1 1   16    7    8 o  513.307   2.7472 2.923035 5.494339 
1 1 1   16    7    9 o  158.291   1.7598 -3.020050 3.519501 
1 1 1   16    7   10 o  402.974   2.2365 -1.823547 4.472965 
1 1 1   16    7   11 o  238.416   1.7397 4.381958 3.479394 
1 1 1   16    7   12 o  472.359   2.5844 -1.341278 5.168826 
1 1 1   16    7   13 o  438.443   2.9894 16.50003 5.978777 
1 1 1   16    7   14 o  471.895   2.6129 3.640289 5.225807 
1 1 1   16    7   15 x  ?   ?       ?      ? 
1 1 1   16    7   16 o  173.460   2.7300 -9.377182 5.460093 
1 1 1   16    7   17 o  345.786   2.2159 -3.015991 4.431826 
1 1 1   16    7   18 o  497.251   3.6172 -11.06601 7.234441 
1 1 1   16    7   19 o  122.986   3.8090 3.663589 7.618035 
1 1 1   16    7   20 o  110.022   4.2413 -3.871811 8.482596 
1 1 1   16    7   21 o  308.735   2.4379 -9.984161 4.875773 
1 1 1   16    7   22 o   24.426   8.0356 6.086756 16.07111 
1 1 1   16    7   23 o  114.661   4.0286 4.132080 8.057223 
1 1 1   16    7   24 o   53.435   8.0524 -35.95798 16.10488 
1 1 1   16    7   25 o  127.725   3.7565 -5.287125 7.512960 
1 1 1   16    7   26 o   51.899   8.4947 -17.24026 16.98933 
1 1 1   16    7   27 o   68.162   6.4021 2.714134 12.80423 
1 1 1   16    7   28 o   57.007   9.3934 -33.01515 18.78685 
1 1 1   16    7   29 f   70.946   6.5759 8.171326 13.15178 
1 1 1   16    7   30 o   22.327   7.4513 -4.120586 14.90264 
1 1 1   16    7   31 o   43.526   9.5337 5.429256 19.06743 
1 1 1   16    7   32 o   41.248   9.3029 -16.52927 18.60586 
1 1 1   16    7   33 o   88.308   5.5295 -2.190361 11.05901 
1 1 1   16    7   34 o   34.421   8.9426 -15.34329 17.88513 
1 1 1   16    7   35 o   74.626   5.5077 3.546898 11.01545 
1 1 1   16    8    0 o  760.357   5.6485 0.000000 0.000000 
1 1 1   16    8    1 o  283.092   1.6681 -2.168091 3.336222 
1 1 1   16    8    2 o  357.608   1.9750 3.293182 3.950075 
1 1 1   16    8    3 o  409.488   2.2218 3.237061 4.443687 
1 1 1   16    8    4 o  172.889   1.6799 -1.467773 3.359813 
1 1 1   16    8    5 o  248.901   1.5834 0.4528809E-01 3.166869 
1 1 1   16    8    6 o  366.797   2.1999 0.4265747 4.399756 
1 1 1   16    8    7 o  254.723   1.7839 4.063477 3.567859 
1 1 1   16    8    8 o  442.669   2.4033 0.8493347 4.806597 
1 1 1   16    8    9 o  284.038   1.7663 1.485352 3.532616 
1 1 1   16    8   10 o  200.115   1.7060 -1.712708 3.412085 
1 1 1   16    8   11 o  185.420   1.8684 3.532516 3.736827 
1 1 1   16    8   12 o  633.728   3.3740 1.234253 6.748085 
1 1 1   16    8   13 o  380.478   2.2193 0.2398987 4.438528 
1 1 1   16    8   14 o  331.067   2.1056 -1.727631 4.211113 
1 1 1   16    8   15 o  328.030   2.6002 -8.215790 5.200349 
1 1 1   16    8   16 o  238.193   2.1063 -0.5273895 4.212695 
1 1 1   16    8   17 o   61.311   6.8087 -16.69567 13.61742 
1 1 1   16    8   18 o  402.582   2.5373 -5.398315 5.074645 
1 1 1   16    8   19 o  268.036   2.3519 -2.926453 4.703856 
1 1 1   16    8   20 o  351.118   2.5234 9.648590 5.046893 
1 1 1   16    8   21 o   65.396   7.3431 -3.625175 14.68613 
1 1 1   16    8   22 o  160.787   3.6072 15.41373 7.214490 
1 1 1   16    8   23 o  206.618   2.5763 0.9164429 5.152700 
1 1 1   16    8   24 o   29.617   8.7201 -1.733219 17.44013 
1 1 1   16    8   25 o   85.657   5.4114 -3.757973 10.82274 
1 1 1   16    8   26 f  147.015   3.1658 -5.850784 6.331677 
1 1 1   16    8   27 o   43.492   9.1823 -4.078407 18.36465 
1 1 1   16    8   28 o  105.121   6.9397 -153.5326 13.87931 
1 1 1   16    8   29 o   31.952   9.1609 4.403429 18.32172 
1 1 1   16    8   30 o   62.509   7.5625 -16.92093 15.12505 
1 1 1   16    8   31 o   31.001   8.7964 -12.11056 17.59283 
1 1 1   16    8   32 o   97.607   4.7597 13.39356 9.519383 
1 1 1   16    8   33 o   30.681   9.0887 1.957064 18.17739 
1 1 1   16    8   34 f   79.203   5.3961 -6.878441 10.79211 
1 1 1   16    9    0 o  432.703   3.3060 0.000000 0.000000 
1 1 1   16    9    1 o  535.011   2.8406 -1.007813 5.681118 
1 1 1   16    9    2 o  294.802   1.8775 -0.6241455 3.754987 
1 1 1   16    9    3 o  639.172   3.3715 -3.870361 6.743080 
1 1 1   16    9    4 o  694.864   3.6585 3.607788 7.316956 
1 1 1   16    9    5 o  452.153   2.6371 10.45865 5.274158 
1 1 1   16    9    6 o  139.923   1.7961 -0.1293945E-01 3.592280 
1 1 1   16    9    7 o  163.838   1.6632 0.5453186 3.326454 
1 1 1   16    9    8 o  200.176   1.6415 -4.462845 3.283050 
1 1 1   16    9    9 o  406.237   2.2506 -2.041962 4.501204 
1 1 1   16    9   10 o   46.086   6.0086 -20.12970 12.01723 
1 1 1   16    9   11 o  496.478   2.6976 -5.420593 5.395123 
1 1 1   16    9   12 o  569.728   3.0661 -1.456177 6.132164 
1 1 1   16    9   13 o  164.734   2.2709 -4.854446 4.541859 
1 1 1   16    9   14 o  318.930   2.0953 1.888611 4.190670 
1 1 1   16    9   15 o  211.101   2.1720 -0.3831329 4.344068 
1 1 1   16    9   16 o  163.650   2.5976 3.068893 5.195102 
1 1 1   16    9   17 o  281.106   3.1064 4.020966 6.212711 
1 1 1   16    9   18 f  192.152   2.6551 1.985123 5.310224 
1 1 1   16    9   19 o  388.456   2.4811 0.3643799 4.962131 
1 1 1   16    9   20 o   88.153   5.6198 -21.99983 11.23962 
1 1 1   16    9   21 o   42.522   9.6846 0.3753662 19.36913 
1 1 1   16    9   22 o  204.833   2.7362 -5.343063 5.472403 
1 1 1   16    9   23 o  269.340   2.3979 4.023895 4.795900 
1 1 1   16    9   24 o   72.372   6.0142 17.44018 12.02831 
1 1 1   16    9   25 o  115.883   4.0598 -2.699608 8.119665 
1 1 1   16    9   26 o  103.742   4.3666 -0.2862320 8.733108 
1 1 1   16    9   27 o   24.587   7.9868 2.448013 15.97359 
1 1 1   16    9   28 o   47.090   9.0861 16.76042 18.17218 
1 1 1   16    9   29 o   41.250   8.1661 -32.70951 16.33217 
1 1 1   16    9   30 o   52.604   8.9268 8.434719 17.85352 
1 1 1   16    9   31 o   43.076   9.1769 -12.02322 18.35388 
1 1 1   16    9   32 o   57.305   8.4022 2.209476 16.80436 
1 1 1   16    9   33 o   45.636   9.4965 9.575470 18.99302 
1 1 1   16    9   34 o   81.388   5.2391 -14.83240 10.47816 
1 1 1   16   10    0 x  ?   ?       ?      ? 
1 1 1   16   10    1 o  489.780   2.6193 1.287445 5.238679 
1 1 1   16   10    2 o  339.757   2.5193 22.56223 5.038595 
1 1 1   16   10    3 o  263.616   1.8551 10.85983 3.710284 
1 1 1   16   10    4 o  428.017   2.3261 -1.764954 4.652196 
1 1 1   16   10    5 o  281.049   1.8417 3.496033 3.683326 
1 1 1   16   10    6 o  217.693   1.5976 5.226395 3.195158 
1 1 1   16   10    7 o  221.628   1.7556 5.152161 3.511106 
1 1 1   16   10    8 o  446.259   2.4339 -4.173859 4.867739 
1 1 1   16   10    9 o  841.812   4.4304 1.070679 8.860765 
1 1 1   16   10   10 o  653.550   3.4707 0.3020020 6.941486 
1 1 1   16   10   11 o  348.988   2.2569 -1.516388 4.513785 
1 1 1   16   10   12 o  221.165   2.0315 -8.945633 4.062954 
1 1 1   16   10   13 o  173.242   2.8528 3.540817 5.705563 
1 1 1   16   10   14 o  103.975   3.6255 -2.262901 7.251076 
1 1 1   16   10   15 o  278.431   2.0365 -3.272644 4.073001 
1 1 1   16   10   16 o  190.025   2.4205 0.9046936 4.841073 
1 1 1   16   10   17 o  137.187   3.5808 12.72707 7.161698 
1 1 1   16   10   18 o  210.466   2.5824 9.696381 5.164863 
1 1 1   16   10   19 o  209.150   2.5673 1.196991 5.134590 
1 1 1   16   10   20 o  288.290   2.3164 -5.238678 4.632771 
1 1 1   16   10   21 o  226.850   2.3874 -3.385162 4.774731 
1 1 1   16   10   22 o  152.196   3.1037 -10.16942 6.207420 
1 1 1   16   10   23 o   54.805   8.3233 16.45902 16.64669 
1 1 1   16   10   24 o   68.639   6.3630 -4.415398 12.72602 
1 1 1   16   10   25 o  189.541   2.7470 -5.034378 5.493914 
1 1 1   16   10   26 o   90.237   4.8016 4.222816 9.603230 
1 1 1   16   10   27 o   66.307   7.1368 1.366791 14.27357 
1 1 1   16   10   28 o  133.869   3.4513 9.398514 6.902621 
1 1 1   16   10   29 o   62.024   7.6873 -12.40678 15.37453 
1 1 1   16   10   30 o   41.696   9.5709 8.334843 19.14190 
1 1 1   16   10   31 o   39.070   9.4023 -5.327663 18.80462 
1 1 1   16   10   32 o   52.660   9.0770 15.75002 18.15392 
1 1 1   16   10   33 o   88.046   5.2562 2.919174 10.51236 
1 1 1   16   10   34 o   91.942   4.6752 -13.70288 9.350442 
1 1 1   16   11    0 o   12.852   6.3991 0.000000 0.000000 
1 1 1   16   11    1 o  184.328   1.6364 0.7564240 3.272827 
1 1 1   16   11    2 o  369.134   2.2393 -0.7410278 4.478513 
1 1 1   16   11    3 o  486.369   2.6082 -2.011078 5.216327 
1 1 1   16   11    4 o  483.179   2.5948 -0.9422607 5.189636 
1 1 1   16   11    5 o  167.061   1.6696 1.215591 3.339291 
1 1 1   16   11    6 o  256.540   1.6823 -3.453476 3.364544 
1 1 1   16   11    7 o  123.592   2.0605 -1.536072 4.121058 
1 1 1   16   11    8 o  451.634   2.4667 0.1030273 4.933442 
1 1 1   16   11    9 f  320.348   2.0846 5.988159 4.169156 
1 1 1   16   11   10 o  187.202   2.2940 -10.49565 4.587983 
1 1 1   16   11   11 o  518.008   2.8114 -1.642029 5.622828 
1 1 1   16   11   12 o  293.426   1.9809 -4.468933 3.961863 
1 1 1   16   11   13 o  295.818   2.4832 -15.38364 4.966383 
1 1 1   16   11   14 o  260.815   2.0125 0.1506653 4.024930 
1 1 1   16   11   15 o  424.973   2.4678 1.432373 4.935635 
1 1 1   16   11   16 o   57.924   8.0097 -22.74446 16.01931 
1 1 1   16   11   17 o  324.740   2.3204 5.672058 4.640726 
1 1 1   16   11   18 o  234.942   2.3189 4.678650 4.637712 
1 1 1   16   11   19 o  147.457   3.1922 3.424423 6.384469 
1 1 1   16   11   20 o   89.337   5.1213 -2.030815 10.24267 
1 1 1   16   11   21 o   88.451   5.6671 -2.951248 11.33411 
1 1 1   16   11   22 o   99.675   4.5424 9.743736 9.084765 
1 1 1   16   11   23 o  218.992   2.4227 4.738373 4.845387 
1 1 1   16   11   24 o  298.395   2.2458 -1.007050 4.491569 
1 1 1   16   11   25 o   31.110   8.8573 2.690533 17.71460 
1 1 1   16   11   26 o   89.089   4.8802 5.038193 9.760468 
1 1 1   16   11   27 o   71.837   6.0997 2.721474 12.19939 
1 1 1   16   11   28 o   66.250   6.9157 17.83823 13.83148 
1 1 1   16   11   29 o  109.619   4.1304 -0.5254288 8.260858 
1 1 1   16   11   30 o   76.992   5.8606 3.635643 11.72118 
1 1 1   16   11   31 o   32.451   9.2856 0.1405792 18.57126 
1 1 1   16   11   32 o  118.986   4.0186 5.023262 8.037134 
1 1 1   16   11   33 o  130.098   3.4451 -1.358765 6.890143 
1 1 1   16   11   34 x  ?   ?       ?      ? 
1 1 1   16   12    0 o   10.902   5.6474 0.000000 0.000000 
1 1 1   16   12    1 o  193.254   1.7648 3.881561 3.529531 
1 1 1   16   12    2 o  445.745   2.4172 2.200745 4.834404 
1 1 1   16   12    3 o  442.306   2.3995 0.4682007 4.799090 
1 1 1   16   12    4 o  248.558   1.6660 -4.188828 3.331925 
1 1 1   16   12    5 o   17.976   5.8020 0.5409946 11.60401 
1 1 1   16   12    6 o   76.529   3.2348 -6.641548 6.469600 
1 1 1   16   12    7 o  548.861   2.9415 2.558105 5.883037 
1 1 1   16   12    8 o  251.786   2.6381 10.32246 5.276193 
1 1 1   16   12    9 f   98.103   3.2423 -15.70727 6.484649 
1 1 1   16   12   10 o  233.913   1.8540 3.235306 3.708077 
1 1 1   16   12   11 o  363.217   2.3566 8.534943 4.713296 
1 1 1   16   12   12 o  349.681   2.7564 21.64581 5.512888 
1 1 1   16   12   13 o  414.522   2.3848 0.8217163 4.769542 
1 1 1   16   12   14 o  205.321   2.1267 -3.764603 4.253499 
1 1 1   16   12   15 o  476.282   2.9168 0.2325134 5.833659 
1 1 1   16   12   16 o   79.100   5.4853 1.069374 10.97053 
1 1 1   16   12   17 o  282.778   2.2545 5.335663 4.508937 
1 1 1   16   12   18 o  304.823   2.2951 -5.646149 4.590247 
1 1 1   16   12   19 o   86.318   5.1036 1.513443 10.20719 
1 1 1   16   12   20 o   44.487   9.0581 -1.456047 18.11611 
1 1 1   16   12   21 o  222.580   2.4154 0.2616882 4.830894 
1 1 1   16   12   22 o  233.601   2.5724 -7.736023 5.144802 
1 1 1   16   12   23 o  126.032   3.6182 -4.575478 7.236380 
1 1 1   16   12   24 o  264.776   2.2336 3.134430 4.467203 
1 1 1   16   12   25 f   96.243   4.3071 4.538528 8.614165 
1 1 1   16   12   26 o   89.624   4.9926 -12.46903 9.985147 
1 1 1   16   12   27 o   75.170   5.8496 24.00956 11.69930 
1 1 1   16   12   28 o  110.998   4.0259 13.96548 8.051831 
1 1 1   16   12   29 o  113.838   5.4343 -81.15115 10.86857 
1 1 1   16   12   30 o   69.473   6.3140 1.244385 12.62791 
1 1 1   16   12   31 o  100.492   4.6575 -0.2129974 9.315006 
1 1 1   16   12   32 o   68.038   7.1304 -13.23886 14.26080 
1 1 1   16   12   33 o   30.448   8.5003 6.904280 17.00051 
1 1 1   16   13    0 o  130.851   2.8769 0.000000 0.000000 
1 1 1   16   13    1 o  236.620   1.6497 -1.242157 3.299492 
1 1 1   16   13    2 o  377.000   2.1140 -3.924927 4.227983 
1 1 1   16   13    3 o   53.924   4.6040 -1.587498 9.208025 
1 1 1   16   13    4 o  381.308   2.1444 1.500702 4.288771 
1 1 1   16   13    5 o  373.421   2.1253 2.227509 4.250602 
1 1 1   16   13    6 o  608.821   3.2460 -10.74609 6.492045 
1 1 1   16   13    7 o  454.413   2.8677 -4.995636 5.735383 
1 1 1   16   13    8 o  600.097   3.2084 -0.3995972 6.416855 
1 1 1   16   13    9 o  278.182   1.8867 -0.8285828 3.773312 
1 1 1   16   13   10 o  368.697   2.1682 10.69946 4.336449 
1 1 1   16   13   11 o  149.810   3.0106 13.65732 6.021225 
1 1 1   16   13   12 o  184.614   2.0681 0.2210388 4.136230 
1 1 1   16   13   13 o   25.362   7.2177 18.66160 14.43542 
1 1 1   16   13   14 o  300.512   2.2904 10.65332 4.580873 
1 1 1   16   13   15 o  146.889   3.0656 5.305130 6.131205 
1 1 1   16   13   16 o  127.892   3.3264 8.742676 6.652730 
1 1 1   16   13   17 o   49.155   8.7043 -1.243851 17.40861 
1 1 1   16   13   18 o  121.512   3.6750 -3.993607 7.350023 
1 1 1   16   13   19 o  130.736   3.4803 -2.544968 6.960662 
1 1 1   16   13   20 o   29.301   8.5237 16.74447 17.04739 
1 1 1   16   13   21 o   56.484   7.6807 -3.191063 15.36134 
1 1 1   16   13   22 f  155.901   2.9073 5.939148 5.814519 
1 1 1   16   13   23 o   63.179   6.3623 5.183189 12.72459 
1 1 1   16   13   24 o  105.897   3.9081 7.645103 7.816125 
1 1 1   16   13   25 o   65.964   6.1650 -1.458252 12.33007 
1 1 1   16   13   26 o   32.641   8.9006 13.73248 17.80117 
1 1 1   16   13   27 o   90.359   4.8578 9.102165 9.715634 
1 1 1   16   13   28 o   82.976   5.2579 7.506844 10.51583 
1 1 1   16   13   29 o   23.876   7.6521 11.16555 15.30422 
1 1 1   16   13   30 o  107.027   4.2464 -5.259895 8.492817 
1 1 1   16   13   31 o   28.503   8.5976 14.91067 17.19511 
1 1 1   16   13   32 o   90.769   4.7829 -3.815041 9.565733 
1 1 1   16   13   33 o   49.705   7.8467 -4.464046 15.69338 
1 1 1   16   14    0 o  141.188   3.8740 0.000000 0.000000 
1 1 1   16   14    1 o  396.283   2.2240 -4.279755 4.448069 
1 1 1   16   14    2 o   21.196   6.6283 -8.081335 13.25663 
1 1 1   16   14    3 o  285.231   3.8126      ?      ? 
1 1 1   16   14    4 o  445.070   2.9824 1.080353 5.964782 
1 1 1   16   14    5 o  280.791   2.1194 -5.690125 4.238705 
1 1 1   16   14    6 o  194.457   2.0501 1.415253 4.100125 
1 1 1   16   14    7 o  301.565   1.9463 1.701172 3.892593 
1 1 1   16   14    8 o  153.221   2.2700 -3.287537 4.539950 
1 1 1   16   14    9 o  238.097   4.0444      ?      ? 
1 1 1   16   14   10 o   86.256   3.7918 -13.95957 7.583562 
1 1 1   16   14   11 o  146.093   2.2830 -2.932953 4.565936 
1 1 1   16   14   12 o   70.722   4.5282 9.091980 9.056424 
1 1 1   16   14   13 o  270.703   2.6790 58.81726 5.357947 
1 1 1   16   14   14 o   25.014   7.8104 14.38894 15.62075 
1 1 1   16   14   15 o   37.862   8.6097 -4.889820 17.21940 
1 1 1   16   14   16 o  289.927   2.4731 2.098816 4.946184 
1 1 1   16   14   17 o  146.150   3.0387 -2.440369 6.077432 
1 1 1   16   14   18 o  187.259   2.6237 -6.881195 5.247324 
1 1 1   16   14   19 o   82.485   5.3196 -9.851151 10.63914 
1 1 1   16   14   20 o  109.031   3.9207 -6.831924 7.841422 
1 1 1   16   14   21 o  197.899   2.4213 -3.130142 4.842641 
1 1 1   16   14   22 o  131.588   3.2689 -3.745758 6.537869 
1 1 1   16   14   23 o  182.273   2.5511 -2.674133 5.102185 
1 1 1   16   14   24 o   30.911   8.6421 6.705854 17.28426 
1 1 1   16   14   25 o   73.662   5.9959 4.340607 11.99180 
1 1 1   16   14   26 o  124.757   3.8780 -4.559212 7.756004 
1 1 1   16   14   27 o  139.141   3.3142 3.023041 6.628320 
1 1 1   16   14   28 o   79.839   5.8543 -11.71839 11.70867 
1 1 1   16   14   29 o   83.322   5.3398 7.301308 10.67968 
1 1 1   16   14   30 f   68.775   7.1311 17.41046 14.26225 
1 1 1   16   14   31 o   72.910   6.2481 5.100052 12.49617 
1 1 1   16   14   32 o   47.958   8.3324 -3.780602 16.66488 
1 1 1   16   15    0 o  160.644   3.9243 0.000000 0.000000 
1 1 1   16   15    1 o  219.132   1.9438 6.021317 3.887537 
1 1 1   16   15    2 o  132.402   2.4582 -3.176270 4.916463 
1 1 1   16   15    3 o  480.375   2.6232 -6.402313 5.246365 
1 1 1   16   15    4 o  353.121   2.0968 -2.933411 4.193666 
1 1 1   16   15    5 o  351.754   2.1012 -5.968292 4.202402 
1 1 1   16   15    6 o  325.884   2.0291 4.321747 4.058191 
1 1 1   16   15    7 o  611.096   3.7851 14.92639 7.570200 
1 1 1   16   15    8 o   77.538   4.2638 2.246429 8.527510 
1 1 1   16   15    9 o  246.406   1.8999 -3.178757 3.799709 
1 1 1   16   15   10 o  151.992   2.1985 -5.088394 4.397029 
1 1 1   16   15   11 o  321.590   2.1798 0.7922363E-01 4.359685 
1 1 1   16   15   12 o  324.508   2.2088 2.053802 4.417657 
1 1 1   16   15   13 o  218.449   2.3016 3.267639 4.603254 
1 1 1   16   15   14 o  137.323   2.9579 7.143723 5.915735 
1 1 1   16   15   15 o  206.551   2.3001 -2.952087 4.600146 
1 1 1   16   15   16 o  127.005   3.3779 8.832764 6.755836 
1 1 1   16   15   17 o  179.000   2.5497 1.627518 5.099303 
1 1 1   16   15   18 o  112.348   3.8071 -5.681015 7.614115 
1 1 1   16   15   19 o  238.840   2.3459 -1.966293 4.691773 
1 1 1   16   15   20 o   68.986   6.0752 -8.018127 12.15033 
1 1 1   16   15   21 o   92.681   4.3994 -9.792816 8.798719 
1 1 1   16   15   22 o   26.244   8.0601 4.761383 16.12014 
1 1 1   16   15   23 f  102.019   3.9564 9.026833 7.912707 
1 1 1   16   15   24 o   23.484   7.5698 2.346058 15.13955 
1 1 1   16   15   25 o   39.921   8.8796 6.421890 17.75915 
1 1 1   16   15   26 f   29.068   8.1150 -8.794773 16.23001 
1 1 1   16   15   27 o   25.984   8.0190 8.174641 16.03795 
1 1 1   16   15   28 o  119.557   3.7641 3.140556 7.528164 
1 1 1   16   15   29 o  123.296   4.5952 2.909973 9.190437 
1 1 1   16   15   30 o   70.556   6.9272 -20.26897 13.85431 
1 1 1   16   15   31 o   30.481   8.7539 5.240467 17.50787 
1 1 1   16   15   32 o   36.786   9.0877 -5.199783 18.17532 
1 1 1   16   16    0 o  214.755   3.0262 0.000000 0.000000 
1 1 1   16   16    1 o  457.022   2.5372 -5.736938 5.074376 
1 1 1   16   16    2 o  239.030   2.0290 3.575912 4.058058 
1 1 1   16   16    3 o  265.778   1.9225 -3.061920 3.844939 
1 1 1   16   16    4 o  205.551   2.1542 -15.35306 4.308473 
1 1 1   16   16    5 o  152.053   3.7818 79.12740 7.563632 
1 1 1   16   16    6 x  ?   ?       ?      ? 
1 1 1   16   16    7 o  432.724   2.4515 -11.28009 4.903067 
1 1 1   16   16    8 o  166.783   2.1233 1.330856 4.246500 
1 1 1   16   16    9 o  152.164   2.2675 -17.89316 4.534983 
1 1 1   16   16   10 o  304.560   3.8324      ?      ? 
1 1 1   16   16   11 o  231.402   1.9489 -1.625580 3.897805 
1 1 1   16   16   12 o   55.250   7.5285 -16.45869 15.05701 
1 1 1   16   16   13 o  216.552   2.1866 4.342010 4.373120 
1 1 1   16   16   14 o  173.003   2.5195 5.887955 5.038920 
1 1 1   16   16   15 o  173.789   2.5121 12.87090 5.024117 
1 1 1   16   16   16 o  208.189   2.2643 -6.033325 4.528510 
1 1 1   16   16   17 o   48.421   8.1530 27.31557 16.30597 
1 1 1   16   16   18 o   24.044   7.4975 -4.651146 14.99498 
1 1 1   16   16   19 o  204.659   2.3219 8.474335 4.643797 
1 1 1   16   16   20 o   29.159   8.4269 8.160858 16.85376 
1 1 1   16   16   21 o   33.853   8.9782 11.06402 17.95633 
1 1 1   16   16   22 o  207.118   2.3172 5.564545 4.634310 
1 1 1   16   16   23 o  156.177   2.6469 0.5622406 5.293818 
1 1 1   16   16   24 o   50.323   7.6858 -21.21809 15.37152 
1 1 1   16   16   25 o   25.986   8.0121 -4.847273 16.02430 
1 1 1   16   16   26 o   80.033   5.0401 6.289520 10.08017 
1 1 1   16   16   27 o  134.031   4.4526 -0.5000610 8.905232 
1 1 1   16   16   28 o   29.093   8.6339 9.747229 17.26770 
1 1 1   16   16   29 o   41.150   9.3224 4.169559 18.64486 
1 1 1   16   16   30 o   32.746   8.2249 24.00886 16.44975 
1 1 1   16   16   31 o   27.998   8.2111 -4.374342 16.42218 
1 1 1   16   17    0 o  304.823   2.8792 0.000000 0.000000 
1 1 1   16   17    1 o   85.142   4.5331 20.88650 9.066284 
1 1 1   16   17    2 o  312.838   2.0208 -0.2477112 4.041499 
1 1 1   16   17    3 o  292.310   1.9687 -3.818085 3.937385 
1 1 1   16   17    4 o  456.089   2.5350 -7.112152 5.069940 
1 1 1   16   17    5 o  128.843   2.4932 -16.80840 4.986343 
1 1 1   16   17    6 o  386.121   2.2399 -3.255219 4.479808 
1 1 1   16   17    7 o   73.419   4.4098 -17.15274 8.819584 
1 1 1   16   17    8 o  190.445   2.4725 -2.297241 4.945056 
1 1 1   16   17    9 o   87.675   4.6133 -15.99071 9.226543 
1 1 1   16   17   10 o  124.740   4.0082 -22.49178 8.016423 
1 1 1   16   17   11 o  160.088   3.0856 1.039063 6.171176 
1 1 1   16   17   12 o  349.592   2.2947 2.760468 4.589365 
1 1 1   16   17   13 o  339.757   2.2790 7.206207 4.557964 
1 1 1   16   17   14 o  276.874   2.1798 0.8922729 4.359653 
1 1 1   16   17   15 o  266.062   2.1743 4.242554 4.348503 
1 1 1   16   17   16 o  125.175   3.8141 -9.452110 7.628216 
1 1 1   16   17   17 o  142.413   2.8183 1.361679 5.636549 
1 1 1   16   17   18 o  280.232   2.2155 4.449707 4.431011 
1 1 1   16   17   19 o   40.232   8.7775 11.19756 17.55492 
1 1 1   16   17   20 o   70.593   5.8995 -19.58239 11.79891 
1 1 1   16   17   21 o  102.613   3.7103 -0.6005936 7.420599 
1 1 1   16   17   22 o   62.885   5.8852 8.372211 11.77038 
1 1 1   16   17   23 o  219.345   2.5900 -2.637848 5.179954 
1 1 1   16   17   24 o   27.284   8.1706 13.00867 16.34130 
1 1 1   16   17   25 o   94.622   5.5710 11.68878 11.14209 
1 1 1   16   17   26 o   62.469   6.5666 23.28423 13.13324 
1 1 1   16   17   27 o  111.574   3.7121 6.396950 7.424219 
1 1 1   16   17   28 o   99.114   4.6965 8.135811 9.393062 
1 1 1   16   17   29 o   65.890   6.7107 16.95554 13.42133 
1 1 1   16   17   30 o   40.371   9.0428 5.454159 18.08562 
1 1 1   16   17   31 o   60.382   6.1299 7.391140 12.25983 
1 1 1   16   18    0 o   89.777   5.4479 0.000000 0.000000 
1 1 1   16   18    1 o  239.354   1.9667 -1.854218 3.933495 
1 1 1   16   18    2 o   54.656   6.2807 4.432980 12.56149 
1 1 1   16   18    3 o  118.059   3.2642 1.765999 6.528401 
1 1 1   16   18    4 o  334.247   2.2981 7.074127 4.596145 
1 1 1   16   18    5 o  158.434   2.3300 4.926086 4.660040 
1 1 1   16   18    6 o  133.110   2.9410 13.45402 5.881901 
1 1 1   16   18    7 o  203.087   2.1296 -5.190659 4.259141 
1 1 1   16   18    8 o  174.861   2.8723 -0.8877563E-01 5.744691 
1 1 1   16   18    9 o  199.118   2.6735 0.1608276 5.347077 
1 1 1   16   18   10 o  306.571   2.4688 -3.117126 4.937604 
1 1 1   16   18   11 o  184.759   2.8412 -1.638245 5.682400 
1 1 1   16   18   12 o  328.435   2.5348 2.151978 5.069577 
1 1 1   16   18   13 o  194.017   2.8935 -3.532135 5.786965 
1 1 1   16   18   14 o  142.648   3.4350 -2.361649 6.869915 
1 1 1   16   18   15 o  132.050   3.0801 3.075439 6.160200 
1 1 1   16   18   16 o  285.814   2.1917 0.7546997E-01 4.383469 
1 1 1   16   18   17 o  239.905   2.1719 8.075394 4.343798 
1 1 1   16   18   18 o   17.663   6.1396 5.957914 12.27911 
1 1 1   16   18   19 o  155.213   2.6855 5.614380 5.370958 
1 1 1   16   18   20 o  153.760   2.7374 -0.2626953 5.474843 
1 1 1   16   18   21 f   73.159   4.8931 6.289345 9.786174 
1 1 1   16   18   22 o   24.265   7.5831 8.238382 15.16610 
1 1 1   16   18   23 o   55.983   8.6630 -9.956860 17.32597 
1 1 1   16   18   24 o  129.585   3.0878 -5.904961 6.175686 
1 1 1   16   18   25 o   49.412   7.9074 -1.446194 15.81474 
1 1 1   16   18   26 o   71.604   5.6515 -10.61501 11.30303 
1 1 1   16   18   27 o   30.564   8.4040 -11.53913 16.80809 
1 1 1   16   18   28 o   55.852   7.6149 -3.855755 15.22981 
1 1 1   16   18   29 o   49.105   8.5411 -3.278179 17.08229 
1 1 1   16   18   30 o   86.846   4.7089 -19.68158 9.417875 
1 1 1   16   19    0 f  100.180   6.6459 0.000000 0.000000 
1 1 1   16   19    1 o  302.975   2.1793 -3.006378 4.358667 
1 1 1   16   19    2 o  140.471   2.6053 -3.799835 5.210597 
1 1 1   16   19    3 o  240.246   2.0698 -0.7148743E-01 4.139534 
1 1 1   16   19    4 o  307.342   2.0318 -5.301117 4.063621 
1 1 1   16   19    5 o   27.710   7.8181 0.8266029 15.63614 
1 1 1   16   19    6 o  256.402   2.2072 -5.596527 4.414424 
1 1 1   16   19    7 o  291.401   2.4151 1.167847 4.830243 
1 1 1   16   19    8 o  104.651   4.5159 9.387505 9.031761 
1 1 1   16   19    9 o  257.142   2.4668 1.299377 4.933541 
1 1 1   16   19   10 o  234.059   2.5149 1.168793 5.029757 
1 1 1   16   19   11 o   42.820   8.8831 24.45201 17.76616 
1 1 1   16   19   12 o  118.071   3.9175 -11.18664 7.834973 
1 1 1   16   19   13 o   78.479   5.8014 8.742638 11.60280 
1 1 1   16   19   14 o  156.991   3.1613 1.177322 6.322640 
1 1 1   16   19   15 o  205.722   2.6610 8.870071 5.321967 
1 1 1   16   19   16 o  144.098   3.4377 -9.120193 6.875356 
1 1 1   16   19   17 o  114.243   3.2145 11.35507 6.429015 
1 1 1   16   19   18 o   66.539   5.1986 28.06930 10.39727 
1 1 1   16   19   19 o   81.352   4.5314 -17.43753 9.062722 
1 1 1   16   19   20 o   78.649   4.5703 2.153809 9.140643 
1 1 1   16   19   21 x  ?   ?       ?      ? 
1 1 1   16   19   22 o   44.843   8.1203 5.925732 16.24066 
1 1 1   16   19   23 o   42.114   8.3125 13.71916 16.62499 
1 1 1   16   19   24 o   41.410   8.3050 18.95395 16.60997 
1 1 1   16   19   25 o   73.083   5.3017 3.367882 10.60347 
1 1 1   16   19   26 o   85.694   4.7086 6.368919 9.417293 
1 1 1   16   19   27 o   33.002   9.3141 4.773466 18.62814 
1 1 1   16   19   28 f   55.355   8.0159 20.59489 16.03175 
1 1 1   16   19   29 o   25.734   8.0101 -1.599575 16.02020 
1 1 1   16   19   30 x  ?   ?       ?      ? 
1 1 1   16   20    0 o  100.608   5.0033 0.000000 0.000000 
1 1 1   16   20    1 o  404.663   2.3467 1.978333 4.693359 
1 1 1   16   20    2 o  179.875   2.2429 -0.8978119 4.485884 
1 1 1   16   20    3 o  263.559   2.2432 -1.164520 4.486432 
1 1 1   16   20    4 o   37.162   7.9921 -12.05667 15.98430 
1 1 1   16   20    5 o  269.718   1.9745 1.421692 3.949016 
1 1 1   16   20    6 o  267.312   1.9796 2.981171 3.959215 
1 1 1   16   20    7 o  181.047   2.8079 -2.978134 5.615729 
1 1 1   16   20    8 o  150.573   3.2402 3.635712 6.480337 
1 1 1   16   20    9 o  161.668   2.8980 2.831757 5.795985 
1 1 1   16   20   10 o  116.293   3.9197 -3.050102 7.839368 
1 1 1   16   20   11 o  159.040   3.1046 1.732330 6.209244 
1 1 1   16   20   12 o  126.970   3.6914 -0.3856049 7.382724 
1 1 1   16   20   13 o  142.853   3.2589 2.537415 6.517900 
1 1 1   16   20   14 o  113.172   4.1518 -1.961395 8.303616 
1 1 1   16   20   15 o   69.247   6.1349 -14.44885 12.26989 
1 1 1   16   20   16 o  123.990   3.5796 -7.450920 7.159134 
1 1 1   16   20   17 o  121.978   3.7466 18.39957 7.493193 
1 1 1   16   20   18 o  151.556   2.5652 6.672150 5.130437 
1 1 1   16   20   19 o   20.572   7.2244 9.922082 14.44870 
1 1 1   16   20   20 o   65.456   6.5300 -31.83494 13.06009 
1 1 1   16   20   21 o   69.810   5.1132 2.947197 10.22643 
1 1 1   16   20   22 o   47.982   7.6872 14.65453 15.37439 
1 1 1   16   20   23 o   87.630   4.4915 7.731285 8.982975 
1 1 1   16   20   24 o   51.366   7.8755 -7.016373 15.75091 
1 1 1   16   20   25 o   62.240   7.0937 -15.61140 14.18743 
1 1 1   16   20   26 f   30.604   8.6899 7.342825 17.37978 
1 1 1   16   20   27 o   48.197   8.6722 1.297325 17.34432 
1 1 1   16   20   28 o   64.115   6.4913 4.531139 12.98260 
1 1 1   16   20   29 o   84.839   4.9015 4.391373 9.802943 
1 1 1   16   21    0 o  130.874   4.7791 0.000000 0.000000 
1 1 1   16   21    1 o  129.556   3.8625 28.50425 7.724934 
1 1 1   16   21    2 o  188.221   2.3427 -1.293747 4.685471 
1 1 1   16   21    3 o  108.907   3.2398 2.138138 6.479575 
1 1 1   16   21    4 o  158.828   2.3811 -3.496704 4.762118 
1 1 1   16   21    5 o   80.812   4.3686 14.37791 8.737157 
1 1 1   16   21    6 o  230.181   2.5086 6.092743 5.017294 
1 1 1   16   21    7 o  216.002   2.5977 -1.943741 5.195390 
1 1 1   16   21    8 o  204.478   2.6215 -4.378632 5.243068 
1 1 1   16   21    9 o   74.426   6.2515 3.943207 12.50309 
1 1 1   16   21   10 o  278.850   2.5130 -0.1683960 5.026072 
1 1 1   16   21   11 o  169.358   2.9465 -2.868958 5.892986 
1 1 1   16   21   12 o   77.760   5.9840 -1.370392 11.96808 
1 1 1   16   21   13 o  214.614   2.6022 -7.394180 5.204349 
1 1 1   16   21   14 o  133.784   3.4031 1.317871 6.806180 
1 1 1   16   21   15 o   92.411   4.7847 -0.7598190 9.569313 
1 1 1   16   21   16 o  173.427   2.6945 4.770981 5.388962 
1 1 1   16   21   17 o  115.386   4.7769 -10.28912 9.553849 
1 1 1   16   21   18 o   30.321   8.3875 13.33151 16.77501 
1 1 1   16   21   19 o   73.719   6.8907 -15.10002 13.78131 
1 1 1   16   21   20 o  118.332   3.2632 -5.011703 6.526484 
1 1 1   16   21   21 o   35.511   8.2827 1.248486 16.56532 
1 1 1   16   21   22 o   36.057   8.1030 -6.369156 16.20592 
1 1 1   16   21   23 o   97.407   3.8639 -12.78452 7.727870 
1 1 1   16   21   24 o   69.862   5.2137 11.36975 10.42731 
1 1 1   16   21   25 o   59.048   7.0561 -16.55634 14.11211 
1 1 1   16   21   26 o   81.038   4.8722 9.487396 9.744467 
1 1 1   16   21   27 o   74.286   5.4279 0.3123016 10.85584 
1 1 1   16   21   28 o  102.926   3.9228 18.82676 7.845667 
1 1 1   16   22    0 o   22.307   10.128 0.000000 0.000000 
1 1 1   16   22    1 o  149.516   2.5752 8.417252 5.150456 
1 1 1   16   22    2 o  110.741   3.2752 -1.210129 6.550320 
1 1 1   16   22    3 o  150.898   2.4933 -3.120972 4.986662 
1 1 1   16   22    4 o   70.392   4.8407 -7.982018 9.681486 
1 1 1   16   22    5 o  345.306   2.1639 -0.6860352E-01 4.327834 
1 1 1   16   22    6 f   98.439   4.6489 5.041512 9.297747 
1 1 1   16   22    7 o  141.652   3.3182 4.425339 6.636349 
1 1 1   16   22    8 o   93.121   4.7536 15.88654 9.507257 
1 1 1   16   22    9 o  313.880   2.4759 4.808655 4.951878 
1 1 1   16   22   10 o   85.488   5.3189 -3.169930 10.63786 
1 1 1   16   22   11 o  202.038   2.5331 -2.859619 5.066270 
1 1 1   16   22   12 o   25.827   8.1197 7.739550 16.23946 
1 1 1   16   22   13 o  138.593   3.2602 -7.214386 6.520383 
1 1 1   16   22   14 o  128.388   3.3893 -2.234146 6.778546 
1 1 1   16   22   15 o  121.497   4.6204 -4.416367 9.240817 
1 1 1   16   22   16 o  162.087   2.9793 -4.228134 5.958609 
1 1 1   16   22   17 o   39.855   8.8407 -18.83082 17.68143 
1 1 1   16   22   18 o  156.070   3.7168 21.00996 7.433551 
1 1 1   16   22   19 o  201.414   2.6425 3.374741 5.285088 
1 1 1   16   22   20 o   30.278   8.2380 -25.15935 16.47595 
1 1 1   16   22   21 o  145.834   2.6533 3.174042 5.306566 
1 1 1   16   22   22 o  120.324   3.9220 -11.82080 7.843922 
1 1 1   16   22   23 o   83.721   4.6994 -7.573654 9.398734 
1 1 1   16   22   24 o   86.107   4.3054 6.916298 8.610827 
1 1 1   16   22   25 o   67.748   5.8489 -6.152206 11.69777 
1 1 1   16   22   26 o   36.495   8.6689 1.182518 17.33788 
1 1 1   16   22   27 o   40.462   8.1203 -14.71328 16.24057 
1 1 1   16   23    0 o  101.680   5.2888 0.000000 0.000000 
1 1 1   16   23    1 o   77.461   4.7289 -7.809547 9.457871 
1 1 1   16   23    2 o  217.994   2.0655 -4.911392 4.131018 
1 1 1   16   23    3 o  141.870   2.7269 13.89322 5.453860 
1 1 1   16   23    4 o  169.743   2.3146 -3.798721 4.629187 
1 1 1   16   23    5 o   63.864   5.2722 -2.390713 10.54436 
1 1 1   16   23    6 o   50.475   9.4331 11.17999 18.86613 
1 1 1   16   23    7 o  101.351   4.4374 -6.361832 8.874726 
1 1 1   16   23    8 o   91.914   4.8687 -12.56245 9.737386 
1 1 1   16   23    9 o   33.800   8.7312 -17.86066 17.46242 
1 1 1   16   23   10 o  231.141   2.4138 0.6248169 4.827622 
1 1 1   16   23   11 o  125.409   3.5538 7.019119 7.107578 
1 1 1   16   23   12 o  128.720   3.4605 4.985970 6.921049 
1 1 1   16   23   13 f  121.076   3.6240 -16.02437 7.247946 
1 1 1   16   23   14 o  168.945   2.8060 3.430405 5.612042 
1 1 1   16   23   15 o   57.739   7.2315 9.037128 14.46294 
1 1 1   16   23   16 o   27.964   8.2726 12.72049 16.54520 
1 1 1   16   23   17 o  176.001   2.8271 -0.5135040 5.654165 
1 1 1   16   23   18 o   24.525   7.9601 0.6564693 15.92013 
1 1 1   16   23   19 o   55.265   8.2119 -19.35905 16.42375 
1 1 1   16   23   20 o   98.461   4.5289 1.214447 9.057714 
1 1 1   16   23   21 f   94.194   5.8126 -8.996971 11.62513 
1 1 1   16   23   22 o  221.849   2.1863 3.559219 4.372697 
1 1 1   16   23   23 o   26.073   7.8774 5.152597 15.75489 
1 1 1   16   23   24 o  147.074   2.8552 5.340103 5.710392 
1 1 1   16   23   25 o   75.129   5.5669 -4.177406 11.13374 
1 1 1   16   23   26 o   41.729   8.5040 6.280235 17.00806 
1 1 1   16   24    0 o  112.529   4.7894 0.000000 0.000000 
1 1 1   16   24    1 o  303.003   2.0768 3.329437 4.153632 
1 1 1   16   24    2 o   68.280   5.3222 -17.31953 10.64449 
1 1 1   16   24    3 o  327.353   2.1083 -4.162018 4.216566 
1 1 1   16   24    4 o   83.609   4.2036 -1.989952 8.407148 
1 1 1   16   24    5 o  237.840   2.1232 3.681473 4.246451 
1 1 1   16   24    6 o  121.556   3.5936 -9.922546 7.187146 
1 1 1   16   24    7 o  173.820   2.7213 1.857941 5.442626 
1 1 1   16   24    8 o   64.593   6.2199 2.704193 12.43988 
1 1 1   16   24    9 o   26.772   7.9346 -11.95386 15.86918 
1 1 1   16   24   10 o   68.271   5.9045 -7.151749 11.80897 
1 1 1   16   24   11 o   84.108   5.0675 -7.939957 10.13503 
1 1 1   16   24   12 o  110.509   3.8114 -5.090858 7.622771 
1 1 1   16   24   13 o   27.243   8.2657 4.236820 16.53133 
1 1 1   16   24   14 o  145.215   3.2718 1.304260 6.543634 
1 1 1   16   24   15 o   46.518   9.0586 -15.58666 18.11711 
1 1 1   16   24   16 o  160.830   3.0026 2.069122 6.005122 
1 1 1   16   24   17 o   71.590   6.0726 -3.583191 12.14522 
1 1 1   16   24   18 o  104.103   4.0752 -0.9692917 8.150427 
1 1 1   16   24   19 o   84.676   5.2664 5.562378 10.53275 
1 1 1   16   24   20 o   93.798   4.7259 4.658714 9.451779 
1 1 1   16   24   21 o  132.857   3.5169 2.217331 7.033748 
1 1 1   16   24   22 o   46.473   9.3133 7.176956 18.62651 
1 1 1   16   24   23 o   91.060   4.0221 -2.093155 8.044168 
1 1 1   16   24   24 o   26.023   8.0000 4.771591 16.00007 
1 1 1   16   24   25 o   86.812   4.5465 25.76328 9.092926 
1 1 1   16   25    0 o   20.877   9.3524 0.000000 0.000000 
1 1 1   16   25    1 o   22.005   7.1033 -1.895960 14.20656 
1 1 1   16   25    2 o   16.112   5.6489 -0.1053562 11.29773 
1 1 1   16   25    3 o  110.667   3.1319 -1.057747 6.263828 
1 1 1   16   25    4 o  149.666   2.3378 -3.201752 4.675653 
1 1 1   16   25    5 o   46.295   6.9177 -29.43445 13.83545 
1 1 1   16   25    6 o  123.356   3.4339 4.565254 6.867806 
1 1 1   16   25    7 o   34.162   8.0562 -22.12405 16.11233 
1 1 1   16   25    8 o  129.317   3.4542 -5.866280 6.908444 
1 1 1   16   25    9 o  108.371   4.0131 -11.62902 8.026228 
1 1 1   16   25   10 o   53.454   7.7870 27.77092 15.57395 
1 1 1   16   25   11 o   58.740   7.4554 -12.30873 14.91088 
1 1 1   16   25   12 o   31.435   8.8234 -5.393536 17.64687 
1 1 1   16   25   13 o  208.130   2.6077 1.059967 5.215482 
1 1 1   16   25   14 o   28.027   8.4056 6.467396 16.81114 
1 1 1   16   25   15 o   58.547   7.7403 -14.93084 15.48051 
1 1 1   16   25   16 o   51.811   8.2714 -4.137589 16.54270 
1 1 1   16   25   17 o   41.216   9.3726 -2.913860 18.74529 
1 1 1   16   25   18 o   84.809   5.5753 37.59731 11.15061 
1 1 1   16   25   19 o   63.678   6.5587 -7.490780 13.11730 
1 1 1   16   25   20 o  104.529   4.3314 2.850052 8.662873 
1 1 1   16   25   21 o   29.876   8.9958 2.273340 17.99153 
1 1 1   16   25   22 o   40.956   9.8342 0.4180908 19.66847 
1 1 1   16   25   23 o   43.666   9.7967 19.09413 19.59342 
1 1 1   16   25   24 o   45.875   9.4976 15.59254 18.99524 
1 1 1   16   26    0 o   51.727   11.588 0.000000 0.000000 
1 1 1   16   26    1 o  142.843   2.6460 2.028870 5.291989 
1 1 1   16   26    2 o   99.205   3.5025 -11.95359 7.005076 
1 1 1   16   26    3 o   39.421   7.5354 3.943275 15.07082 
1 1 1   16   26    4 o   72.122   4.6864 7.442390 9.372894 
1 1 1   16   26    5 o  114.980   4.0323 -1.867142 8.064669 
1 1 1   16   26    6 o  117.273   3.7525 0.7745895 7.505097 
1 1 1   16   26    7 o  103.982   4.0591 -4.169060 8.118265 
1 1 1   16   26    8 o  117.499   3.6539 1.952698 7.307717 
1 1 1   16   26    9 o  147.952   2.9332 -1.229767 5.866387 
1 1 1   16   26   10 o   22.075   7.3037 -4.876448 14.60737 
1 1 1   16   26   11 o  125.532   4.4757 60.00469 8.951466 
1 1 1   16   26   12 o  129.486   3.9839 4.073929 7.967763 
1 1 1   16   26   13 o   78.417   5.7027 5.755928 11.40539 
1 1 1   16   26   14 o  167.057   2.8709 -1.211578 5.741825 
1 1 1   16   26   15 o   51.919   8.1898 -9.472099 16.37969 
1 1 1   16   26   16 o   75.987   5.5202 -6.307549 11.04031 
1 1 1   16   26   17 o   26.636   8.1776 -2.164442 16.35517 
1 1 1   16   26   18 o   52.781   8.1522 27.12003 16.30434 
1 1 1   16   26   19 o   36.833   8.7895 -24.24568 17.57895 
1 1 1   16   26   20 o   26.382   8.3429 -1.904743 16.68587 
1 1 1   16   26   21 o   25.090   8.1205 -6.099327 16.24100 
1 1 1   16   26   22 o   36.542   9.7615 4.395733 19.52295 
1 1 1   16   26   23 o   25.839   8.2531 4.455727 16.50622 
1 1 1   16   27    0 o   81.712   6.5343 0.000000 0.000000 
1 1 1   16   27    1 o   55.687   6.3537 8.844322 12.70749 
1 1 1   16   27    2 o   29.974   7.9031 0.1830978 15.80628 
1 1 1   16   27    3 o   51.599   6.5827 -2.186558 13.16544 
1 1 1   16   27    4 o   24.414   7.5116 -10.11251 15.02324 
1 1 1   16   27    5 x  ?   ?       ?      ? 
1 1 1   16   27    6 o   41.047   8.7395 15.70440 17.47902 
1 1 1   16   27    7 o   21.293   7.0869 -6.075220 14.17373 
1 1 1   16   27    8 o   68.182   7.1222 7.193947 14.24442 
1 1 1   16   27    9 o   84.017   7.0518 82.11481 14.10354 
1 1 1   16   27   10 o   23.415   7.9070 -1.999475 15.81392 
1 1 1   16   27   11 o  138.246   3.2453 -15.10359 6.490506 
1 1 1   16   27   12 o  144.500   3.1978 -0.9179688E-01 6.395597 
1 1 1   16   27   13 o   56.060   7.3717 11.63623 14.74346 
1 1 1   16   27   14 o  120.542   3.5617 -4.064407 7.123307 
1 1 1   16   27   15 o   32.766   8.3143 17.68777 16.62857 
1 1 1   16   27   16 o   40.722   9.3373 -0.1921883 18.67467 
1 1 1   16   27   17 o   42.896   9.8757 -2.126907 19.75135 
1 1 1   16   27   18 o   43.341   8.6709 -24.12785 17.34177 
1 1 1   16   27   19 o   21.914   7.4318 -1.477098 14.86352 
1 1 1   16   27   20 o   64.873   7.9925 -17.47399 15.98494 
1 1 1   16   27   21 o   40.947   9.6207 -9.434795 19.24139 
1 1 1   16   27   22 o   26.671   8.4355 9.041744 16.87108 
1 1 1   16   28    0 o  112.520   4.6631 0.000000 0.000000 
1 1 1   16   28    1 o   86.843   3.8767 1.127388 7.753416 
1 1 1   16   28    2 o   68.823   5.8165 10.85592 11.63294 
1 1 1   16   28    3 f   94.476   3.9987 -1.621025 7.997307 
1 1 1   16   28    4 o  161.163   2.8321 14.44012 5.664194 
1 1 1   16   28    5 o  167.739   2.7025 11.33655 5.405088 
1 1 1   16   28    6 o   76.864   5.3944 -0.5925064 10.78871 
1 1 1   16   28    7 o   58.405   7.5900 -24.58974 15.18001 
1 1 1   16   28    8 o   84.628   6.1060 -0.6242905 12.21201 
1 1 1   16   28    9 o   81.854   5.1228 -1.396263 10.24562 
1 1 1   16   28   10 o   34.213   9.0594 0.9353294 18.11879 
1 1 1   16   28   11 o  103.099   4.0136 2.607483 8.027269 
1 1 1   16   28   12 o   82.423   5.1261 -13.11142 10.25213 
1 1 1   16   28   13 o   30.775   8.7080 17.70839 17.41591 
1 1 1   16   28   14 o   36.975   9.1278 -6.851761 18.25558 
1 1 1   16   28   15 o   69.393   6.7748 19.82716 13.54961 
1 1 1   16   28   16 o   54.984   8.1119 -15.73847 16.22371 
1 1 1   16   28   17 o   43.356   9.4155 -10.73896 18.83106 
1 1 1   16   28   18 o   40.488   9.4373 10.69333 18.87451 
1 1 1   16   28   19 o   58.080   8.2542 3.048473 16.50849 
1 1 1   16   28   20 f   49.229   9.1568 -1.100780 18.31357 
1 1 1   16   28   21 o   38.886   9.9547 -3.153355 19.90941 
1 1 1   16   29    0 o   38.885   12.374 0.000000 0.000000 
1 1 1   16   29    1 o   62.882   4.8653 3.235031 9.730575 
1 1 1   16   29    2 f   95.267   3.5036 -10.21358 7.007241 
1 1 1   16   29    3 f   75.354   4.5814 3.290901 9.162791 
1 1 1   16   29    4 o   24.673   7.4748 -7.750547 14.94963 
1 1 1   16   29    5 o   25.916   7.7421 -5.915794 15.48419 
1 1 1   16   29    6 f   77.494   7.0605 18.88280 14.12092 
1 1 1   16   29    7 o   74.337   5.6086 5.228798 11.21723 
1 1 1   16   29    8 o   62.020   7.0553 -23.35228 14.11059 
1 1 1   16   29    9 o  114.388   3.6978 0.3338547 7.395554 
1 1 1   16   29   10 o  166.240   2.8363 7.181030 5.672692 
1 1 1   16   29   11 o   69.256   5.9811 4.932243 11.96220 
1 1 1   16   29   12 o   89.737   4.8512 6.113243 9.702476 
1 1 1   16   29   13 o   70.598   6.2814 9.556465 12.56280 
1 1 1   16   29   14 o   87.165   5.1059 7.341087 10.21186 
1 1 1   16   29   15 o   75.691   5.9853 6.320839 11.97056 
1 1 1   16   29   16 o   36.885   9.4235 -2.462036 18.84690 
1 1 1   16   29   17 o   35.151   9.2972 -14.35360 18.59432 
1 1 1   16   29   18 o   31.394   9.1005 2.631603 18.20103 
1 1 1   16   29   19 o   22.238   7.4111 -0.2317314 14.82220 
1 1 1   16   30    0 o   38.775   12.139 0.000000 0.000000 
1 1 1   16   30    1 o  132.482   2.5265 -3.068756 5.052974 
1 1 1   16   30    2 o   23.099   7.0776 0.2049351 14.15524 
1 1 1   16   30    3 o   28.410   7.6621 6.654591 15.32422 
1 1 1   16   30    4 o   24.168   7.3443 -1.267973 14.68869 
1 1 1   16   30    5 o   91.011   3.6932 -0.3288040 7.386493 
1 1 1   16   30    6 o   79.280   5.1673 3.405571 10.33461 
1 1 1   16   30    7 o   49.774   8.4341 7.532681 16.86818 
1 1 1   16   30    8 o   20.617   6.9982 2.123945 13.99636 
1 1 1   16   30    9 o   19.193   6.6263 1.307966 13.25252 
1 1 1   16   30   10 o   25.232   8.0077 -4.131361 16.01538 
1 1 1   16   30   11 o   76.989   5.9047 0.1995926 11.80937 
1 1 1   16   30   12 o   26.669   8.3458 -1.516575 16.69161 
1 1 1   16   30   13 o   79.900   7.8983 29.84801 15.79655 
1 1 1   16   30   14 o   59.070   7.8106 -13.32661 15.62129 
1 1 1   16   30   15 o   36.895   8.5610 -26.72744 17.12209 
1 1 1   16   30   16 o   71.450   6.4672 -10.80378 12.93430 
1 1 1   16   30   17 o   31.054   8.9259 2.028990 17.85173 
1 1 1   16   30   18 o   20.802   7.0286 -7.637125 14.05729 
1 1 1   16   31    0 o   46.150   11.686 0.000000 0.000000 
1 1 1   16   31    1 o   22.265   6.9663 5.871159 13.93255 
1 1 1   16   31    2 o   69.052   4.6772 4.099571 9.354368 
1 1 1   16   31    3 o   21.785   6.8731 2.832289 13.74614 
1 1 1   16   31    4 o   67.432   4.4837 -11.18692 8.967334 
1 1 1   16   31    5 o   23.515   7.4031 -4.379841 14.80627 
1 1 1   16   31    6 o   43.584   9.1244 2.794659 18.24875 
1 1 1   16   31    7 f   33.693   9.0093 -4.707287 18.01863 
1 1 1   16   31    8 o   38.313   9.2358 -0.5600052 18.47151 
1 1 1   16   31    9 o   22.622   7.5362 1.063078 15.07234 
1 1 1   16   31   10 o   56.831   8.8778 24.97511 17.75561 
1 1 1   16   31   11 f   49.407   8.8145 19.23708 17.62899 
1 1 1   16   31   12 o   45.747   9.2667 3.631207 18.53341 
1 1 1   16   31   13 o   32.039   8.6020 -17.50170 17.20409 
1 1 1   16   31   14 o   37.354   9.9520 -7.371796 19.90390 
1 1 1   16   31   15 o   54.400   8.0911 20.15275 16.18216 
1 1 1   16   31   16 o   29.970   8.7808 -8.602228 17.56165 
1 1 1   16   32    0 o   80.942   6.7949 0.000000 0.000000 
1 1 1   16   32    1 o   89.064   3.9043 -3.198044 7.808528 
1 1 1   16   32    2 o   43.869   7.6457 3.926666 15.29132 
1 1 1   16   32    3 o   82.173   3.9446 -0.3899002 7.889189 
1 1 1   16   32    4 o   68.770   4.6751 -17.44345 9.350133 
1 1 1   16   32    5 o   19.491   6.4296 -8.717662 12.85910 
1 1 1   16   32    6 o   49.242   8.9936 12.26942 17.98718 
1 1 1   16   32    7 o   40.230   9.9578 -1.078987 19.91556 
1 1 1   16   32    8 o   68.577   6.8397 -8.338966 13.67933 
1 1 1   16   32    9 o   40.859   10.087 -17.42778 20.17352 
1 1 1   16   32   10 o   63.559   7.4652 19.79087 14.93035 
1 1 1   16   32   11 o   38.354   9.1632 13.11302 18.32647 
1 1 1   16   32   12 o   24.247   7.7868 -2.878952 15.57354 
1 1 1   16   32   13 o   45.093   9.4179 -19.15122 18.83575 
1 1 1   16   32   14 o   28.241   8.5205 -12.59561 17.04104 
1 1 1   16   33    0 o   22.730   10.185 0.000000 0.000000 
1 1 1   16   33    1 f   33.222   8.0098 4.730419 16.01965 
1 1 1   16   33    2 o   22.176   7.1076 -2.935333 14.21515 
1 1 1   16   33    3 o   56.405   6.6219 17.13365 13.24385 
1 1 1   16   33    4 f   27.066   7.7084 3.854435 15.41687 
1 1 1   16   33    5 o   27.789   7.6840 1.183607 15.36791 
1 1 1   16   33    6 f   82.748   5.8821 7.434021 11.76417 
1 1 1   16   33    7 o   35.631   9.2791 -1.475365 18.55812 
1 1 1   16   33    8 o   24.870   8.0553 -6.128077 16.11056 
1 1 1   16   33    9 o   22.397   7.4668 -0.4764214 14.93369 
1 1 1   16   33   10 o   33.937   8.9457 -11.69656 17.89141 
1 1 1   16   33   11 o   23.808   7.3739 -18.18998 14.74775 
1 1 1   16   34    0 o   24.626   11.029 0.000000 0.000000 
1 1 1   16   34    1 o   27.364   7.0323 -19.09435 14.06462 
1 1 1   16   34    2 o   33.094   8.0440 -6.092031 16.08808 
1 1 1   16   34    3 o   34.238   7.9552 -14.19702 15.91038 
1 1 1   16   34    4 o   51.081   7.0433 15.67959 14.08669 
1 1 1   16   34    5 o  125.186   3.0490 12.67391 6.098037 
1 1 1   16   34    6 o   67.140   10.685 -20.89845 21.37033 
1 1 1   16   34    7 o   26.790   8.3853 2.406324 16.77052 
1 1 1   17    0    1 o  411.197   3.8208 0.000000 0.000000 
1 1 1   17    0    2 o  805.828   5.9765 0.000000 0.000000 
1 1 1   17    0    3 o  310.323   2.4837 0.000000 0.000000 
1 1 1   17    0    4 o  920.184   6.8226 0.000000 0.000000 
1 1 1   17    0    5 o  717.666   5.3355 0.000000 0.000000 
1 1 1   17    0    6 o  239.436   2.2083 0.000000 0.000000 
1 1 1   17    0    7 o  316.389   2.5919 0.000000 0.000000 
1 1 1   17    0    8 o  107.407   4.4230 0.000000 0.000000 
1 1 1   17    0    9 o  345.544   3.4072 0.000000 0.000000 
1 1 1   17    0   10 o  415.998   3.2383 0.000000 0.000000 
1 1 1   17    0   11 o  371.713   2.9760 0.000000 0.000000 
1 1 1   17    0   12 o  299.374   2.6847 0.000000 0.000000 
1 1 1   17    0   13 o   50.140   10.694 0.000000 0.000000 
1 1 1   17    0   14 o  292.199   3.5059 0.000000 0.000000 
1 1 1   17    0   15 o  166.144   3.3106 0.000000 0.000000 
1 1 1   17    0   16 o  443.575   5.0300 0.000000 0.000000 
1 1 1   17    0   17 o  394.201   3.2946 0.000000 0.000000 
1 1 1   17    0   18 o  141.995   5.4636 0.000000 0.000000 
1 1 1   17    0   19 o  244.010   3.8861 0.000000 0.000000 
1 1 1   17    0   20 o  404.944   3.4845 0.000000 0.000000 
1 1 1   17    0   21 f   19.820   9.7036 0.000000 0.000000 
1 1 1   17    0   22 o  135.080   4.5969 0.000000 0.000000 
1 1 1   17    0   23 o  126.663   6.2592 0.000000 0.000000 
1 1 1   17    0   24 o   25.819   12.051 0.000000 0.000000 
1 1 1   17    0   25 o   32.416   11.488 0.000000 0.000000 
1 1 1   17    0   26 o  103.531   7.2500 0.000000 0.000000 
1 1 1   17    0   27 o   20.465   10.032 0.000000 0.000000 
1 1 1   17    0   28 o  158.391   5.2331 0.000000 0.000000 
1 1 1   17    0   29 o  155.214   4.7709 0.000000 0.000000 
1 1 1   17    0   30 o   38.562   12.939 0.000000 0.000000 
1 1 1   17    0   31 o   96.580   7.4125 0.000000 0.000000 
1 1 1   17    0   32 f   33.280   13.287 0.000000 0.000000 
1 1 1   17    0   33 o   26.419   12.307 0.000000 0.000000 
1 1 1   17    0   34 o   35.440   13.741 0.000000 0.000000 
1 1 1   17    0   35 o   88.199   9.7616 0.000000 0.000000 
1 1 1   17    1    0 o  291.781   2.3500 0.000000 0.000000 
1 1 1   17    1    1 o  651.283   3.7006 -6.380920 7.401108 
1 1 1   17    1    2 o  378.523   2.5173 -0.2141113 5.034506 
1 1 1   17    1    3 o  221.575   1.5604 -0.8468628E-01 3.120809 
1 1 1   17    1    4 o  428.138   2.4834 -0.1958618 4.966798 
1 1 1   17    1    5 o  465.059   2.6874 0.2565002 5.374757 
1 1 1   17    1    6 o  140.334   1.8372 1.502319 3.674466 
1 1 1   17    1    7 o  438.983   2.5591 2.495361 5.118194 
1 1 1   17    1    8 o  339.515   2.2500 -7.308746 4.499931 
1 1 1   17    1    9 o  349.862   2.1489 -4.359589 4.297798 
1 1 1   17    1   10 o  318.750   1.8892 0.7171631E-02 3.778406 
1 1 1   17    1   11 o  275.800   1.9206 -1.947113 3.841202 
1 1 1   17    1   12 o  126.701   2.4049 6.800484 4.809738 
1 1 1   17    1   13 o  470.332   2.9883 -9.117096 5.976530 
1 1 1   17    1   14 o  115.490   2.9846 3.320190 5.969135 
1 1 1   17    1   15 o  291.795   2.1953 3.257080 4.390543 
1 1 1   17    1   16 o  181.675   2.3753 -2.333664 4.750662 
1 1 1   17    1   17 o   70.391   5.9110 3.933311 11.82206 
1 1 1   17    1   18 o  270.180   2.1571 2.449402 4.314235 
1 1 1   17    1   19 o  149.976   2.9572 -2.621368 5.914306 
1 1 1   17    1   20 o   62.564   7.0994 -19.29471 14.19880 
1 1 1   17    1   21 o  199.725   2.7545 2.415329 5.509034 
1 1 1   17    1   22 o   50.978   9.0007 6.540127 18.00139 
1 1 1   17    1   23 o  233.665   2.6152 0.7672119 5.230378 
1 1 1   17    1   24 o  123.648   4.0775 5.255188 8.155002 
1 1 1   17    1   25 o   94.291   5.0221 9.665749 10.04422 
1 1 1   17    1   26 o  131.831   3.7575 15.14723 7.514915 
1 1 1   17    1   27 o   32.765   9.1526 2.174713 18.30528 
1 1 1   17    1   28 o  168.371   3.0965 7.904541 6.192955 
1 1 1   17    1   29 o   69.304   6.7636 5.851265 13.52711 
1 1 1   17    1   30 o   78.027   6.3195 4.615463 12.63907 
1 1 1   17    1   31 o   40.452   10.180 -7.609673 20.36063 
1 1 1   17    1   32 o  136.264   3.6600 12.94824 7.319993 
1 1 1   17    1   33 o   52.952   9.4146 -0.1087418 18.82912 
1 1 1   17    1   34 o   35.831   9.4045 1.356617 18.80894 
1 1 1   17    1   35 o   41.085   8.7640 -16.42130 17.52798 
1 1 1   17    2    0 x  ?   ?       ?      ? 
1 1 1   17    2    1 o  171.641   1.3966 0.9485321 2.793282 
1 1 1   17    2    2 o  395.227   2.1386 2.090759 4.277211 
1 1 1   17    2    3 f  430.568   2.8268 6.454132 5.653502 
1 1 1   17    2    4 o  254.817   1.9164 -0.8620911 3.832749 
1 1 1   17    2    5 o  339.764   2.0633 -5.011414 4.126645 
1 1 1   17    2    6 o  879.930   4.9844 0.1854248 9.968867 
1 1 1   17    2    7 o  157.137   2.1231 -0.5813904 4.246170 
1 1 1   17    2    8 o  226.203   2.2946 -2.389038 4.589189 
1 1 1   17    2    9 o  502.351   2.6957 -5.642944 5.391340 
1 1 1   17    2   10 o  327.673   1.9211 -0.6521912 3.842214 
1 1 1   17    2   11 o  202.433   1.7330 -1.801956 3.465955 
1 1 1   17    2   12 o  475.762   2.5982 4.154938 5.196325 
1 1 1   17    2   13 o  460.492   2.9311 15.09064 5.862184 
1 1 1   17    2   14 o  583.357   3.1365 -1.191895 6.272970 
1 1 1   17    2   15 o  405.457   2.7035 -1.091431 5.407013 
1 1 1   17    2   16 o  194.894   2.6340 -0.7118225E-01 5.268024 
1 1 1   17    2   17 o  442.184   2.5191 1.244385 5.038194 
1 1 1   17    2   18 f  209.324   3.0428 -0.4909515 6.085675 
1 1 1   17    2   19 o  352.844   2.2643 -0.9732056 4.528550 
1 1 1   17    2   20 o   73.450   5.8607 8.400909 11.72131 
1 1 1   17    2   21 o  303.325   2.2413 -3.656830 4.482635 
1 1 1   17    2   22 o  248.360   2.4746 -0.6471252 4.949143 
1 1 1   17    2   23 o   72.406   6.8987 -0.9918747 13.79742 
1 1 1   17    2   24 o  128.857   3.7243 -2.287621 7.448607 
1 1 1   17    2   25 o   96.811   4.9520 -7.928040 9.904086 
1 1 1   17    2   26 o  137.804   3.5097 -14.60866 7.019306 
1 1 1   17    2   27 o  149.299   3.2137 5.229675 6.427399 
1 1 1   17    2   28 o  101.358   5.2833 -15.30947 10.56652 
1 1 1   17    2   29 o  114.594   4.1593 -1.399910 8.318677 
1 1 1   17    2   30 o   76.097   6.4571 -8.948196 12.91430 
1 1 1   17    2   31 o   28.557   8.7029 -6.185482 17.40581 
1 1 1   17    2   32 o   34.680   9.3320 -12.50354 18.66390 
1 1 1   17    2   33 o   32.638   9.4826 3.188274 18.96515 
1 1 1   17    2   34 o   45.693   9.0187 16.24966 18.03737 
1 1 1   17    2   35 o   45.501   8.5016 19.82011 17.00315 
1 1 1   17    3    0 o  699.761   6.3644 0.000000 0.000000 
1 1 1   17    3    1 f  749.582   4.2513 -1.605774 8.502521 
1 1 1   17    3    2 o  652.672   3.4343 -4.431702 6.868670 
1 1 1   17    3    3 o  466.695   2.4919 7.484955 4.983845 
1 1 1   17    3    4 o  264.775   1.7342 4.388611 3.468424 
1 1 1   17    3    5 f  328.707   2.0006 -1.036835 4.001238 
1 1 1   17    3    6 o  379.844   2.0967 -7.292297 4.193439 
1 1 1   17    3    7 o  415.807   2.2680 -4.290070 4.535899 
1 1 1   17    3    8 f  348.116   1.9820 2.469940 3.963957 
1 1 1   17    3    9 o  405.791   2.2368 0.8018188 4.473641 
1 1 1   17    3   10 f  162.298   1.9916 -5.485046 3.983197 
1 1 1   17    3   11 o  219.166   1.7478 -0.9339447 3.495580 
1 1 1   17    3   12 o  585.814   3.1294 2.397217 6.258704 
1 1 1   17    3   13 o  339.557   2.6848 15.36658 5.369683 
1 1 1   17    3   14 o  256.575   1.9508 0.3347473 3.901583 
1 1 1   17    3   15 f  185.030   2.6367 -7.083176 5.273403 
1 1 1   17    3   16 x  ?   ?       ?      ? 
1 1 1   17    3   17 o  216.177   2.1637 -0.5050659E-02 4.327429 
1 1 1   17    3   18 o  277.668   2.6160 -19.44037 5.231919 
1 1 1   17    3   19 f  273.855   2.2030 -0.3688660 4.405937 
1 1 1   17    3   20 o   75.358   5.7179 0.3455505 11.43577 
1 1 1   17    3   21 o   99.951   4.3703 -5.341782 8.740677 
1 1 1   17    3   22 o  292.169   2.3460 0.8456726 4.692019 
1 1 1   17    3   23 o   71.916   6.3726 8.333321 12.74519 
1 1 1   17    3   24 o  120.005   4.1095 -1.048042 8.218912 
1 1 1   17    3   25 o  156.145   3.1858 -0.3538818 6.371598 
1 1 1   17    3   26 o   48.147   8.9932 -3.465809 17.98631 
1 1 1   17    3   27 o   78.351   5.9110 2.128036 11.82198 
1 1 1   17    3   28 o   94.997   5.5372 -3.573776 11.07450 
1 1 1   17    3   29 o   47.764   9.0685 -13.72245 18.13698 
1 1 1   17    3   30 o   28.408   8.7174 -3.862188 17.43482 
1 1 1   17    3   31 o   92.249   5.3363 7.281082 10.67253 
1 1 1   17    3   32 o   87.262   5.5197 -8.640610 11.03933 
1 1 1   17    3   33 f   36.745   9.8572 -2.152771 19.71431 
1 1 1   17    3   34 o   50.627   8.8497 -20.34835 17.69943 
1 1 1   17    3   35 o   16.534   5.8582 -4.770955 11.71643 
1 1 1   17    4    0 o  359.261   2.7914 0.000000 0.000000 
1 1 1   17    4    1 o  605.467   3.4493 3.622620 6.898600 
1 1 1   17    4    2 o  506.098   2.6878 5.187012 5.375535 
1 1 1   17    4    3 o  120.413   1.7344 -2.390907 3.468858 
1 1 1   17    4    4 f  644.441   3.3966 -9.574463 6.793285 
1 1 1   17    4    5 o  273.534   1.6592 1.747437 3.318309 
1 1 1   17    4    6 o  595.229   3.1498 -0.8854370 6.299617 
1 1 1   17    4    7 o  415.806   2.6201 13.69699 5.240283 
1 1 1   17    4    8 o  530.017   2.8299 -4.141113 5.659888 
1 1 1   17    4    9 o  698.214   3.6821 1.957581 7.364224 
1 1 1   17    4   10 o  540.751   2.8911 3.553589 5.782174 
1 1 1   17    4   11 o  405.730   2.4496 3.603790 4.899173 
1 1 1   17    4   12 o  285.017   2.4254 -1.178619 4.850863 
1 1 1   17    4   13 o  178.822   2.3655 -5.946106 4.731003 
1 1 1   17    4   14 o   90.177   3.9091 3.766365 7.818102 
1 1 1   17    4   15 o  617.380   3.3177 -4.768799 6.635429 
1 1 1   17    4   16 o  430.254   2.6654 0.4385986 5.330881 
1 1 1   17    4   17 o  137.736   3.0889 2.873001 6.177731 
1 1 1   17    4   18 o  565.473   3.0999 0.8353882 6.199834 
1 1 1   17    4   19 o  106.152   4.0485 -4.260086 8.096973 
1 1 1   17    4   20 o  119.475   3.7099 6.043983 7.419796 
1 1 1   17    4   21 o  191.909   2.7637 -2.634094 5.527482 
1 1 1   17    4   22 o   80.431   5.8840 -2.037697 11.76807 
1 1 1   17    4   23 o  171.199   3.0199 -1.638687 6.039726 
1 1 1   17    4   24 o   71.781   6.6059 -3.475609 13.21186 
1 1 1   17    4   25 o   85.468   5.5938 13.21424 11.18753 
1 1 1   17    4   26 o   35.963   9.1256 13.47894 18.25123 
1 1 1   17    4   27 o  128.821   3.6155 -1.146118 7.230986 
1 1 1   17    4   28 o  115.607   4.3502 1.542480 8.700480 
1 1 1   17    4   29 o  101.760   4.5058 -1.280022 9.011545 
1 1 1   17    4   30 o   56.460   8.5815 2.351418 17.16298 
1 1 1   17    4   31 o   98.117   5.0229 6.296326 10.04573 
1 1 1   17    4   32 o   80.333   5.9399 -11.19867 11.87973 
1 1 1   17    4   33 o   44.844   9.9819 -2.941372 19.96377 
1 1 1   17    4   34 o   33.556   9.0956 -9.040598 18.19117 
1 1 1   17    5    0 o  126.908   2.4157 0.000000 0.000000 
1 1 1   17    5    1 o  583.016   3.0774 6.808411 6.154854 
1 1 1   17    5    2 o  404.394   2.3731 3.484070 4.746188 
1 1 1   17    5    3 o  482.730   2.5747 -0.6572571 5.149324 
1 1 1   17    5    4 o  537.326   2.8496 1.362671 5.699130 
1 1 1   17    5    5 o  237.122   1.6961 -3.970459 3.392236 
1 1 1   17    5    6 o  560.136   2.9713 -1.945435 5.942592 
1 1 1   17    5    7 o  506.592   2.7120 -1.469147 5.423949 
1 1 1   17    5    8 o  706.635   3.7231 3.513672 7.446284 
1 1 1   17    5    9 o  206.967   1.8305 -4.969147 3.661055 
1 1 1   17    5   10 o  315.329   1.8992 -1.285583 3.798347 
1 1 1   17    5   11 f  861.768   4.5314 4.255493 9.062745 
1 1 1   17    5   12 o  174.099   2.6532 0.5418396E-01 5.306468 
1 1 1   17    5   13 o  201.704   2.1233 -4.000076 4.246503 
1 1 1   17    5   14 o  501.649   2.7600 -6.449463 5.519960 
1 1 1   17    5   15 o  359.127   2.2081 -7.238556 4.416118 
1 1 1   17    5   16 o   48.951   7.5793 -16.37977 15.15868 
1 1 1   17    5   17 o  189.433   2.5661 3.028259 5.132209 
1 1 1   17    5   18 o   90.918   4.6071 -6.612785 9.214238 
1 1 1   17    5   19 o  132.332   3.3901 9.192848 6.780128 
1 1 1   17    5   20 f   82.310   6.2024 11.42175 12.40490 
1 1 1   17    5   21 o  226.235   2.5315 1.219299 5.063083 
1 1 1   17    5   22 o   43.978   9.6386 11.57090 19.27724 
1 1 1   17    5   23 o   28.420   8.7548 -0.5705528 17.50953 
1 1 1   17    5   24 o  250.878   2.3554 -0.5678864 4.710864 
1 1 1   17    5   25 o   72.166   6.2234 1.079552 12.44679 
1 1 1   17    5   26 o   62.759   7.2764 16.99298 14.55283 
1 1 1   17    5   27 o   58.774   7.8424 13.82354 15.68482 
1 1 1   17    5   28 o   68.148   6.9197 -21.96967 13.83939 
1 1 1   17    5   29 f   32.048   8.8835 15.15775 17.76699 
1 1 1   17    5   30 o   99.014   4.7088 2.594910 9.417562 
1 1 1   17    5   31 o  110.274   4.2952 6.464462 8.590452 
1 1 1   17    5   32 o   24.760   8.1082 4.651102 16.21638 
1 1 1   17    5   33 o   93.789   5.2104 6.220421 10.42075 
1 1 1   17    5   34 o   69.221   6.0945 8.466736 12.18905 
1 1 1   17    6    0 x  ?   ?       ?      ? 
1 1 1   17    6    1 o  207.672   1.4850 1.627182 2.970088 
1 1 1   17    6    2 o  761.301   4.3185 -1.786621 8.637000 
1 1 1   17    6    3 o  371.930   2.0442 -1.081116 4.088394 
1 1 1   17    6    4 o  194.813   1.6000 4.779816 3.199931 
1 1 1   17    6    5 o  248.848   1.6130 -5.369659 3.225970 
1 1 1   17    6    6 o  407.495   2.2323 2.466766 4.464611 
1 1 1   17    6    7 o  583.835   3.3457 -4.834106 6.691437 
1 1 1   17    6    8 o  173.031   1.7212 -2.869858 3.442497 
1 1 1   17    6    9 o  349.587   2.0023 2.481140 4.004537 
1 1 1   17    6   10 o  104.828   2.6842 5.739105 5.368412 
1 1 1   17    6   11 o  516.037   2.7912 0.5639038 5.582332 
1 1 1   17    6   12 o  409.296   2.5201 6.538513 5.040232 
1 1 1   17    6   13 o  399.579   2.3033 -0.6278687 4.606633 
1 1 1   17    6   14 o  431.942   2.4691 3.155579 4.938289 
1 1 1   17    6   15 o  358.845   2.4130 0.5253601 4.825963 
1 1 1   17    6   16 o  177.011   2.4248 4.442154 4.849546 
1 1 1   17    6   17 o  266.975   2.4605 1.208984 4.921075 
1 1 1   17    6   18 o  101.533   4.5104 -7.578690 9.020815 
1 1 1   17    6   19 o  217.658   2.2860 -0.9482269 4.572097 
1 1 1   17    6   20 o  228.018   2.4706 2.795471 4.941225 
1 1 1   17    6   21 o   25.705   8.2644 6.055197 16.52873 
1 1 1   17    6   22 o  352.630   2.4149 2.084869 4.829885 
1 1 1   17    6   23 o   26.373   8.1496 15.14614 16.29918 
1 1 1   17    6   24 o   32.111   8.9302 13.03604 17.86049 
1 1 1   17    6   25 o  130.178   4.2738 -8.210190 8.547623 
1 1 1   17    6   26 o  106.020   4.3344 -10.76604 8.668799 
1 1 1   17    6   27 o   28.179   8.6022 6.549934 17.20433 
1 1 1   17    6   28 o  103.705   4.5368 13.14117 9.073659 
1 1 1   17    6   29 o   36.693   9.3495 -6.113071 18.69890 
1 1 1   17    6   30 o   33.513   8.4145 20.39815 16.82908 
1 1 1   17    6   31 o   32.837   9.3539 -3.840534 18.70783 
1 1 1   17    6   32 o   28.240   8.6591 -2.241777 17.31817 
1 1 1   17    6   33 o   27.840   8.6610 2.729067 17.32193 
1 1 1   17    6   34 o   28.910   8.4896 -2.791767 16.97930 
1 1 1   17    7    0 o  368.175   2.8703 0.000000 0.000000 
1 1 1   17    7    1 o  272.773   1.8880 0.2065125 3.775967 
1 1 1   17    7    2 o  274.381   1.8884 7.660248 3.776760 
1 1 1   17    7    3 o  514.939   2.9589 -2.833008 5.917871 
1 1 1   17    7    4 o  690.889   3.6369 1.807251 7.273770 
1 1 1   17    7    5 o  479.985   2.5780 3.071045 5.156045 
1 1 1   17    7    6 o  723.409   3.8078 2.156433 7.615588 
1 1 1   17    7    7 o  713.600   3.7591 0.9002686E-01 7.518217 
1 1 1   17    7    8 o  265.585   1.7152 -1.284912 3.430422 
1 1 1   17    7    9 o  432.487   2.3682 -2.445129 4.736453 
1 1 1   17    7   10 o  241.902   1.7947 0.1863556 3.589403 
1 1 1   17    7   11 o  357.091   2.4185 -13.57715 4.837023 
1 1 1   17    7   12 o  153.571   2.6517 -16.30438 5.303350 
1 1 1   17    7   13 o  174.603   2.2483 4.574203 4.496657 
1 1 1   17    7   14 o  567.700   3.9604 38.43115 7.920893 
1 1 1   17    7   15 o  223.100   2.1428 2.789627 4.285633 
1 1 1   17    7   16 o  345.508   2.2024 -1.296814 4.404765 
1 1 1   17    7   17 o  307.122   2.1897 -3.299835 4.379418 
1 1 1   17    7   18 o  294.331   2.1668 0.6115112 4.333683 
1 1 1   17    7   19 f  252.648   2.4169 -2.406769 4.833777 
1 1 1   17    7   20 o  356.042   2.4228 -2.078796 4.845584 
1 1 1   17    7   21 o  423.333   2.6147 -3.254913 5.229447 
1 1 1   17    7   22 o  121.741   3.8311 -4.160973 7.662135 
1 1 1   17    7   23 o  127.786   3.7312 -13.89545 7.462461 
1 1 1   17    7   24 o  125.413   3.7284 -1.710617 7.456870 
1 1 1   17    7   25 o  140.083   3.3091 6.475922 6.618245 
1 1 1   17    7   26 o  148.974   3.1233 1.919724 6.246542 
1 1 1   17    7   27 o   24.199   7.8768 -4.902460 15.75368 
1 1 1   17    7   28 o   28.641   8.2442 -17.41057 16.48833 
1 1 1   17    7   29 o  125.604   3.6720 4.579300 7.344058 
1 1 1   17    7   30 o   83.408   5.5656 -10.09853 11.13127 
1 1 1   17    7   31 o   35.886   9.4517 -4.370876 18.90334 
1 1 1   17    7   32 o   61.486   7.6077 -8.600483 15.21541 
1 1 1   17    7   33 o   54.937   8.7545 8.032921 17.50895 
1 1 1   17    7   34 o   22.269   7.3378 -0.6848240 14.67554 
1 1 1   17    8    0 o  134.876   3.2418 0.000000 0.000000 
1 1 1   17    8    1 o  333.643   2.1676 1.758453 4.335145 
1 1 1   17    8    2 o  299.613   1.8812 6.857269 3.762377 
1 1 1   17    8    3 o  862.117   4.8884 0.2874146 9.776715 
1 1 1   17    8    4 o  589.343   3.3704 2.079224 6.740785 
1 1 1   17    8    5 o  507.390   2.7116 -1.657440 5.423128 
1 1 1   17    8    6 o  832.821   4.7293 -8.063416 9.458583 
1 1 1   17    8    7 o  234.876   1.6685 2.991592 3.337033 
1 1 1   17    8    8 o  267.725   1.7506 -1.409393 3.501234 
1 1 1   17    8    9 o  296.743   1.8610 -1.887512 3.722016 
1 1 1   17    8   10 o  209.781   1.9345 -0.9464417 3.869006 
1 1 1   17    8   11 o  147.668   2.3120 -1.132080 4.624071 
1 1 1   17    8   12 o  298.603   1.9705 0.9440002 3.941072 
1 1 1   17    8   13 o  125.543   2.8968 -8.345497 5.793545 
1 1 1   17    8   14 o  447.345   2.7204 -11.16037 5.440706 
1 1 1   17    8   15 o   61.488   5.9449 -6.279858 11.88986 
1 1 1   17    8   16 o  310.202   2.1428 1.707062 4.285543 
1 1 1   17    8   17 o  112.585   3.8543 7.178726 7.708589 
1 1 1   17    8   18 o  184.458   2.4881 -0.8286896 4.976286 
1 1 1   17    8   19 o  263.617   2.3230 1.067230 4.645906 
1 1 1   17    8   20 f  226.208   2.4734 0.8441467 4.946764 
1 1 1   17    8   21 o  137.275   3.4041 -2.856232 6.808162 
1 1 1   17    8   22 o   48.509   8.8419 24.70975 17.68384 
1 1 1   17    8   23 o   90.015   4.9605 -4.110077 9.921055 
1 1 1   17    8   24 o   27.830   8.0364 -14.83043 16.07281 
1 1 1   17    8   25 o  172.294   2.7219 5.441788 5.443890 
1 1 1   17    8   26 o   27.474   8.2705 5.012211 16.54095 
1 1 1   17    8   27 o  159.644   4.6391 44.01855 9.278266 
1 1 1   17    8   28 o   67.055   7.5546 -15.88986 15.10927 
1 1 1   17    8   29 o   65.854   6.8119 3.887352 13.62378 
1 1 1   17    8   30 f  108.613   4.2413 -2.129974 8.482595 
1 1 1   17    8   31 o   43.867   8.4204 29.52414 16.84076 
1 1 1   17    8   32 o   86.398   5.5787 16.65438 11.15744 
1 1 1   17    8   33 o   99.204   4.5442 16.06345 9.088366 
1 1 1   17    8   34 o   47.762   8.3124 -7.354584 16.62484 
1 1 1   17    9    0 o  146.979   2.4611 0.000000 0.000000 
1 1 1   17    9    1 o  251.261   1.6339 4.705002 3.267840 
1 1 1   17    9    2 o  466.960   2.5103 1.438202 5.020682 
1 1 1   17    9    3 o  142.144   2.3584 -10.03114 4.716801 
1 1 1   17    9    4 o  1103.52   6.2443 -14.62061 12.48866 
1 1 1   17    9    5 o  360.935   2.0337 4.692169 4.067460 
1 1 1   17    9    6 o  372.093   2.2633 1.113922 4.526567 
1 1 1   17    9    7 o  568.762   3.0284 -1.862061 6.056876 
1 1 1   17    9    8 o  455.634   2.4873 -2.627625 4.974501 
1 1 1   17    9    9 o  244.563   1.7870 -5.929733 3.574070 
1 1 1   17    9   10 o  259.147   1.8461 -2.180847 3.692252 
1 1 1   17    9   11 o  283.902   1.9048 3.462921 3.809506 
1 1 1   17    9   12 o  236.648   2.1166 4.446671 4.233150 
1 1 1   17    9   13 o  267.563   2.6482 -14.16455 5.296371 
1 1 1   17    9   14 o  320.846   2.0948 1.541504 4.189520 
1 1 1   17    9   15 o  547.795   2.9958 -0.6085815 5.991650 
1 1 1   17    9   16 o  439.301   2.5475 2.333740 5.095003 
1 1 1   17    9   17 o  153.342   2.9204 1.493454 5.840885 
1 1 1   17    9   18 o  291.744   2.3745 -0.9741821 4.749080 
1 1 1   17    9   19 o  108.552   4.1127 5.390297 8.225429 
1 1 1   17    9   20 o  125.752   3.6965 5.617149 7.392962 
1 1 1   17    9   21 o   31.948   8.4458 25.82135 16.89160 
1 1 1   17    9   22 o  113.706   4.0300 2.560417 8.059916 
1 1 1   17    9   23 o  104.570   4.1024 7.937256 8.204839 
1 1 1   17    9   24 o  168.870   2.7282 -1.883896 5.456418 
1 1 1   17    9   25 o  177.499   2.6358 -2.959000 5.271626 
1 1 1   17    9   26 o   92.395   4.7836 4.218727 9.567210 
1 1 1   17    9   27 o  156.911   3.1532 7.385345 6.306407 
1 1 1   17    9   28 o   47.258   9.0523 11.91335 18.10459 
1 1 1   17    9   29 o  110.268   4.1386 -1.148117 8.277263 
1 1 1   17    9   30 o   86.364   6.2440 -8.113663 12.48804 
1 1 1   17    9   31 o   42.772   9.3430 12.82280 18.68591 
1 1 1   17    9   32 o   60.168   8.0985 -15.35083 16.19690 
1 1 1   17    9   33 o   30.239   8.7590 3.537878 17.51793 
1 1 1   17    9   34 x  ?   ?       ?      ? 
1 1 1   17   10    0 o  292.886   2.4802 0.000000 0.000000 
1 1 1   17   10    1 o  325.421   2.0194 -6.869995 4.038871 
1 1 1   17   10    2 o  680.528   3.8778 -1.083984 7.755501 
1 1 1   17   10    3 o   72.442   3.3274 8.824120 6.654876 
1 1 1   17   10    4 o  101.556   2.4312 -3.097511 4.862360 
1 1 1   17   10    5 o  519.770   2.7846 -4.091064 5.569160 
1 1 1   17   10    6 o  442.238   2.4128 -5.097778 4.825610 
1 1 1   17   10    7 o  195.075   2.0447 -5.292770 4.089488 
1 1 1   17   10    8 o  160.087   2.6549 32.33362 5.309832 
1 1 1   17   10    9 o  239.550   1.8092 -4.783447 3.618433 
1 1 1   17   10   10 o   99.446   3.0826 4.908119 6.165110 
1 1 1   17   10   11 o  174.620   2.2379 -14.18117 4.475889 
1 1 1   17   10   12 o  442.869   2.8715 3.338287 5.743038 
1 1 1   17   10   13 o   60.418   5.6829 -2.214924 11.36579 
1 1 1   17   10   14 o  227.868   2.0795 2.618851 4.159070 
1 1 1   17   10   15 o  134.157   3.9931 -4.556610 7.986274 
1 1 1   17   10   16 o  356.372   2.2672 1.263184 4.534335 
1 1 1   17   10   17 o  323.319   2.1576 2.363159 4.315300 
1 1 1   17   10   18 o  213.031   2.6326 -9.172302 5.265234 
1 1 1   17   10   19 o  179.238   2.7657 3.427429 5.531451 
1 1 1   17   10   20 o  211.394   2.4837 3.455399 4.967475 
1 1 1   17   10   21 o  146.055   3.1628 4.004440 6.325644 
1 1 1   17   10   22 o   25.032   8.0053 0.1649132 16.01055 
1 1 1   17   10   23 o  178.588   2.6560 -1.514557 5.311957 
1 1 1   17   10   24 o   64.711   6.5838 1.603542 13.16760 
1 1 1   17   10   25 o   61.404   6.9702 6.178822 13.94032 
1 1 1   17   10   26 f   66.463   6.7664 4.374161 13.53278 
1 1 1   17   10   27 x  ?   ?       ?      ? 
1 1 1   17   10   28 o  158.904   2.9455 -4.788742 5.891042 
1 1 1   17   10   29 o   82.907   5.4685 -5.180649 10.93700 
1 1 1   17   10   30 o   38.436   9.6354 2.797798 19.27085 
1 1 1   17   10   31 o   38.432   9.6097 -3.454136 19.21947 
1 1 1   17   10   32 o   70.521   8.1242 -6.065765 16.24842 
1 1 1   17   10   33 o   67.257   6.2826 -15.10032 12.56529 
1 1 1   17   11    0 o  829.846   6.1723 0.000000 0.000000 
1 1 1   17   11    1 o  337.515   1.9367 -2.142548 3.873320 
1 1 1   17   11    2 o  394.830   2.1838 -1.178192 4.367637 
1 1 1   17   11    3 o  177.365   1.7226 1.512878 3.445151 
1 1 1   17   11    4 o   77.922   3.5111 4.740044 7.022185 
1 1 1   17   11    5 f  457.181   2.4913 -2.741699 4.982626 
1 1 1   17   11    6 o  105.747   3.0083 -13.17628 6.016605 
1 1 1   17   11    7 o  211.274   3.2354      ?      ? 
1 1 1   17   11    8 o  413.428   2.3266 -2.700134 4.653187 
1 1 1   17   11    9 o  290.117   1.9118 0.9840698 3.823639 
1 1 1   17   11   10 o  373.015   2.1943 -0.3280640 4.388569 
1 1 1   17   11   11 o  267.150   3.0542      ?      ? 
1 1 1   17   11   12 o   95.907   3.9224 12.37151 7.844864 
1 1 1   17   11   13 o   37.347   8.0117 17.21599 16.02337 
1 1 1   17   11   14 o  335.216   2.1806 -1.048553 4.361160 
1 1 1   17   11   15 o  476.082   2.6757 1.615295 5.351386 
1 1 1   17   11   16 o  102.272   3.8611 8.278137 7.722220 
1 1 1   17   11   17 o  251.301   2.7068 -5.173569 5.413532 
1 1 1   17   11   18 o  145.331   3.1483 -9.526428 6.296541 
1 1 1   17   11   19 o  371.886   2.4437 -2.983612 4.887354 
1 1 1   17   11   20 o  209.594   2.5229 0.7738647 5.045844 
1 1 1   17   11   21 o   48.167   8.1759 -22.28204 16.35173 
1 1 1   17   11   22 o  214.141   2.4313 3.664749 4.862557 
1 1 1   17   11   23 o   82.471   5.1945 -7.720703 10.38905 
1 1 1   17   11   24 o   43.839   8.6616 -14.61422 17.32311 
1 1 1   17   11   25 o   72.349   5.8606 -7.199333 11.72119 
1 1 1   17   11   26 o   46.706   9.2364 -18.48679 18.47283 
1 1 1   17   11   27 o  264.964   2.2836 4.461182 4.567134 
1 1 1   17   11   28 o   64.699   7.2754 -13.06215 14.55086 
1 1 1   17   11   29 o   56.485   8.8545 1.275665 17.70897 
1 1 1   17   11   30 o   36.265   8.8981 -17.05282 17.79619 
1 1 1   17   11   31 o   45.401   9.3474 -12.94028 18.69487 
1 1 1   17   11   32 o   25.793   8.2778 0.1077271E-01 16.55553 
1 1 1   17   11   33 o   86.306   4.6994 1.307526 9.398732 
1 1 1   17   12    0 o  669.677   5.0118 0.000000 0.000000 
1 1 1   17   12    1 o  287.519   1.8091 2.118347 3.618235 
1 1 1   17   12    2 f  471.475   2.5568 -4.514771 5.113519 
1 1 1   17   12    3 o  205.285   1.8246 -7.459595 3.649297 
1 1 1   17   12    4 o  374.627   2.1373 2.626709 4.274535 
1 1 1   17   12    5 f  185.686   2.2758 27.87070 4.551551 
1 1 1   17   12    6 o  282.316   2.3736 -11.89996 4.747123 
1 1 1   17   12    7 o  322.029   1.9852 -5.696381 3.970359 
1 1 1   17   12    8 o   86.087   3.5084 12.77558 7.016856 
1 1 1   17   12    9 o  490.402   2.6865 -0.3215637 5.373041 
1 1 1   17   12   10 o  210.591   2.1627 17.84598 4.325360 
1 1 1   17   12   11 o   65.960   4.9789 0.8605576 9.957898 
1 1 1   17   12   12 o  304.142   2.3097 5.306519 4.619444 
1 1 1   17   12   13 o  595.508   3.4696 8.164368 6.939118 
1 1 1   17   12   14 o   58.404   7.2892 -55.22147 14.57832 
1 1 1   17   12   15 o  188.019   2.3049 5.261047 4.609835 
1 1 1   17   12   16 o  220.675   2.4331 0.6486053 4.866272 
1 1 1   17   12   17 o  156.660   3.0356 -8.676041 6.071290 
1 1 1   17   12   18 o  165.064   2.8558 8.949997 5.711614 
1 1 1   17   12   19 o   89.008   5.0301 -2.224777 10.06022 
1 1 1   17   12   20 o  198.109   2.5140 -2.953613 5.028069 
1 1 1   17   12   21 o   70.283   5.9298 -2.927376 11.85957 
1 1 1   17   12   22 o   50.316   8.3479 -7.232822 16.69584 
1 1 1   17   12   23 o  156.098   2.7392 -0.2360229 5.478426 
1 1 1   17   12   24 o  126.470   3.4235 -3.943710 6.847025 
1 1 1   17   12   25 o   27.797   8.3789 4.653578 16.75771 
1 1 1   17   12   26 o  130.723   3.3482 -3.254669 6.696403 
1 1 1   17   12   27 f   33.522   9.1491 6.348982 18.29825 
1 1 1   17   12   28 o   65.045   7.3103 -14.79967 14.62051 
1 1 1   17   12   29 o   84.191   5.3105 2.683647 10.62097 
1 1 1   17   12   30 f   88.611   5.1483 4.916283 10.29661 
1 1 1   17   12   31 o   55.670   8.6010 10.95464 17.20193 
1 1 1   17   12   32 o   67.548   6.1943 -6.947922 12.38850 
1 1 1   17   12   33 x  ?   ?       ?      ? 
1 1 1   17   13    0 o  145.736   3.3669 0.000000 0.000000 
1 1 1   17   13    1 o  391.825   4.4616      ?      ? 
1 1 1   17   13    2 o  484.523   2.6318 -5.799774 5.263659 
1 1 1   17   13    3 o  310.214   2.0899 1.415192 4.179857 
1 1 1   17   13    4 o  288.634   2.0056 -8.912750 4.011107 
1 1 1   17   13    5 o  414.783   2.3243 -0.5854797 4.648667 
1 1 1   17   13    6 f  190.240   1.8591 -1.721237 3.718264 
1 1 1   17   13    7 o  313.451   1.9585 0.9817810 3.917044 
1 1 1   17   13    8 o  262.842   2.5894 -9.784973 5.178701 
1 1 1   17   13    9 o  318.326   2.0500 -4.642090 4.099930 
1 1 1   17   13   10 o  125.665   2.6906 -16.53938 5.381188 
1 1 1   17   13   11 o  146.702   2.4478 -2.457886 4.895529 
1 1 1   17   13   12 o   61.381   7.5739      ?      ? 
1 1 1   17   13   13 o  181.352   2.5100 -14.82600 5.019972 
1 1 1   17   13   14 o  164.260   2.4027 8.735489 4.805326 
1 1 1   17   13   15 o  159.305   2.4820 -1.613464 4.963953 
1 1 1   17   13   16 o  106.985   4.0680 -1.421661 8.136097 
1 1 1   17   13   17 o  291.690   2.2582 -2.302246 4.516488 
1 1 1   17   13   18 o  188.273   2.7200 -5.803635 5.440018 
1 1 1   17   13   19 o   50.133   8.6378 8.532684 17.27567 
1 1 1   17   13   20 o   27.857   8.4236 14.69652 16.84728 
1 1 1   17   13   21 o  149.811   2.9529 -3.485321 5.905755 
1 1 1   17   13   22 o  142.472   3.0392 0.6591492 6.078332 
1 1 1   17   13   23 o  135.700   3.1234 -4.789566 6.246855 
1 1 1   17   13   24 o  174.767   2.5946 -4.129166 5.189130 
1 1 1   17   13   25 f  116.098   4.6138 30.71526 9.227502 
1 1 1   17   13   26 o  154.642   2.9695 4.221039 5.939045 
1 1 1   17   13   27 o  168.738   2.8202 -5.290039 5.640359 
1 1 1   17   13   28 o   81.758   5.3315 14.13367 10.66303 
1 1 1   17   13   29 o  127.755   3.5742 2.634636 7.148401 
1 1 1   17   13   30 o   56.504   8.4089 -5.524807 16.81780 
1 1 1   17   13   31 o   33.136   8.9055 -11.95993 17.81102 
1 1 1   17   13   32 o   27.255   8.1805 -3.304955 16.36098 
1 1 1   17   14    0 o  306.432   2.7276 0.000000 0.000000 
1 1 1   17   14    1 o  185.501   1.8988 -4.623276 3.797635 
1 1 1   17   14    2 o  489.339   2.6668 -5.285217 5.333569 
1 1 1   17   14    3 o  496.007   2.7012 -3.826538 5.402365 
1 1 1   17   14    4 o  400.753   2.2823 -1.290466 4.564521 
1 1 1   17   14    5 o  445.519   2.4800 2.116699 4.959955 
1 1 1   17   14    6 o  279.004   2.6720 46.08792 5.344087 
1 1 1   17   14    7 o  225.178   2.2372 23.60193 4.474350 
1 1 1   17   14    8 o  276.600   1.9442 1.385437 3.888393 
1 1 1   17   14    9 o  528.443   2.8740 4.971985 5.748063 
1 1 1   17   14   10 x  ?   ?       ?      ? 
1 1 1   17   14   11 o  403.891   2.5435 11.48917 5.086961 
1 1 1   17   14   12 x  ?   ?       ?      ? 
1 1 1   17   14   13 o  333.329   2.1367 8.750610 4.273355 
1 1 1   17   14   14 o  150.424   3.0414 -7.890381 6.082797 
1 1 1   17   14   15 o  100.010   4.4975 -16.65691 8.995049 
1 1 1   17   14   16 o  146.453   2.8736 -0.8704987 5.747197 
1 1 1   17   14   17 o  200.100   2.4626 5.034760 4.925256 
1 1 1   17   14   18 o  276.328   2.4784 -1.579834 4.956740 
1 1 1   17   14   19 o  123.910   3.4109 3.135201 6.821700 
1 1 1   17   14   20 o  166.923   2.6364 7.991653 5.272889 
1 1 1   17   14   21 o  156.614   2.7932 -2.190063 5.586492 
1 1 1   17   14   22 o  145.469   3.7354 11.37749 7.470749 
1 1 1   17   14   23 o   37.141   8.8861 8.766232 17.77222 
1 1 1   17   14   24 o   18.622   6.5042 6.433795 13.00844 
1 1 1   17   14   25 o   27.388   8.3103 4.269386 16.62058 
1 1 1   17   14   26 o   46.495   8.7339 -6.336399 17.46789 
1 1 1   17   14   27 o   86.567   5.0723 -0.6848221 10.14466 
1 1 1   17   14   28 o  125.201   3.4922 -0.1377640 6.984430 
1 1 1   17   14   29 o   25.824   8.1513 -2.957739 16.30250 
1 1 1   17   14   30 f  105.005   4.4427 0.6922150E-01 8.885402 
1 1 1   17   14   31 o   29.290   8.5826 -3.623974 17.16524 
1 1 1   17   14   32 o   24.851   7.7499 -9.353001 15.49971 
1 1 1   17   15    0 o  208.719   3.3440 0.000000 0.000000 
1 1 1   17   15    1 o  377.938   2.3895 -3.934326 4.778943 
1 1 1   17   15    2 o  315.932   2.3629 12.74152 4.725805 
1 1 1   17   15    3 o  157.500   3.4161      ?      ? 
1 1 1   17   15    4 o  268.408   2.3873 -21.57593 4.774649 
1 1 1   17   15    5 o   79.048   5.5728 -32.92695 11.14551 
1 1 1   17   15    6 o  370.092   2.1802 -1.395508 4.360488 
1 1 1   17   15    7 o  669.894   3.5688 0.2910767 7.137697 
1 1 1   17   15    8 o   67.825   4.7974 -21.20945 9.594855 
1 1 1   17   15    9 o  297.794   1.9975 -3.509918 3.994968 
1 1 1   17   15   10 o  217.521   2.6131 6.573196 5.226194 
1 1 1   17   15   11 o   23.448   6.7948 -14.37844 13.58955 
1 1 1   17   15   12 f  238.963   1.9420 8.605499 3.883978 
1 1 1   17   15   13 o  226.588   2.0689 8.202850 4.137764 
1 1 1   17   15   14 o   97.932   4.1081 12.49360 8.216271 
1 1 1   17   15   15 o  207.915   2.3618 -2.553741 4.723611 
1 1 1   17   15   16 o   75.782   5.3089 7.454544 10.61774 
1 1 1   17   15   17 o  196.799   2.3760 1.561478 4.751930 
1 1 1   17   15   18 o  182.016   2.6041 2.145752 5.208294 
1 1 1   17   15   19 o   30.205   8.3545 -5.141703 16.70894 
1 1 1   17   15   20 o  167.357   2.7538 2.726242 5.507607 
1 1 1   17   15   21 o   30.360   8.4637 3.709146 16.92735 
1 1 1   17   15   22 o   96.819   3.9387 10.00562 7.877424 
1 1 1   17   15   23 o   29.420   8.0319 21.48133 16.06384 
1 1 1   17   15   24 o  114.621   3.8430 -3.705429 7.685974 
1 1 1   17   15   25 o   66.564   5.9649 2.507835 11.92981 
1 1 1   17   15   26 o  169.162   2.6593 3.663422 5.318657 
1 1 1   17   15   27 o  115.367   3.8339 3.897560 7.667775 
1 1 1   17   15   28 o   60.052   7.2647 5.927280 14.52938 
1 1 1   17   15   29 o   78.639   5.9038 -8.354546 11.80752 
1 1 1   17   15   30 o   29.614   9.0893 1.152958 18.17864 
1 1 1   17   15   31 o   28.645   8.1689 -5.092394 16.33783 
1 1 1   17   16    0 o  550.958   4.2168 0.000000 0.000000 
1 1 1   17   16    1 o  202.618   1.9735 -7.408936 3.946925 
1 1 1   17   16    2 o  306.959   1.9770 1.147186 3.954096 
1 1 1   17   16    3 o  297.591   1.9722 -2.307281 3.944315 
1 1 1   17   16    4 o  298.287   1.9892 -2.206940 3.978410 
1 1 1   17   16    5 o  217.938   1.9546 -5.485977 3.909202 
1 1 1   17   16    6 o  224.159   2.2198 1.261810 4.439505 
1 1 1   17   16    7 o  208.718   1.9653 -0.9544373E-01 3.930662 
1 1 1   17   16    8 o  126.457   3.9924 45.93906 7.984762 
1 1 1   17   16    9 o  404.565   2.3474 -1.355042 4.694838 
1 1 1   17   16   10 o   82.600   3.8220 -0.6186218 7.643907 
1 1 1   17   16   11 f  328.365   2.0765 -0.6623840 4.153087 
1 1 1   17   16   12 o   67.659   4.6115 4.238876 9.223015 
1 1 1   17   16   13 o  230.320   2.2695 1.525589 4.538988 
1 1 1   17   16   14 o  186.054   2.3969 6.089569 4.793718 
1 1 1   17   16   15 o  148.796   2.8284 2.153702 5.656842 
1 1 1   17   16   16 x  ?   ?       ?      ? 
1 1 1   17   16   17 o  144.278   2.9223 3.421341 5.844543 
1 1 1   17   16   18 o   56.306   6.8137 0.9675217 13.62743 
1 1 1   17   16   19 o   87.117   4.4413 13.04176 8.882624 
1 1 1   17   16   20 o  114.380   3.9266 1.361557 7.853188 
1 1 1   17   16   21 o  169.906   2.5749 -6.476929 5.149776 
1 1 1   17   16   22 o   59.760   6.9778 -11.15735 13.95555 
1 1 1   17   16   23 o  136.042   3.6425 -13.18951 7.285050 
1 1 1   17   16   24 o  215.028   2.2958 -3.479385 4.591535 
1 1 1   17   16   25 f   24.905   7.7342 12.15895 15.46831 
1 1 1   17   16   26 o   81.634   5.4978 -12.23192 10.99561 
1 1 1   17   16   27 o   72.491   5.8848 -13.92662 11.76962 
1 1 1   17   16   28 o   97.228   5.4450 4.674240 10.89000 
1 1 1   17   16   29 o   56.993   8.2098 6.216152 16.41955 
1 1 1   17   16   30 o   41.046   8.8813 7.548214 17.76266 
1 1 1   17   16   31 o   19.699   6.6757 0.8655510 13.35138 
1 1 1   17   17    0 o   45.678   10.911 0.000000 0.000000 
1 1 1   17   17    1 o  168.641   2.2119 1.903290 4.423769 
1 1 1   17   17    2 o  173.091   2.1912 -1.118362 4.382497 
1 1 1   17   17    3 f   97.272   3.6228 -18.85683 7.245537 
1 1 1   17   17    4 f  100.817   3.4643 -12.33274 6.928623 
1 1 1   17   17    5 f  331.347   2.3738 6.948090 4.747591 
1 1 1   17   17    6 o  522.479   2.8518 -4.011597 5.703594 
1 1 1   17   17    7 o   35.730   7.2572 -21.33394 14.51438 
1 1 1   17   17    8 o  326.945   2.0558 -0.6519470 4.111624 
1 1 1   17   17    9 o  298.116   2.0004 -2.847046 4.000879 
1 1 1   17   17   10 o  203.806   2.0145 5.271988 4.029086 
1 1 1   17   17   11 o  177.784   2.7158 -3.818863 5.431670 
1 1 1   17   17   12 o   45.603   6.7168 16.29498 13.43357 
1 1 1   17   17   13 o  255.921   2.1592 1.425720 4.318466 
1 1 1   17   17   14 o  101.356   3.7256 -1.590073 7.451212 
1 1 1   17   17   15 o  179.767   2.4792 7.453918 4.958483 
1 1 1   17   17   16 o   31.435   8.4549 10.27217 16.90975 
1 1 1   17   17   17 o  100.067   3.9921 -4.223991 7.984182 
1 1 1   17   17   18 o   86.907   5.1759 -11.14573 10.35173 
1 1 1   17   17   19 o  224.577   2.1661 -2.688080 4.332118 
1 1 1   17   17   20 o  156.021   2.6335 0.9022675 5.266986 
1 1 1   17   17   21 o   28.127   7.7012 25.00213 15.40235 
1 1 1   17   17   22 o   67.702   6.9731 42.34202 13.94618 
1 1 1   17   17   23 o   36.695   8.8014 9.106182 17.60288 
1 1 1   17   17   24 o   69.794   5.6491 -4.339218 11.29812 
1 1 1   17   17   25 o   86.962   4.7826 17.08299 9.565201 
1 1 1   17   17   26 o   28.323   8.6782 0.2816906 17.35640 
1 1 1   17   17   27 o   48.576   8.7391 4.679287 17.47829 
1 1 1   17   17   28 o  105.617   4.4040 -1.089195 8.807987 
1 1 1   17   17   29 o   34.012   8.9621 -1.603294 17.92414 
1 1 1   17   17   30 o   37.548   8.5361 14.39963 17.07220 
1 1 1   17   18    0 o  107.433   4.7090 0.000000 0.000000 
1 1 1   17   18    1 o  230.042   2.1482 -1.264603 4.296343 
1 1 1   17   18    2 o   20.001   6.7206 -4.403730 13.44115 
1 1 1   17   18    3 o  321.173   2.0605 2.360321 4.121045 
1 1 1   17   18    4 o  229.653   2.0594 -10.44705 4.118890 
1 1 1   17   18    5 o  147.243   2.4048 4.187408 4.809613 
1 1 1   17   18    6 o  233.682   1.9411 9.820206 3.882200 
1 1 1   17   18    7 o  118.094   2.8025 -0.8932724 5.605017 
1 1 1   17   18    8 o   80.151   4.0780 1.553802 8.156070 
1 1 1   17   18    9 o  192.619   2.0531 1.845581 4.106156 
1 1 1   17   18   10 o  111.656   4.2479 1.989822 8.495858 
1 1 1   17   18   11 o  192.515   2.6915 -3.929504 5.383053 
1 1 1   17   18   12 o  196.779   2.7712 4.123810 5.542441 
1 1 1   17   18   13 o  265.210   2.4806 -2.378204 4.961163 
1 1 1   17   18   14 o  163.870   2.6047 -0.4687042 5.209493 
1 1 1   17   18   15 o   71.545   4.9775 8.826729 9.954913 
1 1 1   17   18   16 o  252.616   2.1284 4.152939 4.256859 
1 1 1   17   18   17 o  128.744   2.9258 -2.004562 5.851599 
1 1 1   17   18   18 o  167.128   2.5463 4.320786 5.092557 
1 1 1   17   18   19 o   89.640   4.2252 -0.5881500E-01 8.450378 
1 1 1   17   18   20 o   44.119   7.8577 7.930073 15.71543 
1 1 1   17   18   21 o   55.813   6.7109 -6.336720 13.42185 
1 1 1   17   18   22 o  137.385   2.8874 -9.781357 5.774866 
1 1 1   17   18   23 o   78.529   5.0312 -5.157547 10.06244 
1 1 1   17   18   24 o   75.007   7.5885 -21.21700 15.17690 
1 1 1   17   18   25 o   39.803   8.8930 4.968513 17.78609 
1 1 1   17   18   26 o   77.304   5.4189 -15.99655 10.83778 
1 1 1   17   18   27 o   76.034   5.4514 -9.252274 10.90276 
1 1 1   17   18   28 o   36.387   8.8998 -5.485523 17.79965 
1 1 1   17   18   29 o   91.484   4.3793 6.057640 8.758587 
1 1 1   17   19    0 o  222.970   3.5442 0.000000 0.000000 
1 1 1   17   19    1 o  129.365   2.8093 -7.053383 5.618539 
1 1 1   17   19    2 o  425.155   2.4249 3.385040 4.849797 
1 1 1   17   19    3 o  200.280   2.0772 1.535721 4.154384 
1 1 1   17   19    4 o  197.629   2.0574 4.417648 4.114740 
1 1 1   17   19    5 o  213.506   2.1984 -0.6773071 4.396886 
1 1 1   17   19    6 o  114.907   4.6931 -12.61142 9.386236 
1 1 1   17   19    7 o  174.336   2.9725 7.879669 5.944981 
1 1 1   17   19    8 o  253.168   2.4061 3.997849 4.812116 
1 1 1   17   19    9 o  152.235   3.1107 4.394012 6.221447 
1 1 1   17   19   10 o  208.426   2.6192 0.5990448 5.238487 
1 1 1   17   19   11 o  220.334   2.5565 0.5502319E-01 5.113060 
1 1 1   17   19   12 o  154.589   3.1724 -4.347397 6.344787 
1 1 1   17   19   13 o   66.218   6.9324 -6.768559 13.86490 
1 1 1   17   19   14 o  122.864   3.9021 -9.609818 7.804269 
1 1 1   17   19   15 o   70.966   6.3026 0.2954865E-01 12.60514 
1 1 1   17   19   16 f   41.893   7.5710 -6.099907 15.14196 
1 1 1   17   19   17 o  233.105   2.1022 6.182587 4.204490 
1 1 1   17   19   18 o   80.101   4.2475 5.788872 8.495043 
1 1 1   17   19   19 o  201.189   2.2612 -2.016724 4.522341 
1 1 1   17   19   20 o   51.576   7.5028 -13.83186 15.00555 
1 1 1   17   19   21 o   49.614   7.3780 -25.28802 14.75592 
1 1 1   17   19   22 o   82.817   5.8800 24.05420 11.75995 
1 1 1   17   19   23 o  106.570   3.6014 -3.455879 7.202773 
1 1 1   17   19   24 o  168.938   2.5878 -8.027786 5.175631 
1 1 1   17   19   25 o   64.876   6.5350 -18.23183 13.06992 
1 1 1   17   19   26 o  101.030   3.9972 2.567123 7.994428 
1 1 1   17   19   27 o   34.778   9.1157 0.3197174 18.23142 
1 1 1   17   19   28 o   98.475   4.3114 -8.593178 8.622790 
1 1 1   17   19   29 o   65.824   6.5192 -37.61788 13.03832 
1 1 1   17   20    0 o  273.411   2.8314 0.000000 0.000000 
1 1 1   17   20    1 o   71.620   5.4741 7.380318 10.94823 
1 1 1   17   20    2 o  318.088   2.0675 -0.3005371 4.135004 
1 1 1   17   20    3 o   90.883   3.8126 -3.682129 7.625112 
1 1 1   17   20    4 o  192.202   2.0937 3.722260 4.187385 
1 1 1   17   20    5 o   53.040   6.5832 19.29186 13.16646 
1 1 1   17   20    6 o   81.410   4.4092 11.04808 8.818482 
1 1 1   17   20    7 o  147.781   2.9785 -2.030609 5.956909 
1 1 1   17   20    8 o   42.817   9.2560 -11.58612 18.51193 
1 1 1   17   20    9 o  240.403   2.4322 2.631790 4.864353 
1 1 1   17   20   10 o   47.817   9.1706 8.668476 18.34119 
1 1 1   17   20   11 o  124.120   3.7950 -3.086884 7.589967 
1 1 1   17   20   12 o  185.776   2.6928 -2.665146 5.385692 
1 1 1   17   20   13 o  194.515   2.6590 2.830612 5.318062 
1 1 1   17   20   14 f  178.740   2.6934 -7.212555 5.386867 
1 1 1   17   20   15 o  220.248   2.5287 1.692856 5.057397 
1 1 1   17   20   16 o   80.246   5.4425 0.7447433 10.88494 
1 1 1   17   20   17 o  158.797   2.9973 0.6408386 5.994572 
1 1 1   17   20   18 o  141.892   2.5862 3.724075 5.172397 
1 1 1   17   20   19 o   22.098   7.0309 4.930508 14.06174 
1 1 1   17   20   20 o   72.310   5.3283      ?      ? 
1 1 1   17   20   21 o   55.701   6.5069 17.38279 13.01379 
1 1 1   17   20   22 o  114.249   3.3779 -5.235344 6.755842 
1 1 1   17   20   23 o   89.830   5.3916 -17.85441 10.78320 
1 1 1   17   20   24 o  173.060   2.5429 0.8403168 5.085764 
1 1 1   17   20   25 o   56.990   7.4115 -40.74092 14.82301 
1 1 1   17   20   26 o   52.139   8.1727 1.022526 16.34550 
1 1 1   17   20   27 o   57.789   7.0794 10.29896 14.15876 
1 1 1   17   20   28 o   34.734   8.9398 -0.2663994 17.87960 
1 1 1   17   21    0 o  134.063   3.9590 0.000000 0.000000 
1 1 1   17   21    1 f   37.011   8.3823 5.223507 16.76465 
1 1 1   17   21    2 o   50.487   7.1013 -0.6851845 14.20260 
1 1 1   17   21    3 o  310.528   2.0470 -5.655212 4.094032 
1 1 1   17   21    4 o  149.896   2.5101 4.145020 5.020265 
1 1 1   17   21    5 o  328.908   2.0868 -1.930359 4.173617 
1 1 1   17   21    6 o  229.159   1.9951 -0.8071594 3.990113 
1 1 1   17   21    7 o   39.982   8.9415 20.87996 17.88301 
1 1 1   17   21    8 o   78.184   5.7078 -17.75747 11.41551 
1 1 1   17   21    9 o  108.219   4.3255 -7.845016 8.650949 
1 1 1   17   21   10 o  114.607   4.0140 -5.405090 8.028034 
1 1 1   17   21   11 o   50.455   8.6842 6.490749 17.36833 
1 1 1   17   21   12 o  225.234   2.5059 6.854919 5.011702 
1 1 1   17   21   13 o  181.048   2.7639 -8.948059 5.527792 
1 1 1   17   21   14 f  202.546   2.4999 -1.801239 4.999841 
1 1 1   17   21   15 o   23.177   7.4686 -8.293997 14.93714 
1 1 1   17   21   16 o   57.001   7.4987 -5.453300 14.99741 
1 1 1   17   21   17 o   91.959   4.7442 11.20238 9.488327 
1 1 1   17   21   18 o   67.115   8.5041 3.977890 17.00813 
1 1 1   17   21   19 o   58.889   7.7036 -17.23587 15.40715 
1 1 1   17   21   20 o   99.733   3.4041 1.140846 6.808238 
1 1 1   17   21   21 o   58.869   5.7681 11.43911 11.53624 
1 1 1   17   21   22 o  124.693   3.1174 9.452568 6.234761 
1 1 1   17   21   23 f  240.982   2.2615 -1.066071 4.523057 
1 1 1   17   21   24 o   46.415   8.4773 6.291027 16.95465 
1 1 1   17   21   25 o   32.184   8.6763 0.5167294 17.35256 
1 1 1   17   21   26 o   48.778   7.8833 -17.28786 15.76663 
1 1 1   17   21   27 o   66.052   5.7187 25.08611 11.43741 
1 1 1   17   22    0 o   60.012   9.5788 0.000000 0.000000 
1 1 1   17   22    1 o  108.621   3.2724 5.650467 6.544724 
1 1 1   17   22    2 o  163.108   2.3773 3.945999 4.754604 
1 1 1   17   22    3 o  206.640   2.0807 1.314911 4.161312 
1 1 1   17   22    4 o  142.468   2.6198 -6.680145 5.239519 
1 1 1   17   22    5 f   50.520   7.0703 -8.441399 14.14059 
1 1 1   17   22    6 o   58.248   7.6880 -25.30003 15.37593 
1 1 1   17   22    7 o   39.866   9.0195 -17.33961 18.03904 
1 1 1   17   22    8 o  118.643   3.6889 -2.946960 7.377728 
1 1 1   17   22    9 o   85.804   5.1214 -8.895935 10.24279 
1 1 1   17   22   10 o  196.112   2.5653 2.209518 5.130634 
1 1 1   17   22   11 o   25.510   7.9945 0.1908360 15.98906 
1 1 1   17   22   12 o   36.323   8.3518 -19.50209 16.70351 
1 1 1   17   22   13 o   25.632   8.0025 -1.724123 16.00494 
1 1 1   17   22   14 o   99.892   4.3201 4.516563 8.640293 
1 1 1   17   22   15 o   46.688   7.8263 -32.09747 15.65254 
1 1 1   17   22   16 o   77.443   7.6562 -26.88365 15.31249 
1 1 1   17   22   17 o   85.927   6.1683 15.16553 12.33659 
1 1 1   17   22   18 o   50.410   8.4133 -1.110878 16.82653 
1 1 1   17   22   19 o   91.087   5.1578 1.142426 10.31567 
1 1 1   17   22   20 o  144.402   3.4397 10.44496 6.879491 
1 1 1   17   22   21 o   96.705   3.6954 9.407944 7.390809 
1 1 1   17   22   22 o   59.060   6.7060 -8.242622 13.41209 
1 1 1   17   22   23 o  138.502   2.8495 0.8507690 5.699026 
1 1 1   17   22   24 f   45.899   7.8656 -13.50374 15.73116 
1 1 1   17   22   25 o  100.606   3.9577 -5.522659 7.915405 
1 1 1   17   22   26 o   30.934   8.2001 18.20150 16.40026 
1 1 1   17   22   27 x  ?   ?       ?      ? 
1 1 1   17   23    0 o   79.561   6.6408 0.000000 0.000000 
1 1 1   17   23    1 o  203.302   2.0806 2.172714 4.161132 
1 1 1   17   23    2 o  141.408   2.6670 3.236877 5.333941 
1 1 1   17   23    3 o  180.801   2.1973 -3.072952 4.394524 
1 1 1   17   23    4 o   43.761   7.3427 -11.81654 14.68543 
1 1 1   17   23    5 o   81.150   4.0232 5.764153 8.046450 
1 1 1   17   23    6 o  212.637   2.4767 1.163391 4.953308 
1 1 1   17   23    7 o   29.930   8.5438 11.24268 17.08758 
1 1 1   17   23    8 o   93.076   4.3841 10.58549 8.768216 
1 1 1   17   23    9 o  169.224   2.7781 -3.896179 5.556180 
1 1 1   17   23   10 o   22.719   7.4380 -2.627617 14.87591 
1 1 1   17   23   11 o   55.444   7.8087 10.70483 15.61743 
1 1 1   17   23   12 o   85.625   5.1059 -20.16869 10.21186 
1 1 1   17   23   13 o  116.793   3.5603 -1.031906 7.120609 
1 1 1   17   23   14 o  125.121   4.8033      ?      ? 
1 1 1   17   23   15 o  116.305   3.7573 1.113602 7.514585 
1 1 1   17   23   16 o  103.580   4.2321 -2.837776 8.464161 
1 1 1   17   23   17 o   68.103   6.5455 -3.994133 13.09096 
1 1 1   17   23   18 o   21.892   7.1905 9.408115 14.38093 
1 1 1   17   23   19 o   81.535   5.2464 -4.692612 10.49281 
1 1 1   17   23   20 o  129.960   4.8956 18.98479 9.791211 
1 1 1   17   23   21 o  149.029   3.2619 5.859894 6.523783 
1 1 1   17   23   22 o   85.019   4.3473 -1.468018 8.694615 
1 1 1   17   23   23 f   34.760   8.5628 9.499954 17.12554 
1 1 1   17   23   24 f   58.326   6.3229 15.70651 12.64573 
1 1 1   17   23   25 o   25.114   7.5349 -4.189264 15.06980 
1 1 1   17   23   26 o   15.338   5.4416 2.041463 10.88328 
1 1 1   17   24    0 o   84.831   6.1802 0.000000 0.000000 
1 1 1   17   24    1 o  137.719   2.6609 -10.23238 5.321885 
1 1 1   17   24    2 o   78.080   4.3152 -0.1897888 8.630347 
1 1 1   17   24    3 o   96.742   3.4287 2.876083 6.857477 
1 1 1   17   24    4 o   87.354   3.7910 1.217201 7.582094 
1 1 1   17   24    5 o   98.413   3.3309 -0.2362061E-01 6.661866 
1 1 1   17   24    6 o  103.631   4.1124 -3.498405 8.224826 
1 1 1   17   24    7 o   45.084   8.7871 10.59407 17.57412 
1 1 1   17   24    8 o   50.948   7.9113 -21.94886 15.82254 
1 1 1   17   24    9 o   34.424   8.9694 -1.078560 17.93880 
1 1 1   17   24   10 o  107.782   3.7612 -0.2376556E-01 7.522386 
1 1 1   17   24   11 f   36.810   8.9608 -4.934353 17.92163 
1 1 1   17   24   12 o   32.896   9.5769 4.616758 19.15385 
1 1 1   17   24   13 o  146.895   3.1188 -8.322357 6.237545 
1 1 1   17   24   14 f  119.440   3.7111 -9.662590 7.422253 
1 1 1   17   24   15 o  207.241   2.5757 -0.1760559 5.151312 
1 1 1   17   24   16 o   67.099   6.2087 3.425690 12.41736 
1 1 1   17   24   17 o   46.349   8.9797 2.090206 17.95935 
1 1 1   17   24   18 o   64.912   8.4883 -12.07085 16.97664 
1 1 1   17   24   19 o   89.704   4.7633 -3.827728 9.526587 
1 1 1   17   24   20 o   80.947   5.3642 0.7936859E-01 10.72844 
1 1 1   17   24   21 o  171.711   3.0705 4.659454 6.140903 
1 1 1   17   24   22 o   64.895   7.5866 -16.16986 15.17311 
1 1 1   17   24   23 o  140.012   2.8230 15.59258 5.646075 
1 1 1   17   24   24 o   31.630   8.3924 11.65283 16.78479 
1 1 1   17   24   25 o   37.557   8.0883 -25.07236 16.17660 
1 1 1   17   25    0 f   51.615   11.251 0.000000 0.000000 
1 1 1   17   25    1 o   59.373   5.7099 1.142258 11.41980 
1 1 1   17   25    2 o   92.197   3.6010 0.9728394 7.201943 
1 1 1   17   25    3 o  101.964   3.3607 9.111961 6.721412 
1 1 1   17   25    4 o  132.473   2.6366 -4.035706 5.273282 
1 1 1   17   25    5 o  150.572   2.7209 -3.825348 5.441847 
1 1 1   17   25    6 f   91.817   4.7491 -21.36707 9.498106 
1 1 1   17   25    7 o  111.944   3.6320 -3.243416 7.263963 
1 1 1   17   25    8 o  124.049   3.3834 8.601768 6.766871 
1 1 1   17   25    9 o  130.948   3.2543 1.693802 6.508593 
1 1 1   17   25   10 o   96.895   5.3639 4.552116 10.72787 
1 1 1   17   25   11 o   56.745   8.9180 -5.717331 17.83601 
1 1 1   17   25   12 o  143.146   3.8322 -23.60173 7.664479 
1 1 1   17   25   13 o   80.995   5.4018 6.553078 10.80365 
1 1 1   17   25   14 o   28.626   8.0063 -17.19212 16.01264 
1 1 1   17   25   15 o   37.768   8.8898 12.80831 17.77965 
1 1 1   17   25   16 o  114.825   4.7296 8.854469 9.459203 
1 1 1   17   25   17 o   79.537   5.2763 -0.3173523 10.55260 
1 1 1   17   25   18 o   34.869   8.9177 -13.21049 17.83547 
1 1 1   17   25   19 f  100.580   4.5228 15.68246 9.045517 
1 1 1   17   25   20 o  100.176   4.4989 -4.290375 8.997820 
1 1 1   17   25   21 o   53.958   8.2063 -20.78369 16.41251 
1 1 1   17   25   22 f   33.308   8.7661 18.67795 17.53218 
1 1 1   17   25   23 o   31.572   8.8324 16.40617 17.66486 
1 1 1   17   25   24 o   16.818   6.0314 -1.614641 12.06279 
1 1 1   17   26    0 o   64.564   8.2499 0.000000 0.000000 
1 1 1   17   26    1 o   22.430   7.0473 -6.978090 14.09465 
1 1 1   17   26    2 f   22.484   7.1101 -2.628662 14.22012 
1 1 1   17   26    3 o  137.472   2.5863 -7.210190 5.172644 
1 1 1   17   26    4 o   90.957   3.7084 -0.9945297 7.416744 
1 1 1   17   26    5 o  115.515   3.0534 -2.297134 6.106876 
1 1 1   17   26    6 o   89.013   4.6054 -0.7306595 9.210896 
1 1 1   17   26    7 o   60.175   6.8726 -10.93867 13.74512 
1 1 1   17   26    8 o   33.977   9.5228 -1.390312 19.04563 
1 1 1   17   26    9 f  106.715   5.3544 64.95081 10.70873 
1 1 1   17   26   10 o   38.158   9.0460 6.809490 18.09206 
1 1 1   17   26   11 o   32.838   8.8905 3.884209 17.78100 
1 1 1   17   26   12 o  164.534   2.7480 -8.368454 5.496092 
1 1 1   17   26   13 o  135.458   3.2789 2.872772 6.557716 
1 1 1   17   26   14 o   32.335   9.4671 -7.453161 18.93422 
1 1 1   17   26   15 o   25.399   7.8236 -12.61324 15.64722 
1 1 1   17   26   16 o   79.743   5.4183 -4.945122 10.83663 
1 1 1   17   26   17 o   41.137   9.0888 0.2902107 18.17768 
1 1 1   17   26   18 o   29.028   8.6905 -4.075567 17.38108 
1 1 1   17   26   19 o   25.715   8.2126 -0.7494202 16.42522 
1 1 1   17   26   20 o   91.407   5.3958 -10.83202 10.79167 
1 1 1   17   26   21 o   67.239   7.6631 -12.39521 15.32624 
1 1 1   17   26   22 o   37.425   9.3859 -15.71215 18.77174 
1 1 1   17   27    0 o   15.638   7.8439 0.000000 0.000000 
1 1 1   17   27    1 o  118.486   2.9872 -10.21679 5.974431 
1 1 1   17   27    2 o  124.024   2.8540 2.902466 5.707927 
1 1 1   17   27    3 o  116.406   3.0155 1.460541 6.030985 
1 1 1   17   27    4 o  214.809   2.0492 0.7838287 4.098476 
1 1 1   17   27    5 o  199.499   4.7599      ?      ? 
1 1 1   17   27    6 f  158.472   3.0731 3.301270 6.146137 
1 1 1   17   27    7 o   19.728   6.7001 8.665341 13.40015 
1 1 1   17   27    8 o   22.235   7.3563 -4.697994 14.71262 
1 1 1   17   27    9 o  100.231   4.0519 -7.725922 8.103780 
1 1 1   17   27   10 f   99.087   4.1795 2.953102 8.358939 
1 1 1   17   27   11 o  113.056   3.6960 0.2326202E-01 7.391917 
1 1 1   17   27   12 o   42.647   9.6419 8.335464 19.28385 
1 1 1   17   27   13 o   68.661   5.8902 -3.422447 11.78044 
1 1 1   17   27   14 o   83.908   5.2126 -23.73790 10.42513 
1 1 1   17   27   15 o   77.360   5.4346 9.608940 10.86911 
1 1 1   17   27   16 o   58.355   7.6884 7.428715 15.37680 
1 1 1   17   27   17 o   22.419   7.4942 -1.392124 14.98838 
1 1 1   17   27   18 o   35.810   9.3100 6.733047 18.61994 
1 1 1   17   27   19 o   51.399   9.2296 -9.594013 18.45915 
1 1 1   17   27   20 o   61.065   8.3104 -7.848160 16.62073 
1 1 1   17   27   21 o   54.091   9.1041 9.624924 18.20826 
1 1 1   17   28    0 o   12.399   6.4709 0.000000 0.000000 
1 1 1   17   28    1 o   40.687   7.7743 -15.61879 15.54866 
1 1 1   17   28    2 o   58.237   5.9813 3.554005 11.96256 
1 1 1   17   28    3 o   87.015   3.8285 -3.266617 7.656984 
1 1 1   17   28    4 o  110.619   3.0709 5.878815 6.141768 
1 1 1   17   28    5 o  174.436   2.3174 -1.474609 4.634767 
1 1 1   17   28    6 o   79.792   5.2969 8.005875 10.59383 
1 1 1   17   28    7 o   62.581   6.4479 -8.175762 12.89586 
1 1 1   17   28    8 o   24.933   7.8940 1.263538 15.78800 
1 1 1   17   28    9 o   22.279   7.3323 5.241760 14.66456 
1 1 1   17   28   10 o  171.930   2.8020 9.079269 5.604096 
1 1 1   17   28   11 o  104.162   4.0474 0.6330109 8.094844 
1 1 1   17   28   12 o   23.260   7.6095 2.114546 15.21899 
1 1 1   17   28   13 o   84.210   4.8393 2.437851 9.678622 
1 1 1   17   28   14 o   59.492   7.2985 -5.152248 14.59702 
1 1 1   17   28   15 o   84.758   5.0593 5.137718 10.11859 
1 1 1   17   28   16 o   84.784   5.3133 9.955811 10.62653 
1 1 1   17   28   17 o   42.804   9.3212 19.61721 18.64239 
1 1 1   17   28   18 o   90.778   5.8424 4.372986 11.68476 
1 1 1   17   28   19 o   30.029   8.9980 -5.400681 17.99600 
1 1 1   17   28   20 o   60.178   8.1353 -11.75909 16.27070 
1 1 1   17   29    0 o   77.016   6.8199 0.000000 0.000000 
1 1 1   17   29    1 o   51.740   6.9817 17.30470 13.96343 
1 1 1   17   29    2 o   82.580   4.0486 -6.088264 8.097136 
1 1 1   17   29    3 o   27.816   7.5832 3.041925 15.16645 
1 1 1   17   29    4 o   31.133   7.1772 -36.10503 14.35444 
1 1 1   17   29    5 o   45.010   7.6980 -30.34197 15.39590 
1 1 1   17   29    6 o   96.387   4.3621 -6.774162 8.724218 
1 1 1   17   29    7 o   45.821   9.1004 19.54494 18.20073 
1 1 1   17   29    8 o   55.452   7.7204 13.47502 15.44086 
1 1 1   17   29    9 o   27.741   8.3798 3.844633 16.75956 
1 1 1   17   29   10 o   35.645   8.7670 -17.00080 17.53408 
1 1 1   17   29   11 o   31.339   8.6423 9.243305 17.28461 
1 1 1   17   29   12 o   52.984   8.2575 0.2990761 16.51491 
1 1 1   17   29   13 o   30.953   8.7413 -10.05348 17.48269 
1 1 1   17   29   14 o   80.875   5.6599 16.60255 11.31973 
1 1 1   17   29   15 o   72.227   6.4960 2.376694 12.99205 
1 1 1   17   29   16 o   28.755   8.8288 6.928911 17.65751 
1 1 1   17   29   17 o   82.422   5.8484 2.569237 11.69686 
1 1 1   17   29   18 o   31.470   8.8009 15.04270 17.60170 
1 1 1   17   30    0 f   24.085   10.554 0.000000 0.000000 
1 1 1   17   30    1 o   60.038   5.4833 -11.36895 10.96665 
1 1 1   17   30    2 o   36.682   7.9551 7.007286 15.91018 
1 1 1   17   30    3 f   47.783   7.6732 -6.478401 15.34640 
1 1 1   17   30    4 o   32.248   8.0379 -0.1894035 16.07590 
1 1 1   17   30    5 o   87.589   5.0320 1.944466 10.06393 
1 1 1   17   30    6 o   53.715   7.8313 -13.08083 15.66258 
1 1 1   17   30    7 o   27.390   8.1445 -10.69522 16.28891 
1 1 1   17   30    8 o   63.631   7.1559 19.83102 14.31189 
1 1 1   17   30    9 o   28.918   8.5348 -5.271288 17.06963 
1 1 1   17   30   10 o   27.372   8.4643 4.564404 16.92852 
1 1 1   17   30   11 o   24.355   7.8484 -5.234110 15.69670 
1 1 1   17   30   12 o   81.117   5.7499 2.182846 11.49977 
1 1 1   17   30   13 o   82.637   5.6752 -1.033485 11.35042 
1 1 1   17   30   14 o   66.831   6.9996 2.953133 13.99914 
1 1 1   17   30   15 o   30.455   8.6685 -14.95820 17.33695 
1 1 1   17   30   16 o   26.131   8.2667 4.421366 16.53338 
1 1 1   17   30   17 x  ?   ?       ?      ? 
1 1 1   17   31    0 o  112.381   4.6186 0.000000 0.000000 
1 1 1   17   31    1 o   19.181   6.3956 1.120932 12.79114 
1 1 1   17   31    2 o   48.492   6.7512 7.655697 13.50236 
1 1 1   17   31    3 o   28.921   8.1878 -6.687147 16.37551 
1 1 1   17   31    4 o   91.504   3.8951 -7.614960 7.790114 
1 1 1   17   31    5 o   28.525   8.0535 -0.7948494 16.10692 
1 1 1   17   31    6 o   30.146   8.3022 -14.68579 16.60430 
1 1 1   17   31    7 o   54.139   8.0101 9.987488 16.02021 
1 1 1   17   31    8 o   60.465   7.4533 1.717960 14.90664 
1 1 1   17   31    9 f   29.719   8.6777 9.316565 17.35534 
1 1 1   17   31   10 o   74.106   6.2687 4.204185 12.53740 
1 1 1   17   31   11 f   78.998   6.2864 21.24408 12.57276 
1 1 1   17   31   12 o   47.824   8.7833 -26.16587 17.56656 
1 1 1   17   31   13 o   40.869   8.1395 -30.57489 16.27907 
1 1 1   17   31   14 f   65.855   6.8151 6.344238 13.63020 
1 1 1   17   31   15 x  ?   ?       ?      ? 
1 1 1   17   32    0 o   14.478   7.3783 0.000000 0.000000 
1 1 1   17   32    1 o   90.013   3.6729 1.169594 7.345746 
1 1 1   17   32    2 o   20.977   6.7404 -11.57978 13.48076 
1 1 1   17   32    3 o   42.207   7.5178 -18.76282 15.03559 
1 1 1   17   32    4 o   27.837   7.7354 -9.323776 15.47073 
1 1 1   17   32    5 o   18.587   6.3960 -9.280640 12.79191 
1 1 1   17   32    6 o   40.284   9.8302 1.116493 19.66041 
1 1 1   17   32    7 o   37.249   9.4790 -1.189232 18.95805 
1 1 1   17   32    8 o   37.630   9.2201 17.77764 18.44022 
1 1 1   17   32    9 o   31.047   9.0975 -1.424458 18.19495 
1 1 1   17   32   10 o   31.022   9.2418 -5.382732 18.48362 
1 1 1   17   32   11 o   28.200   8.5835 2.607523 17.16692 
1 1 1   17   32   12 o   38.795   7.8702 -34.41404 15.74043 
1 1 1   17   33    0 o   42.057   12.258 0.000000 0.000000 
1 1 1   17   33    1 o   79.078   4.0658 6.886734 8.131529 
1 1 1   17   33    2 o   75.744   4.7846 -13.98682 9.569244 
1 1 1   17   33    3 o   83.780   4.0654 3.749802 8.130802 
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1 1 1   17   34    4 x  ?   ?       ?      ? 
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1 1 1   18    7   11 f  535.362   2.8986 -4.027405 5.797168 
1 1 1   18    7   12 o  269.568   2.5816 -0.3323059 5.163236 
1 1 1   18    7   13 o  167.188   2.4161 -1.901703 4.832127 
1 1 1   18    7   14 o  233.062   2.0523 5.309311 4.104535 
1 1 1   18    7   15 o  430.974   2.7079 -3.224091 5.415813 
1 1 1   18    7   16 o  214.019   2.4309 -4.032578 4.861774 
1 1 1   18    7   17 o  170.541   2.5463 -0.5149841E-01 5.092648 
1 1 1   18    7   18 o  159.501   2.9828 5.154083 5.965608 
1 1 1   18    7   19 o  383.395   2.3653 -3.832581 4.730626 
1 1 1   18    7   20 o  238.700   2.4108 -0.1507568E-01 4.821540 
1 1 1   18    7   21 o  104.416   4.3629 -1.871857 8.725901 
1 1 1   18    7   22 o  169.343   2.8812 7.202164 5.762490 
1 1 1   18    7   23 o  193.233   2.5850 0.4466095 5.170026 
1 1 1   18    7   24 o  121.370   3.7090 0.9577103 7.417983 
1 1 1   18    7   25 o  164.991   3.1795 12.74327 6.358936 
1 1 1   18    7   26 o  177.717   2.8483 2.458435 5.696544 
1 1 1   18    7   27 o  110.779   4.2999 -5.862137 8.599702 
1 1 1   18    7   28 o   55.924   8.2751 23.61202 16.55015 
1 1 1   18    7   29 o   29.409   8.7154 0.9769440 17.43085 
1 1 1   18    7   30 o   33.031   8.9131 -12.91731 17.82622 
1 1 1   18    7   31 f   29.773   8.6965 -10.74310 17.39305 
1 1 1   18    7   32 o   74.862   6.3310 9.200134 12.66192 
1 1 1   18    7   33 o   28.736   8.4970 -4.913206 16.99398 
1 1 1   18    8    0 o   14.051   6.8786 0.000000 0.000000 
1 1 1   18    8    1 o  201.588   1.7782 -0.1442566 3.556316 
1 1 1   18    8    2 o  223.188   1.5979 3.384720 3.195797 
1 1 1   18    8    3 o  518.513   2.7690 -1.393616 5.538046 
1 1 1   18    8    4 o  549.205   2.9236 1.755005 5.847135 
1 1 1   18    8    5 o  325.677   1.9145 3.323608 3.828914 
1 1 1   18    8    6 o  474.568   2.7739 -0.3300476 5.547800 
1 1 1   18    8    7 f  227.961   1.8756 -9.149796 3.751117 
1 1 1   18    8    8 o  244.130   2.3272 26.52417 4.654323 
1 1 1   18    8    9 o  174.585   2.2382 -11.21620 4.476352 
1 1 1   18    8   10 o  398.105   2.2734 3.782959 4.546722 
1 1 1   18    8   11 f  580.258   3.1247 -5.132385 6.249326 
1 1 1   18    8   12 o  212.644   2.3196 8.910522 4.639202 
1 1 1   18    8   13 o  146.555   2.5125 6.135559 5.025021 
1 1 1   18    8   14 f  182.321   2.3058 3.376923 4.611525 
1 1 1   18    8   15 o  266.185   2.2226 -2.411407 4.445241 
1 1 1   18    8   16 o  137.043   3.0162 -5.393936 6.032483 
1 1 1   18    8   17 o  465.221   2.6351 -3.258301 5.270184 
1 1 1   18    8   18 f  423.916   2.4862 -0.3784180E-02 4.972359 
1 1 1   18    8   19 o  264.796   2.3693 4.886993 4.738664 
1 1 1   18    8   20 o   26.597   8.3942 5.435654 16.78846 
1 1 1   18    8   21 o  206.009   2.5532 1.481110 5.106314 
1 1 1   18    8   22 o   41.218   8.2424 -25.08661 16.48474 
1 1 1   18    8   23 o  120.122   3.6176 -4.158493 7.235136 
1 1 1   18    8   24 o   94.575   4.6123 5.557808 9.224644 
1 1 1   18    8   25 f  158.040   2.7176 -5.191864 5.435234 
1 1 1   18    8   26 o  126.388   4.1997 -19.23872 8.399426 
1 1 1   18    8   27 o   84.983   5.4387 -4.727158 10.87734 
1 1 1   18    8   28 o  151.995   3.1253 -8.622040 6.250520 
1 1 1   18    8   29 f   59.076   7.8369 18.65817 15.67382 
1 1 1   18    8   30 o   45.120   9.3396 11.45424 18.67911 
1 1 1   18    8   31 o   31.297   8.9205 7.321970 17.84092 
1 1 1   18    8   32 o   27.155   8.5317 0.4559364 17.06347 
1 1 1   18    8   33 o   38.912   8.9718 5.475338 17.94368 
1 1 1   18    9    0 o  289.478   2.4803 0.000000 0.000000 
1 1 1   18    9    1 o  278.335   1.8922 -3.169525 3.784363 
1 1 1   18    9    2 o  440.927   2.5895 -1.231293 5.178910 
1 1 1   18    9    3 o  220.080   1.7573 6.196777 3.514647 
1 1 1   18    9    4 o  419.135   2.3057 0.4060669 4.611437 
1 1 1   18    9    5 o  253.093   1.9156 -4.768723 3.831171 
1 1 1   18    9    6 o  297.203   1.9921 -6.030243 3.984261 
1 1 1   18    9    7 o  523.630   3.2524 5.626465 6.504876 
1 1 1   18    9    8 o  216.735   1.9855 -3.887131 3.971062 
1 1 1   18    9    9 o  392.822   2.2469 0.1227722 4.493844 
1 1 1   18    9   10 o  597.351   3.2043 -0.8415527 6.408543 
1 1 1   18    9   11 f  217.421   4.2194      ?      ? 
1 1 1   18    9   12 o  225.255   1.9910 2.493225 3.981975 
1 1 1   18    9   13 f  368.257   2.2225 0.6767883 4.444932 
1 1 1   18    9   14 o  181.756   3.1898 -2.901703 6.379683 
1 1 1   18    9   15 f  261.962   2.1032 -3.048431 4.206460 
1 1 1   18    9   16 o  263.537   2.0639 0.4804688 4.127875 
1 1 1   18    9   17 o   86.988   4.7374 -1.935638 9.474807 
1 1 1   18    9   18 o  152.904   2.8713 -1.333527 5.742692 
1 1 1   18    9   19 o  132.667   3.8261 30.75965 7.652297 
1 1 1   18    9   20 o  211.970   2.4692 -4.542816 4.938351 
1 1 1   18    9   21 o  164.114   2.8236 -2.655319 5.647217 
1 1 1   18    9   22 o  129.454   3.3173 12.38755 6.634651 
1 1 1   18    9   23 o  127.331   3.2434 4.651276 6.486781 
1 1 1   18    9   24 o  117.610   3.4999 6.723427 6.999730 
1 1 1   18    9   25 o   84.314   4.8776 -2.050430 9.755163 
1 1 1   18    9   26 o  146.570   3.0874 -3.876022 6.174757 
1 1 1   18    9   27 o  267.800   2.3148 -5.024841 4.629568 
1 1 1   18    9   28 o  140.144   3.3356 -1.495010 6.671183 
1 1 1   18    9   29 o   34.569   9.0439 -13.45247 18.08786 
1 1 1   18    9   30 o   92.219   4.9552 9.474014 9.910432 
1 1 1   18    9   31 o   57.622   8.0529 -2.264923 16.10585 
1 1 1   18    9   32 o   23.599   7.7809 -1.386158 15.56176 
1 1 1   18    9   33 o   41.239   9.0361 2.497734 18.07214 
1 1 1   18   10    0 o  113.429   3.2675 0.000000 0.000000 
1 1 1   18   10    1 o  343.599   1.9890 2.938934 3.977942 
1 1 1   18   10    2 o   55.416   5.1267 -17.56328 10.25344 
1 1 1   18   10    3 o  433.859   2.3816 -2.250427 4.763178 
1 1 1   18   10    4 o  474.452   2.5788 -2.898529 5.157683 
1 1 1   18   10    5 o  347.872   2.5993 20.02481 5.198570 
1 1 1   18   10    6 o  183.934   2.0254 2.345505 4.050867 
1 1 1   18   10    7 o  157.939   2.1910 -12.93785 4.381950 
1 1 1   18   10    8 o  470.489   2.5831 -0.2236023 5.166103 
1 1 1   18   10    9 o  434.147   2.4398 2.472900 4.879636 
1 1 1   18   10   10 o  291.265   2.7977 10.65903 5.595325 
1 1 1   18   10   11 o  335.096   2.0949 -1.204712 4.189823 
1 1 1   18   10   12 o  268.899   1.9743 -0.7757874 3.948657 
1 1 1   18   10   13 o  218.812   2.0766 3.029663 4.153273 
1 1 1   18   10   14 o  244.603   2.0982 -0.7997131 4.196358 
1 1 1   18   10   15 o  127.933   3.0595 8.699997 6.119046 
1 1 1   18   10   16 o  188.642   2.3183 6.131943 4.636601 
1 1 1   18   10   17 o  168.399   2.5561 -1.317871 5.112231 
1 1 1   18   10   18 o  191.739   2.4244 3.111664 4.848790 
1 1 1   18   10   19 o  258.374   2.3094 -3.325134 4.618857 
1 1 1   18   10   20 o   45.596   9.2804 9.265213 18.56075 
1 1 1   18   10   21 o   73.621   5.8890 16.28841 11.77800 
1 1 1   18   10   22 o  144.002   3.1353 -3.314575 6.270587 
1 1 1   18   10   23 o   23.238   7.4584 -4.637545 14.91685 
1 1 1   18   10   24 o   89.701   4.6811 6.814423 9.362222 
1 1 1   18   10   25 f   51.337   8.2525 -8.514950 16.50509 
1 1 1   18   10   26 o   30.893   8.8988 -0.7023716 17.79767 
1 1 1   18   10   27 o   78.079   5.8404 1.640266 11.68071 
1 1 1   18   10   28 o  156.722   2.9944 4.380295 5.988841 
1 1 1   18   10   29 o   99.442   4.6312 1.667694 9.262308 
1 1 1   18   10   30 o   59.798   7.9690 -17.59615 15.93806 
1 1 1   18   10   31 o   70.941   6.5748 2.334747 13.14953 
1 1 1   18   10   32 o   48.540   8.6095 -16.52467 17.21900 
1 1 1   18   10   33 x  ?   ?       ?      ? 
1 1 1   18   11    0 o  211.554   2.5453 0.000000 0.000000 
1 1 1   18   11    1 o  346.086   2.3419 -14.38208 4.683749 
1 1 1   18   11    2 o  635.199   3.3710 -5.583374 6.741972 
1 1 1   18   11    3 o  147.650   2.5664 -3.024872 5.132848 
1 1 1   18   11    4 o  239.094   2.0099 -1.075928 4.019734 
1 1 1   18   11    5 o  262.488   1.9287 -5.434631 3.857459 
1 1 1   18   11    6 o  288.036   1.8757 -2.341797 3.751364 
1 1 1   18   11    7 o  220.601   1.8365 -4.956055 3.672961 
1 1 1   18   11    8 o   94.678   3.4212 -11.96544 6.842494 
1 1 1   18   11    9 o  241.746   2.7360 28.01346 5.471971 
1 1 1   18   11   10 o  466.677   2.5896 -1.144958 5.179170 
1 1 1   18   11   11 o  202.370   2.0442 2.018021 4.088332 
1 1 1   18   11   12 o  142.533   2.6337 -1.859512 5.267396 
1 1 1   18   11   13 o  390.315   2.3178 2.165985 4.635512 
1 1 1   18   11   14 o  141.397   2.7691 -3.548538 5.538183 
1 1 1   18   11   15 o  134.671   2.8266 5.661545 5.653139 
1 1 1   18   11   16 o  157.458   2.6132 2.748581 5.226481 
1 1 1   18   11   17 o  241.501   2.1517 -1.745224 4.303320 
1 1 1   18   11   18 o  189.339   2.6667 -4.022247 5.333448 
1 1 1   18   11   19 o   76.132   5.5970 -0.6620178 11.19398 
1 1 1   18   11   20 f  222.371   2.5514 -0.2380371E-02 5.102862 
1 1 1   18   11   21 o  235.569   2.3225 1.392776 4.644988 
1 1 1   18   11   22 o  106.963   4.0837 6.342964 8.167316 
1 1 1   18   11   23 o   95.684   4.4847 2.686363 8.969499 
1 1 1   18   11   24 o  161.528   2.8686 4.329361 5.737227 
1 1 1   18   11   25 o   77.357   6.5906 -4.347595 13.18117 
1 1 1   18   11   26 o   83.875   5.0138 -2.419327 10.02755 
1 1 1   18   11   27 o  125.659   3.4675 -6.611862 6.934907 
1 1 1   18   11   28 o   84.839   5.9498 2.221291 11.89966 
1 1 1   18   11   29 o   30.804   8.8498 13.75450 17.69959 
1 1 1   18   11   30 o   42.116   9.5718 4.652912 19.14355 
1 1 1   18   11   31 o   41.102   9.6182 -6.515846 19.23641 
1 1 1   18   11   32 o   40.021   8.9053 -10.19810 17.81056 
1 1 1   18   12    0 o   48.595   9.0967 0.000000 0.000000 
1 1 1   18   12    1 o  708.664   3.7478 -3.782898 7.495564 
1 1 1   18   12    2 o  135.109   2.4770 10.03510 4.953970 
1 1 1   18   12    3 o  564.541   3.2643 -2.944946 6.528660 
1 1 1   18   12    4 o  548.875   2.9469 -1.058105 5.893830 
1 1 1   18   12    5 o  241.874   1.8308 -0.2610016 3.661681 
1 1 1   18   12    6 o  270.677   1.8789 6.552673 3.757857 
1 1 1   18   12    7 o  225.269   2.8937      ?      ? 
1 1 1   18   12    8 o  441.083   2.6578 2.071991 5.315693 
1 1 1   18   12    9 o   22.255   7.0195 2.550388 14.03902 
1 1 1   18   12   10 o  251.738   1.9348 -3.468582 3.869647 
1 1 1   18   12   11 o  280.609   2.0110 4.836914 4.022090 
1 1 1   18   12   12 o  342.134   2.1738 -2.731018 4.347521 
1 1 1   18   12   13 o  238.872   2.0684 0.5729980 4.136863 
1 1 1   18   12   14 o  201.779   2.1674 1.613358 4.334751 
1 1 1   18   12   15 o  158.141   2.6808 6.834961 5.361542 
1 1 1   18   12   16 o  166.392   2.4651 -4.495941 4.930249 
1 1 1   18   12   17 f  136.107   3.2769 0.8639679 6.553802 
1 1 1   18   12   18 o  407.367   2.5474 3.003143 5.094862 
1 1 1   18   12   19 o  291.741   2.2569 2.179474 4.513789 
1 1 1   18   12   20 o   23.539   7.4759 -6.402134 14.95180 
1 1 1   18   12   21 o   77.155   5.8198 4.092506 11.63960 
1 1 1   18   12   22 o   28.345   8.1856 -5.169596 16.37116 
1 1 1   18   12   23 o   36.922   8.6579 14.11359 17.31579 
1 1 1   18   12   24 f   80.244   5.1445 -9.334267 10.28893 
1 1 1   18   12   25 o  141.402   3.0008 6.114105 6.001651 
1 1 1   18   12   26 o   47.528   8.3026 4.806999 16.60516 
1 1 1   18   12   27 o   34.294   8.9860 -3.000381 17.97202 
1 1 1   18   12   28 o   31.726   9.4453 7.461710 18.89066 
1 1 1   18   12   29 o  100.356   4.5239 -2.268578 9.047787 
1 1 1   18   12   30 o   30.510   8.9428 -2.904654 17.88556 
1 1 1   18   12   31 o   21.647   7.2968 -0.2176552 14.59356 
1 1 1   18   12   32 f   50.793   7.8900 -28.32385 15.78002 
1 1 1   18   13    0 o   68.072   6.5903 0.000000 0.000000 
1 1 1   18   13    1 o  316.607   1.9664 -2.126251 3.932834 
1 1 1   18   13    2 o  321.857   2.0038 -2.831390 4.007688 
1 1 1   18   13    3 o  224.805   1.9088 2.329971 3.817562 
1 1 1   18   13    4 o  282.510   2.0768 1.618713 4.153691 
1 1 1   18   13    5 o  263.898   2.4918 17.63405 4.983629 
1 1 1   18   13    6 o  378.447   2.3830 -7.278015 4.766076 
1 1 1   18   13    7 o  336.105   2.0621 2.387299 4.124178 
1 1 1   18   13    8 o  193.440   1.9948 3.700882 3.989516 
1 1 1   18   13    9 o  555.027   3.0036 5.230591 6.007113 
1 1 1   18   13   10 o   77.098   6.5874 65.19437 13.17477 
1 1 1   18   13   11 o  105.568   3.4364 -14.87154 6.872798 
1 1 1   18   13   12 o  232.363   2.0639 1.788361 4.127854 
1 1 1   18   13   13 o   85.433   4.1671 -2.999878 8.334235 
1 1 1   18   13   14 o  400.164   2.3670 1.810455 4.733945 
1 1 1   18   13   15 o  162.421   2.4501 3.889618 4.900216 
1 1 1   18   13   16 o   96.463   3.9793 -15.18388 7.958522 
1 1 1   18   13   17 o   80.355   5.2531 8.399864 10.50624 
1 1 1   18   13   18 o  197.015   2.5052 -6.211456 5.010451 
1 1 1   18   13   19 o   60.111   7.0923 19.62562 14.18456 
1 1 1   18   13   20 o   25.888   8.0192 10.69485 16.03841 
1 1 1   18   13   21 o  131.209   3.1524 2.886398 6.304893 
1 1 1   18   13   22 o  101.180   4.2121 7.625435 8.424271 
1 1 1   18   13   23 o  113.005   3.5353 9.539398 7.070590 
1 1 1   18   13   24 o  109.470   3.6410 6.361763 7.281909 
1 1 1   18   13   25 f   91.627   4.5294 -1.109764 9.058732 
1 1 1   18   13   26 o   46.675   8.6387 -9.489716 17.27732 
1 1 1   18   13   27 o  115.691   3.8933 7.913651 7.786645 
1 1 1   18   13   28 o  109.257   4.2567 7.977631 8.513339 
1 1 1   18   13   29 o  106.043   4.2817 -7.160034 8.563404 
1 1 1   18   13   30 o  134.040   3.5205 -3.325531 7.041007 
1 1 1   18   13   31 o   34.115   8.8948 5.563749 17.78965 
1 1 1   18   14    0 o  375.146   4.4337 0.000000 0.000000 
1 1 1   18   14    1 o  373.724   2.5378 7.409363 5.075639 
1 1 1   18   14    2 o  116.333   3.0119 1.389175 6.023881 
1 1 1   18   14    3 o  304.524   1.9862 -0.9595642 3.972401 
1 1 1   18   14    4 o  159.980   2.3300 -4.637146 4.660092 
1 1 1   18   14    5 f  491.637   2.6951 1.363892 5.390229 
1 1 1   18   14    6 o  201.191   1.9683 -9.170853 3.936563 
1 1 1   18   14    7 o  113.698   3.4084 -4.192192 6.816735 
1 1 1   18   14    8 o  130.197   2.6423 -5.814728 5.284601 
1 1 1   18   14    9 o  216.153   2.7063 -18.88756 5.412568 
1 1 1   18   14   10 o  227.721   1.9891 -3.343582 3.978102 
1 1 1   18   14   11 o  371.746   2.3783 6.898041 4.756641 
1 1 1   18   14   12 o  190.774   2.1595 -1.044693 4.318910 
1 1 1   18   14   13 o  302.085   2.5064 -3.629944 5.012845 
1 1 1   18   14   14 o  239.156   2.0958 5.657059 4.191630 
1 1 1   18   14   15 o  131.076   3.1590 3.890320 6.317932 
1 1 1   18   14   16 o  215.288   2.3901 0.5664673 4.780220 
1 1 1   18   14   17 o  135.691   3.1777 7.791901 6.355350 
1 1 1   18   14   18 o  229.728   2.2518 0.9031219 4.503631 
1 1 1   18   14   19 o  245.407   2.1989 -1.761948 4.397764 
1 1 1   18   14   20 o  111.301   3.7931 -2.515495 7.586132 
1 1 1   18   14   21 o   82.938   5.2218 -11.04147 10.44367 
1 1 1   18   14   22 o  162.249   2.7196 -9.126770 5.439138 
1 1 1   18   14   23 o  162.991   3.2106 11.27803 6.421109 
1 1 1   18   14   24 o   24.874   7.9221 11.01515 15.84414 
1 1 1   18   14   25 o   44.535   8.7570 13.70263 17.51405 
1 1 1   18   14   26 o  116.693   3.7819 -0.3640289 7.563704 
1 1 1   18   14   27 o   50.847   8.0421 -36.49779 16.08412 
1 1 1   18   14   28 o  102.860   4.4614 -3.204765 8.922897 
1 1 1   18   14   29 o   34.240   9.1412 11.97103 18.28238 
1 1 1   18   14   30 o   25.381   8.0070 10.08390 16.01406 
1 1 1   18   14   31 o   83.754   5.2527 4.149506 10.50543 
1 1 1   18   15    0 o   33.691   9.3911 0.000000 0.000000 
1 1 1   18   15    1 o  280.682   1.8918 -6.196686 3.783520 
1 1 1   18   15    2 o  177.538   2.0765 1.876282 4.153095 
1 1 1   18   15    3 o   42.889   7.3031 -0.9167404 14.60614 
1 1 1   18   15    4 o  226.234   1.9191 0.1226044 3.838145 
1 1 1   18   15    5 o  370.477   2.1815 1.591949 4.363011 
1 1 1   18   15    6 o  439.040   2.4687 -0.5890198 4.937457 
1 1 1   18   15    7 o  304.038   2.2695 3.506287 4.538964 
1 1 1   18   15    8 o   23.064   7.2651 5.974014 14.53014 
1 1 1   18   15    9 o  354.129   2.1506 -3.091858 4.301194 
1 1 1   18   15   10 o  287.799   1.9691 1.129303 3.938267 
1 1 1   18   15   11 o  267.184   1.9664 5.183350 3.932819 
1 1 1   18   15   12 o  297.130   2.0154 1.269379 4.030821 
1 1 1   18   15   13 o   96.967   3.5925 2.041756 7.184960 
1 1 1   18   15   14 o  148.923   2.5273 -2.944321 5.054517 
1 1 1   18   15   15 o  150.470   3.0187 0.4070892 6.037427 
1 1 1   18   15   16 o  158.082   2.6501 3.129242 5.300206 
1 1 1   18   15   17 o  436.116   2.6368 0.1585693 5.273535 
1 1 1   18   15   18 o  135.260   3.1371 -7.826385 6.274261 
1 1 1   18   15   19 o  133.925   2.9870 0.5444183 5.974084 
1 1 1   18   15   20 o  144.072   2.7904 1.292145 5.580778 
1 1 1   18   15   21 f   31.735   8.5715 2.489344 17.14297 
1 1 1   18   15   22 o  162.622   2.8804 4.327927 5.760891 
1 1 1   18   15   23 o  227.834   2.2737 -6.876801 4.547431 
1 1 1   18   15   24 o   52.898   7.7002 -2.651096 15.40035 
1 1 1   18   15   25 o   27.303   8.0597 -5.108517 16.11945 
1 1 1   18   15   26 o   86.506   4.6659 0.2384949E-01 9.331783 
1 1 1   18   15   27 o   35.531   8.5388 -12.81384 17.07760 
1 1 1   18   15   28 o   80.819   5.6122 -11.26191 11.22450 
1 1 1   18   15   29 o   30.903   8.9423 2.797663 17.88455 
1 1 1   18   15   30 o   47.463   8.2361 -8.254356 16.47226 
1 1 1   18   16    0 o  106.252   5.0232 0.000000 0.000000 
1 1 1   18   16    1 o  220.459   2.0848 4.108826 4.169503 
1 1 1   18   16    2 o  305.384   2.0103 -1.340240 4.020596 
1 1 1   18   16    3 f  145.869   2.8670 54.67760 5.733929 
1 1 1   18   16    4 o  154.538   2.6490 21.23224 5.297990 
1 1 1   18   16    5 o  106.531   3.1624 9.890030 6.324835 
1 1 1   18   16    6 o  202.952   2.1025 -9.972046 4.205043 
1 1 1   18   16    7 o  173.210   2.0650 -12.43245 4.130033 
1 1 1   18   16    8 o  137.803   2.4409 -3.551880 4.881782 
1 1 1   18   16    9 o  350.920   2.1454 3.471558 4.290858 
1 1 1   18   16   10 o  193.805   2.0303 -1.743027 4.060593 
1 1 1   18   16   11 o  222.144   1.9701 5.802231 3.940203 
1 1 1   18   16   12 o  187.861   2.1141 1.241013 4.228140 
1 1 1   18   16   13 o  184.814   2.0795 4.384079 4.159083 
1 1 1   18   16   14 o  188.833   2.1016 6.091843 4.203236 
1 1 1   18   16   15 o   51.763   7.6837 -7.583740 15.36749 
1 1 1   18   16   16 o  295.922   2.2047 6.785034 4.409373 
1 1 1   18   16   17 o  197.657   2.3743 1.480240 4.748589 
1 1 1   18   16   18 o  139.047   2.9918 2.331009 5.983641 
1 1 1   18   16   19 o  165.873   2.6309 -6.085999 5.261879 
1 1 1   18   16   20 o   80.498   4.7126 -2.749130 9.425138 
1 1 1   18   16   21 o   48.132   7.7405 5.958839 15.48096 
1 1 1   18   16   22 o  129.354   3.7594 -15.13555 7.518886 
1 1 1   18   16   23 o   46.493   8.1892 4.027470 16.37838 
1 1 1   18   16   24 o  172.407   2.5163 3.451813 5.032628 
1 1 1   18   16   25 o   28.196   8.3021 4.435701 16.60413 
1 1 1   18   16   26 o   67.557   5.7976 20.04087 11.59520 
1 1 1   18   16   27 f   40.761   8.9084 -13.43531 17.81684 
1 1 1   18   16   28 o   89.526   4.8416 -6.906898 9.683181 
1 1 1   18   16   29 o   51.544   8.0839 26.67869 16.16777 
1 1 1   18   16   30 o   33.532   8.2367 -12.52773 16.47336 
1 1 1   18   17    0 o  417.351   3.3918 0.000000 0.000000 
1 1 1   18   17    1 o  283.775   2.0020 -0.9177551 4.004032 
1 1 1   18   17    2 o  226.569   1.9922 5.351334 3.984310 
1 1 1   18   17    3 o  200.240   2.0842 1.696976 4.168471 
1 1 1   18   17    4 o  308.353   2.0312 4.563934 4.062406 
1 1 1   18   17    5 o   40.112   7.6025 -15.25266 15.20493 
1 1 1   18   17    6 o  170.289   2.1475 1.353500 4.295053 
1 1 1   18   17    7 o  244.166   1.9231 -2.176682 3.846196 
1 1 1   18   17    8 o  244.600   2.2036 -9.376465 4.407173 
1 1 1   18   17    9 o  156.834   2.5710 -5.302063 5.142065 
1 1 1   18   17   10 o  382.271   2.2629 -1.338837 4.525860 
1 1 1   18   17   11 o  216.537   1.9873 3.765488 3.974609 
1 1 1   18   17   12 o  257.198   1.9640 1.232666 3.927986 
1 1 1   18   17   13 o  258.704   1.9582 10.84004 3.916411 
1 1 1   18   17   14 o  195.262   2.3189 -6.348862 4.637877 
1 1 1   18   17   15 o   45.074   7.7664 24.65243 15.53283 
1 1 1   18   17   16 o  477.002   2.7866 -0.3601685 5.573176 
1 1 1   18   17   17 o  251.465   2.1408 1.660858 4.281661 
1 1 1   18   17   18 o  139.498   2.7903 -3.281265 5.580655 
1 1 1   18   17   19 o   56.638   6.8294 -4.069260 13.65872 
1 1 1   18   17   20 o   48.988   7.8664 0.2698364 15.73288 
1 1 1   18   17   21 o   87.194   7.1845 -57.06438 14.36908 
1 1 1   18   17   22 o   44.177   8.5939 5.660652 17.18789 
1 1 1   18   17   23 o  202.884   2.3112 2.309509 4.622420 
1 1 1   18   17   24 o   48.261   8.0361 -10.18141 16.07219 
1 1 1   18   17   25 o   64.919   6.3923 -10.37012 12.78463 
1 1 1   18   17   26 o   33.266   8.8139 1.010345 17.62772 
1 1 1   18   17   27 f   53.361   8.5134 -6.013123 17.02684 
1 1 1   18   17   28 o   29.087   8.5036 16.70277 17.00727 
1 1 1   18   17   29 o   53.591   7.6139 -17.35234 15.22781 
1 1 1   18   18    0 o  461.453   3.6339 0.000000 0.000000 
1 1 1   18   18    1 o  349.347   2.1293 2.343475 4.258683 
1 1 1   18   18    2 o   92.066   3.9517 -3.664970 7.903377 
1 1 1   18   18    3 o   26.693   7.7967 -3.034628 15.59343 
1 1 1   18   18    4 o  156.820   2.3143 5.782425 4.628642 
1 1 1   18   18    5 o  259.613   1.9393 -6.186798 3.878626 
1 1 1   18   18    6 o  195.701   3.0286 15.01588 6.057104 
1 1 1   18   18    7 o  163.077   2.2208 10.91261 4.441619 
1 1 1   18   18    8 o  278.379   1.9879 2.311981 3.975862 
1 1 1   18   18    9 f  134.516   2.5444 15.78580 5.088747 
1 1 1   18   18   10 o   55.581   5.9116 -18.65177 11.82318 
1 1 1   18   18   11 o  214.089   1.9655 -1.306519 3.930976 
1 1 1   18   18   12 o  218.090   1.9302 6.225830 3.860336 
1 1 1   18   18   13 o  107.155   3.7223 -6.495163 7.444582 
1 1 1   18   18   14 o   82.670   4.4585 -4.860771 8.916987 
1 1 1   18   18   15 o  308.172   2.1847 0.4244995 4.369410 
1 1 1   18   18   16 o   90.533   3.8931 13.22382 7.786123 
1 1 1   18   18   17 o   92.127   3.9628 1.693756 7.925584 
1 1 1   18   18   18 o  169.174   2.3896 -2.186188 4.779179 
1 1 1   18   18   19 o  136.270   2.7721 -3.276718 5.544236 
1 1 1   18   18   20 o   83.329   4.5660 6.465569 9.131940 
1 1 1   18   18   21 o   66.766   5.6881 4.820885 11.37622 
1 1 1   18   18   22 o   60.865   6.4905 13.30485 12.98106 
1 1 1   18   18   23 o   73.310   5.5633 -5.169647 11.12660 
1 1 1   18   18   24 o  174.461   2.5411 2.066208 5.082231 
1 1 1   18   18   25 o   75.425   5.3137 12.62708 10.62744 
1 1 1   18   18   26 o   73.413   5.8925 -2.086525 11.78503 
1 1 1   18   18   27 o   44.312   8.8679 1.500984 17.73586 
1 1 1   18   18   28 o   67.507   6.1159 6.037193 12.23178 
1 1 1   18   18   29 f   29.297   8.3730 5.354006 16.74607 
1 1 1   18   19    0 o  330.771   2.9671 0.000000 0.000000 
1 1 1   18   19    1 f  320.987   2.0687 1.772064 4.137379 
1 1 1   18   19    2 o   71.320   4.9057 -7.744415 9.811484 
1 1 1   18   19    3 o  185.348   2.1477 5.521072 4.295307 
1 1 1   18   19    4 o  262.415   1.9642 -0.4428711 3.928400 
1 1 1   18   19    5 o  104.886   3.2154 -11.03156 6.430833 
1 1 1   18   19    6 o   46.882   7.1145 -3.998768 14.22894 
1 1 1   18   19    7 o  178.386   2.1255 11.50687 4.250932 
1 1 1   18   19    8 o  139.561   2.4045 2.261124 4.808984 
1 1 1   18   19    9 o  273.928   1.9519 -1.771149 3.903700 
1 1 1   18   19   10 o  239.993   2.4728 -0.8592987 4.945549 
1 1 1   18   19   11 o  273.896   2.4797 3.309937 4.959484 
1 1 1   18   19   12 o  126.993   3.4658 5.639442 6.931564 
1 1 1   18   19   13 o  129.239   3.6217 6.809265 7.243371 
1 1 1   18   19   14 o  273.689   2.4131 -0.9304504 4.826174 
1 1 1   18   19   15 o   32.585   8.0316 2.861511 16.06312 
1 1 1   18   19   16 o   36.985   8.3687 7.745670 16.73733 
1 1 1   18   19   17 o   50.995   6.7712 5.641571 13.54233 
1 1 1   18   19   18 o  122.793   3.0299 1.667313 6.059887 
1 1 1   18   19   19 o   16.276   5.7177 2.933094 11.43546 
1 1 1   18   19   20 o   71.795   5.0362 -4.150978 10.07232 
1 1 1   18   19   21 o   21.757   6.9608 -2.415760 13.92166 
1 1 1   18   19   22 o   26.132   7.7879 -0.6346836 15.57577 
1 1 1   18   19   23 o  114.655   3.5484 8.792320 7.096744 
1 1 1   18   19   24 o   64.699   6.5803 -11.67086 13.16061 
1 1 1   18   19   25 o  155.259   2.8776 -3.123383 5.755112 
1 1 1   18   19   26 o   62.049   6.8811 -10.30766 13.76230 
1 1 1   18   19   27 o   28.338   8.4778 10.22417 16.95553 
1 1 1   18   19   28 o   28.826   8.6328 12.28848 17.26558 
1 1 1   18   20    0 o   13.151   6.8701 0.000000 0.000000 
1 1 1   18   20    1 o  142.359   2.5664 1.908798 5.132825 
1 1 1   18   20    2 o  151.234   2.8964 3.783005 5.792711 
1 1 1   18   20    3 f  319.512   2.0712 0.8472290 4.142497 
1 1 1   18   20    4 o   60.573   5.5212 6.555264 11.04248 
1 1 1   18   20    5 o  234.020   1.9602 3.101959 3.920475 
1 1 1   18   20    6 f  331.054   2.1002 -3.561676 4.200487 
1 1 1   18   20    7 o  181.468   2.1116 8.039825 4.223250 
1 1 1   18   20    8 o  180.628   2.5467 2.509048 5.093481 
1 1 1   18   20    9 o  305.821   2.4870 5.674347 4.974077 
1 1 1   18   20   10 o  190.158   2.7413 -1.623154 5.482565 
1 1 1   18   20   11 o  255.757   2.4248 6.390350 4.849544 
1 1 1   18   20   12 o  103.222   4.1395 3.542107 8.278903 
1 1 1   18   20   13 o   78.963   5.3635 13.21978 10.72702 
1 1 1   18   20   14 f  135.531   3.3023 7.491074 6.604594 
1 1 1   18   20   15 o  129.262   3.4297 -10.70021 6.859489 
1 1 1   18   20   16 f   29.428   8.5578 -7.898327 17.11569 
1 1 1   18   20   17 o  114.870   3.6911 -7.675323 7.382117 
1 1 1   18   20   18 o   92.638   4.7596 37.25306 9.519145 
1 1 1   18   20   19 o   37.681   7.9957 27.15092 15.99132 
1 1 1   18   20   20 o   62.697   6.1444 -7.520397 12.28874 
1 1 1   18   20   21 f   75.377   4.7301 13.35642 9.460124 
1 1 1   18   20   22 f   39.626   9.5449 -1.412716 19.08983 
1 1 1   18   20   23 o   44.437   8.1293 3.004028 16.25864 
1 1 1   18   20   24 o  110.117   3.7015 -2.449615 7.402905 
1 1 1   18   20   25 o  146.955   2.8889 -3.528641 5.777894 
1 1 1   18   20   26 o   25.084   7.8089 6.036222 15.61785 
1 1 1   18   20   27 o   80.665   5.3772 31.29978 10.75437 
1 1 1   18   21    0 o   86.176   5.9888 0.000000 0.000000 
1 1 1   18   21    1 o   43.937   7.6790 10.39162 15.35806 
1 1 1   18   21    2 o  332.460   2.1150 -1.099579 4.229984 
1 1 1   18   21    3 o  268.974   1.9968 1.192322 3.993605 
1 1 1   18   21    4 o   62.695   5.4446 8.306297 10.88923 
1 1 1   18   21    5 f   52.784   6.5649 14.13121 13.12970 
1 1 1   18   21    6 o  193.356   2.0520 3.438293 4.104092 
1 1 1   18   21    7 o   86.753   3.6232 -0.9926071 7.246426 
1 1 1   18   21    8 o  159.747   2.8713 2.238281 5.742685 
1 1 1   18   21    9 o  194.218   2.6041 2.176941 5.208252 
1 1 1   18   21   10 o  199.423   2.5389 -3.585068 5.077700 
1 1 1   18   21   11 o  178.541   2.6634 1.069595 5.326859 
1 1 1   18   21   12 o  119.907   3.7902 -3.320580 7.580369 
1 1 1   18   21   13 o  189.206   2.5815 1.385406 5.162907 
1 1 1   18   21   14 o   20.430   6.9333 7.616430 13.86653 
1 1 1   18   21   15 o   27.281   8.2303 0.8814678 16.46054 
1 1 1   18   21   16 o   44.506   8.8597 9.420746 17.71942 
1 1 1   18   21   17 o  106.969   4.4233 -21.77198 8.846616 
1 1 1   18   21   18 o   73.175   5.6161 -4.162895 11.23225 
1 1 1   18   21   19 o   47.611   6.9394 2.297588 13.87883 
1 1 1   18   21   20 o   26.425   7.3539 -6.397102 14.70784 
1 1 1   18   21   21 o   28.672   8.4772 11.77304 16.95448 
1 1 1   18   21   22 o   59.962   7.0497 -3.163635 14.09948 
1 1 1   18   21   23 f   83.827   4.5778 3.147560 9.155640 
1 1 1   18   21   24 o   47.994   7.9195 -1.129978 15.83894 
1 1 1   18   21   25 o   21.471   7.1604 4.481880 14.32088 
1 1 1   18   21   26 o   28.858   8.0046 -6.550358 16.00915 
1 1 1   18   21   27 x  ?   ?       ?      ? 
1 1 1   18   22    0 o  132.455   4.0145 0.000000 0.000000 
1 1 1   18   22    1 o  138.229   2.5911 -0.4076996 5.182106 
1 1 1   18   22    2 o   24.779   7.4197 4.598293 14.83937 
1 1 1   18   22    3 o  123.904   2.7523 -3.193092 5.504522 
1 1 1   18   22    4 o  139.705   2.4961 2.295349 4.992119 
1 1 1   18   22    5 o   48.320   6.7706 20.79214 13.54130 
1 1 1   18   22    6 o   89.580   3.5062 1.597313 7.012345 
1 1 1   18   22    7 o   98.727   4.3849 -1.468140 8.769726 
1 1 1   18   22    8 o  124.924   3.4324 -2.960945 6.864738 
1 1 1   18   22    9 o  108.825   4.0485 6.777290 8.097059 
1 1 1   18   22   10 o  142.408   3.0948 -4.152679 6.189594 
1 1 1   18   22   11 o  158.655   2.8296 -0.7248535 5.659153 
1 1 1   18   22   12 o  149.378   3.0050 0.2937927 6.010067 
1 1 1   18   22   13 o   27.740   8.2796 -3.635096 16.55921 
1 1 1   18   22   14 o   36.188   9.0285 4.791409 18.05698 
1 1 1   18   22   15 o   51.836   8.1516 -17.46115 16.30315 
1 1 1   18   22   16 o   36.437   8.6735 14.75543 17.34691 
1 1 1   18   22   17 o   41.580   9.0164 14.21158 18.03289 
1 1 1   18   22   18 o   22.451   7.4520 3.159199 14.90400 
1 1 1   18   22   19 o   64.495   6.4739 7.614082 12.94774 
1 1 1   18   22   20 o   45.479   8.8895 -1.190136 17.77898 
1 1 1   18   22   21 o   30.150   7.8935 -2.620871 15.78707 
1 1 1   18   22   22 o  119.496   3.3300 4.573441 6.660064 
1 1 1   18   22   23 f   80.497   5.0264 7.832245 10.05278 
1 1 1   18   22   24 o   37.726   8.7724 12.43201 17.54481 
1 1 1   18   22   25 o   75.685   5.3918 -6.243134 10.78368 
1 1 1   18   22   26 o   28.143   7.7861 -7.928339 15.57215 
1 1 1   18   23    0 o   57.564   9.7691 0.000000 0.000000 
1 1 1   18   23    1 o   68.116   4.8752 -0.3377762 9.750481 
1 1 1   18   23    2 o  182.121   2.0836 -0.4373169E-01 4.167291 
1 1 1   18   23    3 o   63.175   5.1554 -10.44349 10.31085 
1 1 1   18   23    4 o  114.010   3.2203 0.4900665 6.440530 
1 1 1   18   23    5 o   50.291   6.8453 -11.57685 13.69059 
1 1 1   18   23    6 o   91.553   3.4178 -15.46258 6.835552 
1 1 1   18   23    7 o   51.477   8.0904 3.516232 16.18084 
1 1 1   18   23    8 o   93.518   4.2678 6.012375 8.535506 
1 1 1   18   23    9 o   42.836   8.8837 5.327686 17.76740 
1 1 1   18   23   10 o   85.218   4.7645 -2.061333 9.529023 
1 1 1   18   23   11 o   63.429   6.7276 -15.69855 13.45522 
1 1 1   18   23   12 f   30.860   8.7624 0.5158958 17.52476 
1 1 1   18   23   13 o   26.470   8.1662 0.8298187 16.33230 
1 1 1   18   23   14 o   75.529   5.3675 -4.944122 10.73504 
1 1 1   18   23   15 o   90.402   6.0422 -9.257919 12.08440 
1 1 1   18   23   16 o   45.539   7.8905 30.88465 15.78091 
1 1 1   18   23   17 o   51.261   7.9879 -15.61738 15.97580 
1 1 1   18   23   18 o   59.643   7.3398 -8.618011 14.67956 
1 1 1   18   23   19 o   65.456   7.2093 -16.89449 14.41852 
1 1 1   18   23   20 o   60.223   7.5801 16.26928 15.16022 
1 1 1   18   23   21 o  108.442   5.2044 -5.808800 10.40873 
1 1 1   18   23   22 o   27.554   7.7781 1.456062 15.55623 
1 1 1   18   23   23 o   96.137   4.0977 -4.467857 8.195422 
1 1 1   18   23   24 o   34.268   8.5474 0.2201843 17.09482 
1 1 1   18   23   25 o   85.786   4.8735 -10.31759 9.747060 
1 1 1   18   24    0 o   16.022   7.9956 0.000000 0.000000 
1 1 1   18   24    1 o   57.726   5.9792 -18.05009 11.95843 
1 1 1   18   24    2 o  113.839   2.9577 17.45954 5.915404 
1 1 1   18   24    3 o   69.034   4.8405 -11.46823 9.680979 
1 1 1   18   24    4 f   25.268   7.1803 9.499435 14.36062 
1 1 1   18   24    5 o  128.130   2.5975 8.104942 5.195056 
1 1 1   18   24    6 o  125.864   3.3486 -5.789047 6.697175 
1 1 1   18   24    7 o   76.597   5.2185 8.884277 10.43704 
1 1 1   18   24    8 o   55.894   7.4587 -2.742382 14.91744 
1 1 1   18   24    9 o  197.338   2.4841 -2.488205 4.968189 
1 1 1   18   24   10 o   28.401   7.8755 17.78288 15.75099 
1 1 1   18   24   11 o   79.374   5.2277 -11.58755 10.45547 
1 1 1   18   24   12 o  132.744   3.2386 7.430099 6.477258 
1 1 1   18   24   13 o   22.213   7.6254 3.751062 15.25073 
1 1 1   18   24   14 o   43.428   8.6672 16.98112 17.33431 
1 1 1   18   24   15 o   48.534   8.5290 3.188103 17.05803 
1 1 1   18   24   16 o  111.924   3.8748 -2.116745 7.749547 
1 1 1   18   24   17 o  101.724   4.6683 -2.493111 9.336550 
1 1 1   18   24   18 o   50.550   8.0866 -29.72094 16.17326 
1 1 1   18   24   19 o   30.513   9.3888 -6.515011 18.77750 
1 1 1   18   24   20 o   53.281   8.6584 -15.55112 17.31674 
1 1 1   18   24   21 o   47.405   9.1111 -11.30281 18.22222 
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1 1 1   18   24   23 o   84.265   5.5537 -2.660263 11.10746 
1 1 1   18   24   24 o   29.007   7.9281 16.63070 15.85612 
1 1 1   18   25    0 o   85.639   5.5351 0.000000 0.000000 
1 1 1   18   25    1 o   30.445   8.0209 5.232317 16.04183 
1 1 1   18   25    2 o  125.231   2.7857 8.164581 5.571322 
1 1 1   18   25    3 o  114.658   2.9814 4.155273 5.962895 
1 1 1   18   25    4 o  102.291   3.2159 -9.510590 6.431876 
1 1 1   18   25    5 o  107.633   2.9213 -3.441162 5.842576 
1 1 1   18   25    6 o   57.742   7.2465 -16.11428 14.49298 
1 1 1   18   25    7 o  110.657   3.7736 -1.306664 7.547254 
1 1 1   18   25    8 o   68.165   6.0305 13.33345 12.06107 
1 1 1   18   25    9 o   63.449   6.5286 10.08435 13.05719 
1 1 1   18   25   10 o  128.270   3.6630 18.47653 7.326058 
1 1 1   18   25   11 o   41.611   9.9216 -1.661476 19.84315 
1 1 1   18   25   12 o   51.370   7.9569 22.66515 15.91371 
1 1 1   18   25   13 o   79.699   5.2779 7.187584 10.55585 
1 1 1   18   25   14 o  129.738   3.4012 -7.321098 6.802394 
1 1 1   18   25   15 o   90.307   4.7380 -0.8926315 9.476072 
1 1 1   18   25   16 o   61.674   7.3292 8.097340 14.65842 
1 1 1   18   25   17 o   54.536   9.5649 -10.30992 19.12986 
1 1 1   18   25   18 o   33.758   8.9632 10.32686 17.92636 
1 1 1   18   25   19 o  105.970   4.4087 7.859879 8.817363 
1 1 1   18   25   20 o  146.441   3.3566 -3.374695 6.713194 
1 1 1   18   25   21 o  145.090   3.4397 3.244522 6.879368 
1 1 1   18   25   22 o   71.290   6.7508 -20.14489 13.50154 
1 1 1   18   25   23 o   22.665   7.8269 -9.401531 15.65390 
1 1 1   18   26    0 o   81.115   6.3547 0.000000 0.000000 
1 1 1   18   26    1 o  151.030   2.4563 2.035797 4.912514 
1 1 1   18   26    2 o   70.241   5.0052 23.90066 10.01045 
1 1 1   18   26    3 o   52.409   6.4555 11.71550 12.91093 
1 1 1   18   26    4 o   87.444   3.7838 1.658432 7.567624 
1 1 1   18   26    5 o   48.830   7.3235 9.529709 14.64695 
1 1 1   18   26    6 o  105.568   4.9575 -32.04262 9.915063 
1 1 1   18   26    7 o   64.507   7.0062 40.78625 14.01238 
1 1 1   18   26    8 f   23.364   7.3039 -14.78077 14.60787 
1 1 1   18   26    9 o  120.434   4.2026 -1.340881 8.405128 
1 1 1   18   26   10 o  102.013   4.0414 2.314995 8.082773 
1 1 1   18   26   11 o   34.697   8.9801 -3.759911 17.96025 
1 1 1   18   26   12 o   61.599   6.5429 -5.708946 13.08587 
1 1 1   18   26   13 o   62.896   6.8015 11.92826 13.60310 
1 1 1   18   26   14 o  117.398   4.6953 -11.44455 9.390546 
1 1 1   18   26   15 o   26.236   8.5306 -4.649498 17.06122 
1 1 1   18   26   16 o   30.441   8.6215 -10.45064 17.24293 
1 1 1   18   26   17 o   45.415   8.9215 -15.40587 17.84310 
1 1 1   18   26   18 o   46.469   8.8260 -17.29834 17.65207 
1 1 1   18   26   19 o   93.002   4.8918 5.754654 9.783649 
1 1 1   18   26   20 o   64.384   7.5100 1.579021 15.01996 
1 1 1   18   26   21 o   25.944   8.0463 10.44399 16.09256 
1 1 1   18   27    0 o   19.380   9.0999 0.000000 0.000000 
1 1 1   18   27    1 o   68.688   5.8960 -6.703529 11.79200 
1 1 1   18   27    2 o   33.716   8.1422 -7.283674 16.28446 
1 1 1   18   27    3 o   44.646   7.4948 0.9174881 14.98966 
1 1 1   18   27    4 o   37.436   7.9130 -5.907608 15.82599 
1 1 1   18   27    5 o   40.446   7.4159 2.075108 14.83177 
1 1 1   18   27    6 o   29.942   8.5001 -6.087553 17.00011 
1 1 1   18   27    7 o   21.964   7.3958 -0.2618771 14.79166 
1 1 1   18   27    8 o   70.360   5.7053 -6.996758 11.41059 
1 1 1   18   27    9 o   54.347   7.7362 5.146839 15.47230 
1 1 1   18   27   10 o   69.237   5.9416 -18.92919 11.88319 
1 1 1   18   27   11 o   27.799   8.2929 5.471153 16.58581 
1 1 1   18   27   12 o   37.988   8.9917 -8.618557 17.98332 
1 1 1   18   27   13 o   55.555   9.0013 5.127045 18.00254 
1 1 1   18   27   14 o  117.661   3.7739 -3.948006 7.547778 
1 1 1   18   27   15 o   51.222   8.3786 -10.86628 16.75718 
1 1 1   18   27   16 o   76.141   5.7690 0.4235001 11.53792 
1 1 1   18   27   17 o  105.714   4.3937 3.011490 8.787334 
1 1 1   18   27   18 o   34.527   9.3212 8.810181 18.64248 
1 1 1   18   27   19 o   41.830   8.4215 30.08123 16.84294 
1 1 1   18   27   20 o   40.380   9.4173 12.31316 18.83466 
1 1 1   18   28    0 o  142.291   3.6084 0.000000 0.000000 
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1 1 1   18   28    2 o   58.651   6.0594 12.70980 12.11882 
1 1 1   18   28    3 o   27.428   7.5870 -13.61003 15.17397 
1 1 1   18   28    4 o   72.640   6.3491 26.07029 12.69823 
1 1 1   18   28    5 o   64.523   5.3061 0.4349136 10.61213 
1 1 1   18   28    6 o   64.113   6.2486 7.855476 12.49721 
1 1 1   18   28    7 o   98.120   4.2258 -6.848145 8.451621 
1 1 1   18   28    8 o   28.497   8.4128 7.013910 16.82563 
1 1 1   18   28    9 o   54.118   7.5695 38.68063 15.13897 
1 1 1   18   28   10 o   22.869   7.4871 7.748159 14.97417 
1 1 1   18   28   11 o   77.106   6.7623 2.819489 13.52468 
1 1 1   18   28   12 o   38.065   8.6972 -17.33188 17.39436 
1 1 1   18   28   13 o   77.801   5.4130 -5.818291 10.82598 
1 1 1   18   28   14 o   29.593   8.6816 5.455027 17.36317 
1 1 1   18   28   15 o  101.631   4.5005 0.5138245 9.001049 
1 1 1   18   28   16 o   71.019   6.3935 13.59425 12.78699 
1 1 1   18   28   17 o   32.713   9.1976 -7.920078 18.39519 
1 1 1   18   28   18 o   82.220   6.0763 0.7374649 12.15265 
1 1 1   18   28   19 x  ?   ?       ?      ? 
1 1 1   18   29    0 o  117.098   4.3652 0.000000 0.000000 
1 1 1   18   29    1 o   47.576   7.5781 -7.888493 15.15612 
1 1 1   18   29    2 o   84.326   4.1977 -3.547333 8.395468 
1 1 1   18   29    3 o   95.130   3.5243 -4.497963 7.048630 
1 1 1   18   29    4 o   69.945   4.8121 0.1734543 9.624236 
1 1 1   18   29    5 o   33.712   8.1077 -1.829678 16.21546 
1 1 1   18   29    6 o   48.538   7.6798 -33.15490 15.35956 
1 1 1   18   29    7 o   59.428   7.4159 10.76249 14.83187 
1 1 1   18   29    8 o   45.252   8.8288 13.23577 17.65757 
1 1 1   18   29    9 o   75.811   5.5980 7.337387 11.19608 
1 1 1   18   29   10 o   41.816   9.0614 14.35936 18.12281 
1 1 1   18   29   11 o   93.248   4.6783 -14.66615 9.356526 
1 1 1   18   29   12 o  102.885   4.3509 6.236183 8.701701 
1 1 1   18   29   13 o   21.113   7.1430 2.403111 14.28594 
1 1 1   18   29   14 o   26.506   8.3107 -2.260645 16.62142 
1 1 1   18   29   15 o   28.992   8.7583 2.797070 17.51659 
1 1 1   18   29   16 f   59.569   7.9616 38.99060 15.92312 
1 1 1   18   29   17 o   41.338   8.0015 -31.55704 16.00308 
1 1 1   18   30    0 o   37.427   12.336 0.000000 0.000000 
1 1 1   18   30    1 o   43.339   7.9176 0.6116028 15.83522 
1 1 1   18   30    2 f   32.493   8.1254 -14.56332 16.25081 
1 1 1   18   30    3 o   29.023   7.9013 1.366579 15.80269 
1 1 1   18   30    4 o   67.522   4.9778 3.007477 9.955643 
1 1 1   18   30    5 o   82.607   5.2232 0.1849823 10.44642 
1 1 1   18   30    6 o   65.195   8.2968 32.95143 16.59361 
1 1 1   18   30    7 o   25.974   8.1635 -3.403252 16.32703 
1 1 1   18   30    8 o   89.866   4.8746 0.4355240 9.749241 
1 1 1   18   30    9 o   33.855   8.5334 -19.64765 17.06685 
1 1 1   18   30   10 o   30.068   8.8919 -0.4068718 17.78390 
1 1 1   18   30   11 o  149.391   3.1897 -6.819885 6.379329 
1 1 1   18   30   12 o   51.352   8.9470 10.71651 17.89400 
1 1 1   18   30   13 o   28.942   8.6740 3.474691 17.34799 
1 1 1   18   30   14 o   33.751   9.1396 -0.8411789 18.27912 
1 1 1   18   30   15 o   24.047   7.7970 -0.2456512 15.59403 
1 1 1   18   31    0 o   17.589   8.7103 0.000000 0.000000 
1 1 1   18   31    1 o   24.463   7.2710 6.561474 14.54198 
1 1 1   18   31    2 o   74.086   5.3469 1.751198 10.69378 
1 1 1   18   31    3 o   39.377   8.7298 -19.31156 17.45955 
1 1 1   18   31    4 o   31.392   8.6783 -7.367025 17.35657 
1 1 1   18   31    5 o   24.653   7.9368 0.5718517 15.87363 
1 1 1   18   31    6 o   89.528   4.8316 9.036888 9.663206 
1 1 1   18   31    7 o   50.730   8.5587 -15.44781 17.11747 
1 1 1   18   31    8 o   26.465   8.2256 7.065765 16.45123 
1 1 1   18   31    9 o   28.107   8.4989 6.554228 16.99773 
1 1 1   18   31   10 o   70.935   6.2833 -1.333542 12.56658 
1 1 1   18   31   11 o   37.055   9.1622 10.87093 18.32449 
1 1 1   18   31   12 f   34.855   9.1781 0.6284828 18.35627 
1 1 1   18   31   13 o   31.606   8.5034 -16.52056 17.00683 
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1 1 1   18   32    1 o   59.314   5.3979 1.969082 10.79571 
1 1 1   18   32    2 o   26.485   8.2353 -2.894508 16.47059 
1 1 1   18   32    3 o   59.983   7.1421 -4.341324 14.28417 
1 1 1   18   32    4 o   34.242   8.2722 -5.806293 16.54446 
1 1 1   18   32    5 o   33.742   9.0029 12.33332 18.00579 
1 1 1   18   32    6 o   37.477   9.3160 -5.703510 18.63205 
1 1 1   18   32    7 o   31.583   8.3986 -19.64159 16.79721 
1 1 1   18   32    8 o   64.156   7.5584 9.460350 15.11672 
1 1 1   18   32    9 o   29.027   8.6195 -0.1223392 17.23893 
1 1 1   18   32   10 o   31.303   9.0067 -7.417582 18.01346 
1 1 1   18   33    0 o   23.620   10.727 0.000000 0.000000 
1 1 1   18   33    1 o   19.538   6.4633 -3.751019 12.92662 
1 1 1   18   33    2 o   43.420   7.4210 -10.10791 14.84196 
1 1 1   18   33    3 o   89.582   3.7525 6.246284 7.504916 
1 1 1   18   33    4 o   81.207   4.3913 12.47374 8.782659 
1 1 1   18   33    5 o   37.746   9.6318 -12.51350 19.26354 
1 1 1   18   33    6 o   20.036   6.8889 -6.775631 13.77783 
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1 1 1   19    0    9 o  671.992   5.0386 0.000000 0.000000 
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1 1 1   19    1    3 o  493.087   2.6368 -0.9674072 5.273594 
1 1 1   19    1    4 o  276.594   1.7089 2.686188 3.417733 
1 1 1   19    1    5 o  377.523   2.1048 -1.011230 4.209626 
1 1 1   19    1    6 o  238.261   1.6640 -1.053909 3.327924 
1 1 1   19    1    7 o  423.038   2.3267 2.500793 4.653383 
1 1 1   19    1    8 f  265.613   2.0382 0.3628845 4.076369 
1 1 1   19    1    9 o  305.701   2.7050 8.364075 5.409995 
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1 1 1   19    1   12 o  211.407   2.5490 -5.431091 5.097973 
1 1 1   19    1   13 o  106.984   4.8552 38.55111 9.710421 
1 1 1   19    1   14 o  282.866   2.1346 -0.6380920 4.269217 
1 1 1   19    1   15 o  320.994   2.1311 -2.479034 4.262229 
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1 1 1   19    1   17 o  401.995   2.3892 3.354828 4.778371 
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1 1 1   19    1   19 o  189.975   2.4815 -3.077377 4.962962 
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1 1 1   19    1   21 f  187.227   2.5274 2.045105 5.054761 
1 1 1   19    1   22 o  278.496   2.1821 0.3077393 4.364184 
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1 1 1   19    1   26 f  210.430   2.5995 2.683762 5.198940 
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1 1 1   19    1   28 o  151.215   3.2157 0.3852997 6.431480 
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1 1 1   19    1   30 o   25.136   8.1359 7.088474 16.27184 
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1 1 1   19    1   32 o   74.906   7.1290 23.56512 14.25794 
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1 1 1   19    2    4 o  463.387   2.4964 4.133362 4.992868 
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1 1 1   19    2    6 o  404.816   2.4120 -5.480560 4.823984 
1 1 1   19    2    7 o  528.240   2.8321 1.690125 5.664248 
1 1 1   19    2    8 o  332.449   1.9853 0.4722290 3.970531 
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1 1 1   19    2   12 o  578.627   3.3650 -7.138611 6.729924 
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1 1 1   19    2   14 f   80.439   4.7297 -17.58900 9.459350 
1 1 1   19    2   15 o   93.841   4.4909 9.817230 8.981721 
1 1 1   19    2   16 o  144.325   2.9607 10.35565 5.921362 
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1 1 1   19    2   23 o  137.334   3.1121 3.586502 6.224154 
1 1 1   19    2   24 o  112.723   3.9375 10.61575 7.874962 
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1 1 1   19    2   29 o   55.845   9.8952 7.561131 19.79042 
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1 1 1   19    2   31 o   30.029   8.7126 15.45448 17.42523 
1 1 1   19    2   32 o   83.440   6.2131 -1.319992 12.42629 
1 1 1   19    2   33 o   42.840   8.9212 -13.20162 17.84234 
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1 1 1   19    3    4 o  216.332   1.5993 -2.199188 3.198615 
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1 1 1   19    4    8 o  101.486   3.8568 -4.595917 7.713608 
1 1 1   19    4    9 x  ?   ?       ?      ? 
1 1 1   19    4   10 o  240.969   1.9018 1.736359 3.803508 
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1 1 1   19    4   14 o   22.774   7.3103 1.439671 14.62069 
1 1 1   19    4   15 o  176.247   4.7053      ?      ? 
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1 1 1   19    4   17 o  343.094   2.2088 2.903717 4.417540 
1 1 1   19    4   18 o  126.007   3.6129 2.898033 7.225812 
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1 1 1   19    4   32 o   43.468   9.5383 11.03944 19.07650 
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1 1 1   19    5   32 o   60.901   7.8520 14.81796 15.70406 
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1 1 1   19    6    9 o  414.265   2.3410 3.433685 4.681951 
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1 1 1   19   11   10 o  161.815   2.5701 -0.5405426 5.140100 
1 1 1   19   11   11 o  103.632   3.4009 0.9434891 6.801815 
1 1 1   19   11   12 o  321.747   2.0931 1.096893 4.186116 
1 1 1   19   11   13 o  191.226   2.1546 -0.1270905 4.309159 
1 1 1   19   11   14 o   60.733   7.2171 4.096794 14.43419 
1 1 1   19   11   15 o  292.548   2.0807 5.812866 4.161497 
1 1 1   19   11   16 o  271.582   2.0780 -1.302002 4.155958 
1 1 1   19   11   17 o  176.117   2.4610 3.187668 4.922031 
1 1 1   19   11   18 o  149.080   2.6949 -7.132736 5.389789 
1 1 1   19   11   19 o  105.681   4.5178 0.4247665 9.035636 
1 1 1   19   11   20 o   27.935   8.3461 0.8677139 16.69210 
1 1 1   19   11   21 o   99.484   4.3886 1.058907 8.777146 
1 1 1   19   11   22 o   44.433   8.5564 25.02038 17.11277 
1 1 1   19   11   23 o  104.390   4.1718 1.401031 8.343575 
1 1 1   19   11   24 o  165.452   3.2938 -5.856140 6.587521 
1 1 1   19   11   25 f  128.770   3.4371 -0.4436340 6.874274 
1 1 1   19   11   26 o  194.232   2.4891 -5.522583 4.978259 
1 1 1   19   11   27 o   25.233   7.6441 -12.32086 15.28830 
1 1 1   19   11   28 o   84.659   5.4610 2.144234 10.92193 
1 1 1   19   11   29 o   94.106   5.0154 -15.45776 10.03087 
1 1 1   19   11   30 o   56.405   8.3412 22.74542 16.68235 
1 1 1   19   11   31 o   38.483   9.6057 12.64687 19.21144 
1 1 1   19   12    0 o  338.559   4.2431 0.000000 0.000000 
1 1 1   19   12    1 o  374.250   3.0810 -2.361115 6.161979 
1 1 1   19   12    2 o  341.311   2.6277 -2.017914 5.255419 
1 1 1   19   12    3 o  328.522   2.4561 17.89703 4.912189 
1 1 1   19   12    4 o  351.676   2.1128 0.7085266 4.225639 
1 1 1   19   12    5 o  273.416   1.9069 4.440399 3.813749 
1 1 1   19   12    6 o  343.317   2.0780 -1.274628 4.156005 
1 1 1   19   12    7 o  513.711   2.7971 -1.465149 5.594102 
1 1 1   19   12    8 o  177.512   2.4666 -0.4192200 4.933176 
1 1 1   19   12    9 o  195.737   2.8576 15.90100 5.715230 
1 1 1   19   12   10 o  469.352   2.6201 4.079773 5.240178 
1 1 1   19   12   11 o  307.185   2.0551 1.812805 4.110123 
1 1 1   19   12   12 o  126.539   2.8923 6.007896 5.784596 
1 1 1   19   12   13 o  278.660   2.0296 6.119781 4.059215 
1 1 1   19   12   14 o  131.259   2.8414 1.278839 5.682863 
1 1 1   19   12   15 f  122.735   3.2499 6.591553 6.499880 
1 1 1   19   12   16 o   72.320   5.0413 -5.699760 10.08264 
1 1 1   19   12   17 o   30.840   7.6269 -21.13747 15.25378 
1 1 1   19   12   18 o  157.950   2.9169 -7.395935 5.833830 
1 1 1   19   12   19 o   94.649   4.2302 5.310310 8.460346 
1 1 1   19   12   20 o  123.220   3.3067 8.379219 6.613316 
1 1 1   19   12   21 o  150.189   2.8402 -2.436905 5.680422 
1 1 1   19   12   22 o   36.027   8.7716 11.35243 17.54329 
1 1 1   19   12   23 o  245.030   2.3678 -0.4284058 4.735529 
1 1 1   19   12   24 o  132.309   3.2988 -0.7353210 6.597680 
1 1 1   19   12   25 o   88.809   4.8011 -13.41592 9.602116 
1 1 1   19   12   26 o   78.409   5.2233 -6.396988 10.44667 
1 1 1   19   12   27 o  175.529   2.6665 2.410263 5.333024 
1 1 1   19   12   28 o  110.476   4.1822 -16.52095 8.364358 
1 1 1   19   12   29 o   29.060   8.5781 -11.38634 17.15619 
1 1 1   19   12   30 o   40.974   9.2629 12.69638 18.52580 
1 1 1   19   12   31 o   29.094   7.9852 -13.45199 15.97044 
1 1 1   19   13    0 o  415.474   3.3269 0.000000 0.000000 
1 1 1   19   13    1 o  593.016   3.1776 -2.265808 6.355195 
1 1 1   19   13    2 o  451.305   2.7069 4.210388 5.413850 
1 1 1   19   13    3 o  277.100   1.9036 2.341156 3.807253 
1 1 1   19   13    4 o  220.320   1.8955 -5.046692 3.790950 
1 1 1   19   13    5 o   37.746   7.1291 23.29830 14.25814 
1 1 1   19   13    6 o   88.700   3.7005 -7.082634 7.400932 
1 1 1   19   13    7 o  391.057   2.2719 1.464264 4.543726 
1 1 1   19   13    8 o  170.644   2.8176 7.022034 5.635293 
1 1 1   19   13    9 o  125.370   3.2402 -15.69363 6.480361 
1 1 1   19   13   10 o  287.000   2.0077 0.2491455 4.015389 
1 1 1   19   13   11 o  119.461   2.9983 0.2126160 5.996592 
1 1 1   19   13   12 o  225.682   2.1503 5.497452 4.300619 
1 1 1   19   13   13 f   69.238   5.4211 -12.52357 10.84229 
1 1 1   19   13   14 o  377.018   2.2633 -5.494232 4.526550 
1 1 1   19   13   15 o  276.515   2.0470 -1.186066 4.094037 
1 1 1   19   13   16 o   56.176   6.4976 -3.561718 12.99518 
1 1 1   19   13   17 o  232.183   2.0639 1.804962 4.127858 
1 1 1   19   13   18 o   51.354   8.1161 15.87000 16.23213 
1 1 1   19   13   19 o   31.975   8.4367 24.53095 16.87349 
1 1 1   19   13   20 o   77.985   4.8788 3.746452 9.757694 
1 1 1   19   13   21 o   28.278   8.2588 6.066423 16.51762 
1 1 1   19   13   22 o   24.236   7.4948 15.04499 14.98954 
1 1 1   19   13   23 o  142.600   3.8350 5.390060 7.670012 
1 1 1   19   13   24 o  101.716   4.0017 8.507729 8.003349 
1 1 1   19   13   25 o  111.701   3.7121 1.408806 7.424293 
1 1 1   19   13   26 o   26.300   8.0544 11.47923 16.10885 
1 1 1   19   13   27 o  130.590   3.4284 -2.101883 6.856889 
1 1 1   19   13   28 o   32.040   9.0551 8.723490 18.11020 
1 1 1   19   13   29 o   41.787   9.3202 8.916843 18.64040 
1 1 1   19   13   30 f   26.305   8.0081 -8.646158 16.01625 
1 1 1   19   13   31 o   31.836   8.7905 2.033556 17.58100 
1 1 1   19   14    0 o  327.025   2.8967 0.000000 0.000000 
1 1 1   19   14    1 o  137.852   2.4753 -1.278137 4.950514 
1 1 1   19   14    2 o  385.650   2.2459 -3.335999 4.491722 
1 1 1   19   14    3 o  177.852   2.1462 7.369431 4.292304 
1 1 1   19   14    4 o   80.799   4.2355 13.11236 8.470906 
1 1 1   19   14    5 o  360.379   2.6960 -12.47180 5.391979 
1 1 1   19   14    6 o  527.985   3.3098 5.713135 6.619645 
1 1 1   19   14    7 o  103.722   3.2552 -2.457863 6.510397 
1 1 1   19   14    8 o  154.192   2.3139 -5.234253 4.627706 
1 1 1   19   14    9 o  336.930   2.0841 3.089233 4.168153 
1 1 1   19   14   10 o   72.660   4.7888 -2.216469 9.577527 
1 1 1   19   14   11 o  131.320   2.6817 1.322083 5.363375 
1 1 1   19   14   12 o  404.585   2.3623 2.383545 4.724591 
1 1 1   19   14   13 o  210.686   2.0777 1.729706 4.155328 
1 1 1   19   14   14 o  217.397   2.1699 2.543686 4.339890 
1 1 1   19   14   15 o  136.967   2.6904 -6.322784 5.380885 
1 1 1   19   14   16 o  103.091   3.4769 -5.985123 6.953886 
1 1 1   19   14   17 o  161.566   2.6735 -5.004669 5.347097 
1 1 1   19   14   18 o  289.495   2.1907 0.2746582E-01 4.381311 
1 1 1   19   14   19 o  148.070   2.9125 2.346069 5.824995 
1 1 1   19   14   20 o  189.428   2.7947 -1.228210 5.589438 
1 1 1   19   14   21 o   43.156   8.4871 2.084557 16.97424 
1 1 1   19   14   22 o  192.131   2.4058 5.901840 4.811572 
1 1 1   19   14   23 o  149.896   2.8143 12.60950 5.628632 
1 1 1   19   14   24 f  132.592   3.1007 7.613831 6.201359 
1 1 1   19   14   25 o   40.306   9.0173 4.311619 18.03455 
1 1 1   19   14   26 o   73.598   5.8517 9.760101 11.70349 
1 1 1   19   14   27 o   38.303   9.3253 10.86137 18.65066 
1 1 1   19   14   28 o   38.208   9.2728 2.562641 18.54553 
1 1 1   19   14   29 o   85.852   5.0918 -7.178215 10.18368 
1 1 1   19   14   30 o   20.740   6.8085 -9.647910 13.61692 
1 1 1   19   15    0 o  195.823   4.1818 0.000000 0.000000 
1 1 1   19   15    1 o  215.359   2.4210 3.701355 4.841954 
1 1 1   19   15    2 o  352.037   2.4238 -4.079315 4.847520 
1 1 1   19   15    3 o  187.858   2.3716 -12.99089 4.743134 
1 1 1   19   15    4 o  160.705   2.3760 0.2098236 4.752095 
1 1 1   19   15    5 o  333.202   2.2080 -16.27234 4.416021 
1 1 1   19   15    6 o  249.845   1.9367 -4.603210 3.873317 
1 1 1   19   15    7 o  317.036   2.0231 -1.100739 4.046195 
1 1 1   19   15    8 o   85.390   3.8770 14.38299 7.754067 
1 1 1   19   15    9 o  429.115   2.4416 -0.7476807E-02 4.883287 
1 1 1   19   15   10 o  130.325   2.6852 10.16995 5.370356 
1 1 1   19   15   11 o  270.197   1.9862 3.374725 3.972440 
1 1 1   19   15   12 o  236.057   1.9803 -0.4592438 3.960697 
1 1 1   19   15   13 o   79.136   4.2476 6.418449 8.495152 
1 1 1   19   15   14 o  157.551   2.3613 0.3100281 4.722677 
1 1 1   19   15   15 o   55.400   6.4798 -19.82106 12.95965 
1 1 1   19   15   16 o  169.957   2.5657 12.20743 5.131378 
1 1 1   19   15   17 o  262.266   2.1645 3.161591 4.328929 
1 1 1   19   15   18 o  288.667   2.1721 -1.036621 4.344152 
1 1 1   19   15   19 o  153.750   2.9371 4.995880 5.874203 
1 1 1   19   15   20 o   61.992   6.2581 5.780243 12.51624 
1 1 1   19   15   21 o  147.153   2.9291 -3.983398 5.858112 
1 1 1   19   15   22 o  118.745   3.6294 -4.561020 7.258794 
1 1 1   19   15   23 o   39.266   8.2690 26.26698 16.53801 
1 1 1   19   15   24 o  214.691   2.6195 -1.127960 5.238994 
1 1 1   19   15   25 o  172.424   2.6921 -0.3610535 5.384251 
1 1 1   19   15   26 o   30.305   8.7961 8.537685 17.59226 
1 1 1   19   15   27 o   79.367   5.5195 -16.74519 11.03903 
1 1 1   19   15   28 o   58.712   7.2137 12.68284 14.42745 
1 1 1   19   15   29 o   30.978   8.6950 -7.593525 17.39007 
1 1 1   19   15   30 o   19.434   6.6360 5.172338 13.27203 
1 1 1   19   16    0 o   94.329   5.1780 0.000000 0.000000 
1 1 1   19   16    1 o   70.313   4.8482 -9.283524 9.696369 
1 1 1   19   16    2 o   83.307   4.2203 18.29932 8.440605 
1 1 1   19   16    3 o   87.602   3.8214 0.1048965 7.642807 
1 1 1   19   16    4 o   48.187   6.9568 -13.40361 13.91360 
1 1 1   19   16    5 o  186.070   2.0538 2.343079 4.107671 
1 1 1   19   16    6 f  279.896   1.9400 0.1160278 3.879949 
1 1 1   19   16    7 o  107.626   3.1089 -0.9221344 6.217734 
1 1 1   19   16    8 o  414.232   2.5529 0.7171631E-02 5.105769 
1 1 1   19   16    9 o  297.688   2.0164 0.8771667 4.032719 
1 1 1   19   16   10 o  427.419   2.4415 0.7619934 4.883009 
1 1 1   19   16   11 o  159.088   2.2691 5.917816 4.538231 
1 1 1   19   16   12 o  140.304   2.4621 -4.640366 4.924157 
1 1 1   19   16   13 f  153.176   2.3211 -4.918289 4.642265 
1 1 1   19   16   14 o   85.785   3.8134 -5.856140 7.626720 
1 1 1   19   16   15 o  149.254   2.3918 3.687698 4.783626 
1 1 1   19   16   16 o  164.864   2.4969 1.016342 4.993815 
1 1 1   19   16   17 o  318.337   2.2156 -2.027374 4.431134 
1 1 1   19   16   18 o  176.824   2.4663 -0.1243286 4.932588 
1 1 1   19   16   19 o  219.563   2.2048 0.3367157 4.409580 
1 1 1   19   16   20 o  149.792   2.7380 1.626755 5.475993 
1 1 1   19   16   21 o  115.904   3.7492 -28.69558 7.498331 
1 1 1   19   16   22 o   63.268   6.2683 6.631233 12.53662 
1 1 1   19   16   23 o  109.464   3.6798 6.034355 7.359536 
1 1 1   19   16   24 o  253.944   2.2336 2.099045 4.467263 
1 1 1   19   16   25 o   40.268   8.3009 -16.65482 16.60185 
1 1 1   19   16   26 o   40.673   8.4527 -16.46692 16.90541 
1 1 1   19   16   27 o   28.630   7.8416 25.42247 15.68322 
1 1 1   19   16   28 o   23.879   7.7039 3.281162 15.40776 
1 1 1   19   16   29 o   85.687   5.2309 17.04785 10.46183 
1 1 1   19   17    0 o  281.250   2.7765 0.000000 0.000000 
1 1 1   19   17    1 o  130.084   2.6051 -0.4544373 5.210209 
1 1 1   19   17    2 o  330.946   2.0555 -0.3984375 4.111048 
1 1 1   19   17    3 o  277.926   1.9695 4.602478 3.939094 
1 1 1   19   17    4 o  162.663   2.2976 3.636292 4.595131 
1 1 1   19   17    5 o  221.763   2.1327 -0.5420532 4.265378 
1 1 1   19   17    6 f  237.674   1.9514 4.116104 3.902832 
1 1 1   19   17    7 f  176.305   2.2272 1.002365 4.454366 
1 1 1   19   17    8 o  163.878   2.2513 -4.675583 4.502599 
1 1 1   19   17    9 o  215.706   1.9881 5.108444 3.976196 
1 1 1   19   17   10 o   97.355   3.3144 0.5889816 6.628855 
1 1 1   19   17   11 o   38.080   7.8613 2.684181 15.72263 
1 1 1   19   17   12 o   95.948   3.2438 0.2274780 6.487520 
1 1 1   19   17   13 o  167.994   2.1493 1.504562 4.298589 
1 1 1   19   17   14 o  147.096   2.2554 4.237183 4.510721 
1 1 1   19   17   15 o  122.585   3.4963 1.992966 6.992683 
1 1 1   19   17   16 o  126.373   3.0917 1.958122 6.183420 
1 1 1   19   17   17 o  210.925   2.1860 4.209305 4.372002 
1 1 1   19   17   18 o  197.753   2.2399 0.6862946 4.479712 
1 1 1   19   17   19 o  227.810   2.1711 2.812805 4.342182 
1 1 1   19   17   20 o  122.502   6.9613 -130.6527 13.92255 
1 1 1   19   17   21 o  115.405   3.4341 11.74317 6.868154 
1 1 1   19   17   22 o   99.112   3.8416 2.961960 7.683263 
1 1 1   19   17   23 o  120.170   3.3325 -1.718842 6.664950 
1 1 1   19   17   24 o   64.840   5.7779 9.252232 11.55588 
1 1 1   19   17   25 o  110.041   3.7282 5.538322 7.456364 
1 1 1   19   17   26 o   46.212   8.2931 -3.531322 16.58622 
1 1 1   19   17   27 o   34.456   8.9084 -0.3154755E-01 17.81677 
1 1 1   19   17   28 o   32.995   8.3552 24.36281 16.71033 
1 1 1   19   17   29 x  ?   ?       ?      ? 
1 1 1   19   18    0 o  241.890   2.7796 0.000000 0.000000 
1 1 1   19   18    1 o  171.992   2.1955 0.6457520E-01 4.390922 
1 1 1   19   18    2 o  125.346   2.8442 -0.5310059 5.688454 
1 1 1   19   18    3 o  219.001   2.1272 -0.1840363 4.254485 
1 1 1   19   18    4 o  341.534   2.1272 0.4614868 4.254365 
1 1 1   19   18    5 o  105.360   3.5474 8.135597 7.094793 
1 1 1   19   18    6 o  228.542   1.9548 6.121994 3.909523 
1 1 1   19   18    7 o   60.739   5.3260 -16.20280 10.65210 
1 1 1   19   18    8 o  188.145   2.0570 4.083466 4.113907 
1 1 1   19   18    9 o  124.370   2.6431 9.053513 5.286295 
1 1 1   19   18   10 o   64.909   4.8709 -6.935471 9.741843 
1 1 1   19   18   11 o   82.179   4.8895 14.02514 9.779005 
1 1 1   19   18   12 o  100.452   3.0496 13.68588 6.099115 
1 1 1   19   18   13 o  119.687   2.5865 22.12609 5.173087 
1 1 1   19   18   14 o  134.765   2.9027 1.992844 5.805348 
1 1 1   19   18   15 o  124.038   2.9479 -3.246681 5.895747 
1 1 1   19   18   16 o   18.360   6.3292 7.361592 12.65837 
1 1 1   19   18   17 o  143.544   2.6026 9.092819 5.205110 
1 1 1   19   18   18 o   83.596   4.3209 2.139359 8.641802 
1 1 1   19   18   19 o  172.566   4.1778      ?      ? 
1 1 1   19   18   20 o   65.692   6.2076 -10.72120 12.41524 
1 1 1   19   18   21 o   86.236   4.3047 2.456619 8.609460 
1 1 1   19   18   22 o   69.141   5.5729 4.097466 11.14585 
1 1 1   19   18   23 o   97.043   3.9074 14.96612 7.814883 
1 1 1   19   18   24 o   78.809   5.0369 13.34811 10.07385 
1 1 1   19   18   25 o   51.826   8.0006 2.922104 16.00111 
1 1 1   19   18   26 o   63.376   7.3169 18.64319 14.63373 
1 1 1   19   18   27 o   34.213   9.4135 8.991901 18.82693 
1 1 1   19   18   28 o   30.496   8.5885 3.602093 17.17691 
1 1 1   19   19    0 o  259.669   2.7611 0.000000 0.000000 
1 1 1   19   19    1 o   94.417   3.5905 -7.792587 7.181073 
1 1 1   19   19    2 o  243.703   1.9722 0.4673309 3.944450 
1 1 1   19   19    3 o  268.571   2.0811 0.9779053 4.162282 
1 1 1   19   19    4 o  230.531   1.9785 0.9012146 3.956992 
1 1 1   19   19    5 o  332.211   2.0984 -2.774323 4.196791 
1 1 1   19   19    6 o  146.441   2.3810 2.363159 4.762036 
1 1 1   19   19    7 o  286.888   1.9990 5.798767 3.997991 
1 1 1   19   19    8 f  177.310   2.1325 1.745728 4.264977 
1 1 1   19   19    9 o  104.913   3.0201 2.506500 6.040148 
1 1 1   19   19   10 o  267.265   1.9510 -0.7611084 3.901899 
1 1 1   19   19   11 o  150.437   2.1681 1.897537 4.336249 
1 1 1   19   19   12 o  123.858   2.4940 -9.016434 4.988096 
1 1 1   19   19   13 o  200.001   2.1725 3.262833 4.345071 
1 1 1   19   19   14 o  160.356   2.4914 2.985901 4.982808 
1 1 1   19   19   15 o  121.677   3.1799 -8.816864 6.359779 
1 1 1   19   19   16 o  168.085   2.3440 -3.126404 4.687968 
1 1 1   19   19   17 o   65.429   5.3104 7.366779 10.62084 
1 1 1   19   19   18 o  274.199   2.9000 8.268219 5.800056 
1 1 1   19   19   19 o   65.108   5.4667 3.049671 10.93335 
1 1 1   19   19   20 o   23.065   7.3494 3.504164 14.69874 
1 1 1   19   19   21 o   77.331   5.2640 -9.824257 10.52803 
1 1 1   19   19   22 o   58.953   7.1493 -3.274086 14.29853 
1 1 1   19   19   23 o  171.881   2.6702 1.236603 5.340306 
1 1 1   19   19   24 o   34.365   8.9319 2.752644 17.86387 
1 1 1   19   19   25 o   37.870   8.8767 -11.92023 17.75344 
1 1 1   19   19   26 o   68.747   5.8743 12.95596 11.74869 
1 1 1   19   19   27 o   30.670   8.8735 10.86735 17.74700 
1 1 1   19   20    0 o  237.205   2.7553 0.000000 0.000000 
1 1 1   19   20    1 o  208.806   2.0039 -2.829208 4.007772 
1 1 1   19   20    2 o   24.223   7.3062 -10.76965 14.61231 
1 1 1   19   20    3 o  236.005   2.0839 -6.160446 4.167890 
1 1 1   19   20    4 o   63.956   5.2336 7.883736 10.46725 
1 1 1   19   20    5 f  271.668   1.9540 -2.266357 3.907978 
1 1 1   19   20    6 o  104.949   3.1577 7.978386 6.315326 
1 1 1   19   20    7 o  101.452   3.0940 -7.284241 6.188020 
1 1 1   19   20    8 o   77.201   3.9980 5.897652 7.995953 
1 1 1   19   20    9 o  190.357   1.9908 4.492050 3.981684 
1 1 1   19   20   10 o  200.283   2.5776 -0.5892487 5.155218 
1 1 1   19   20   11 o  106.219   3.9773 -5.173447 7.954562 
1 1 1   19   20   12 o  188.626   2.6210 5.221359 5.241911 
1 1 1   19   20   13 o   61.558   6.7882 -14.83923 13.57643 
1 1 1   19   20   14 f  169.686   2.7659 5.691742 5.531750 
1 1 1   19   20   15 o  140.089   3.2338 8.939697 6.467682 
1 1 1   19   20   16 o   20.284   6.8532 4.770283 13.70639 
1 1 1   19   20   17 o   91.414   4.0426 -6.268974 8.085179 
1 1 1   19   20   18 f   97.488   3.7495 -3.295792 7.498920 
1 1 1   19   20   19 o   78.999   4.3914 2.740784 8.782765 
1 1 1   19   20   20 o   63.634   5.3384 17.67937 10.67684 
1 1 1   19   20   21 o   65.878   6.7071 -0.2126236 13.41419 
1 1 1   19   20   22 o  121.633   3.2910 5.013535 6.581999 
1 1 1   19   20   23 o   97.823   5.7352 -20.70712 11.47032 
1 1 1   19   20   24 o  115.767   3.5851 10.04513 7.170184 
1 1 1   19   20   25 o   23.694   7.5625 0.1613617 15.12500 
1 1 1   19   20   26 o   67.016   6.0119 -0.1758575 12.02384 
1 1 1   19   21    0 o   22.339   9.7739 0.000000 0.000000 
1 1 1   19   21    1 o  162.723   2.2561 3.227463 4.512246 
1 1 1   19   21    2 o  101.748   3.2687 -12.19315 6.537401 
1 1 1   19   21    3 o  137.041   2.6177 1.577118 5.235344 
1 1 1   19   21    4 o   32.059   7.9126 4.865683 15.82512 
1 1 1   19   21    5 o   23.720   7.2309 -1.556402 14.46176 
1 1 1   19   21    6 o  203.750   1.9718 -0.2061920 3.943610 
1 1 1   19   21    7 o  107.947   3.4098 2.348000 6.819530 
1 1 1   19   21    8 o   96.100   3.1851 -4.493629 6.370281 
1 1 1   19   21    9 o   53.620   7.6869 -11.40472 15.37383 
1 1 1   19   21   10 o   71.764   5.6956 5.535866 11.39117 
1 1 1   19   21   11 o  101.153   4.0764 -0.2212906 8.152766 
1 1 1   19   21   12 o   91.683   4.5941 -6.816101 9.188222 
1 1 1   19   21   13 o   19.700   6.7218 -5.793650 13.44363 
1 1 1   19   21   14 o   80.632   4.9729 7.082016 9.945878 
1 1 1   19   21   15 o  103.144   4.2829 11.70570 8.565749 
1 1 1   19   21   16 o  163.070   2.9571 6.551422 5.914262 
1 1 1   19   21   17 o   32.143   8.2096 19.98802 16.41929 
1 1 1   19   21   18 o   96.158   4.5207 -3.068710 9.041498 
1 1 1   19   21   19 o   33.969   8.1803 9.671394 16.36054 
1 1 1   19   21   20 o   89.144   3.8330 14.45976 7.665953 
1 1 1   19   21   21 o   26.094   6.8298 -14.94788 13.65968 
1 1 1   19   21   22 o  127.442   3.0361 3.279465 6.072130 
1 1 1   19   21   23 o   43.266   8.2664 17.17587 16.53286 
1 1 1   19   21   24 o   70.272   5.8672 -11.32700 11.73448 
1 1 1   19   21   25 o   31.317   8.3219 19.90844 16.64372 
1 1 1   19   21   26 f   24.697   7.8453 19.27454 15.69062 
1 1 1   19   22    0 f   89.625   5.8291 0.000000 0.000000 
1 1 1   19   22    1 o  172.415   2.1367 -0.7787781 4.273371 
1 1 1   19   22    2 o   50.967   6.5267 -21.30333 13.05334 
1 1 1   19   22    3 o  159.766   2.3209 -1.987106 4.641809 
1 1 1   19   22    4 o  235.139   1.9301 -4.141068 3.860125 
1 1 1   19   22    5 o  100.369   3.5710 9.414833 7.141902 
1 1 1   19   22    6 o  108.460   3.0367 13.80045 6.073466 
1 1 1   19   22    7 o   31.161   7.6005 -6.016287 15.20103 
1 1 1   19   22    8 o  124.658   3.3245 5.603951 6.649039 
1 1 1   19   22    9 o  108.282   3.8782 -0.8340225 7.756409 
1 1 1   19   22   10 o  236.223   2.3586 1.992493 4.717225 
1 1 1   19   22   11 o   47.802   8.3766 -7.733849 16.75329 
1 1 1   19   22   12 o  136.148   3.1289 -0.4692078 6.257850 
1 1 1   19   22   13 o   32.665   8.3820 31.79191 16.76393 
1 1 1   19   22   14 o  107.629   3.9820 -15.85758 7.963977 
1 1 1   19   22   15 o  172.943   2.7990 -1.023315 5.598039 
1 1 1   19   22   16 o   88.275   4.7771 3.844162 9.554107 
1 1 1   19   22   17 o   85.578   5.0509 -8.212326 10.10172 
1 1 1   19   22   18 o   86.953   4.8550 -5.432457 9.710061 
1 1 1   19   22   19 o   72.487   7.3993 10.93443 14.79856 
1 1 1   19   22   20 o   46.491   9.0256 -15.19279 18.05117 
1 1 1   19   22   21 o   65.132   5.4468 0.7652283E-01 10.89353 
1 1 1   19   22   22 o   29.349   8.2229 14.53305 16.44576 
1 1 1   19   22   23 o   26.114   7.5282 -7.198645 15.05649 
1 1 1   19   22   24 o   62.621   6.0187 16.39939 12.03743 
1 1 1   19   22   25 o   73.313   6.3543 -27.15941 12.70868 
1 1 1   19   23    0 o   93.438   5.1058 0.000000 0.000000 
1 1 1   19   23    1 o   52.955   6.3263 -10.61771 12.65259 
1 1 1   19   23    2 o   63.474   5.0692 5.452229 10.13843 
1 1 1   19   23    3 o  116.789   2.8259 6.646919 5.651819 
1 1 1   19   23    4 o   64.312   4.9843 -10.88997 9.968584 
1 1 1   19   23    5 o   46.503   6.5692 4.508015 13.13844 
1 1 1   19   23    6 f   67.978   4.4044 4.387802 8.808893 
1 1 1   19   23    7 o   23.456   7.5551 6.274275 15.11012 
1 1 1   19   23    8 o   25.096   7.8306 -8.309111 15.66122 
1 1 1   19   23    9 o  152.551   2.8959 8.740952 5.791849 
1 1 1   19   23   10 o   31.276   8.7343 2.516495 17.46856 
1 1 1   19   23   11 o  153.829   2.9422 -3.097580 5.884483 
1 1 1   19   23   12 o  169.248   3.3293 2.860535 6.658609 
1 1 1   19   23   13 o   36.129   9.0568 -8.683475 18.11357 
1 1 1   19   23   14 o  208.550   2.4861 2.601486 4.972265 
1 1 1   19   23   15 o   25.249   7.7726 -11.12777 15.54515 
1 1 1   19   23   16 o   39.323   9.1810 -2.928368 18.36198 
1 1 1   19   23   17 o   50.909   8.3608 12.27645 16.72152 
1 1 1   19   23   18 o   27.343   8.3933 1.882660 16.78662 
1 1 1   19   23   19 o   26.411   8.2666 -1.777365 16.53310 
1 1 1   19   23   20 o   54.616   8.4952 -5.784557 16.99034 
1 1 1   19   23   21 o   22.919   7.6109 8.103371 15.22176 
1 1 1   19   23   22 o   31.785   8.2290 10.92363 16.45810 
1 1 1   19   23   23 o   67.464   5.2117 10.25624 10.42331 
1 1 1   19   23   24 o   27.154   7.7771 23.04413 15.55418 
1 1 1   19   24    0 o   15.424   7.7275 0.000000 0.000000 
1 1 1   19   24    1 o   24.510   7.3446 -6.953482 14.68916 
1 1 1   19   24    2 o   94.250   3.4993 -1.531746 6.998623 
1 1 1   19   24    3 o  116.209   2.7626 -3.087540 5.525103 
1 1 1   19   24    4 o  102.629   3.1413 -0.2094498 6.282502 
1 1 1   19   24    5 o   20.871   6.7177 -1.961889 13.43546 
1 1 1   19   24    6 f  108.221   2.9180 -1.804817 5.835976 
1 1 1   19   24    7 o   53.836   7.5448 16.00980 15.08959 
1 1 1   19   24    8 o   64.718   6.2223 9.921471 12.44452 
1 1 1   19   24    9 o   42.288   9.0054 0.4400749 18.01079 
1 1 1   19   24   10 o  148.981   3.0139 -9.699890 6.027883 
1 1 1   19   24   11 o   25.297   7.9213 -8.458687 15.84251 
1 1 1   19   24   12 o   26.125   7.9445 -7.955742 15.88892 
1 1 1   19   24   13 o   91.282   4.5934 -9.803864 9.186745 
1 1 1   19   24   14 o   42.704   9.0859 7.818317 18.17183 
1 1 1   19   24   15 o   88.981   4.7325 -7.927071 9.464942 
1 1 1   19   24   16 o   95.117   4.4654 -2.684471 8.930766 
1 1 1   19   24   17 f   69.744   6.2834 -6.037483 12.56685 
1 1 1   19   24   18 o   27.997   8.4855 3.598448 16.97109 
1 1 1   19   24   19 o  123.834   3.6796 5.370811 7.359115 
1 1 1   19   24   20 o   82.477   5.6282 10.79505 11.25641 
1 1 1   19   24   21 o   28.089   8.6589 -1.284285 17.31775 
1 1 1   19   24   22 o  143.749   3.8147 -15.62866 7.629318 
1 1 1   19   24   23 o   18.575   6.5113 0.2853489 13.02260 
1 1 1   19   25    0 o  150.721   3.2531 0.000000 0.000000 
1 1 1   19   25    1 o   33.602   8.0678 -0.1352386 16.13565 
1 1 1   19   25    2 o  198.491   2.0068 -1.407150 4.013510 
1 1 1   19   25    3 o   59.801   5.4656 -4.844669 10.93115 
1 1 1   19   25    4 o   73.289   4.3870 -3.248436 8.773985 
1 1 1   19   25    5 o   84.248   3.8060 -4.107048 7.612035 
1 1 1   19   25    6 o   68.530   6.0090 -14.40689 12.01801 
1 1 1   19   25    7 o  105.905   3.9587 -3.207298 7.917373 
1 1 1   19   25    8 f   95.513   4.3805 0.5630951 8.760938 
1 1 1   19   25    9 o   41.020   8.9968 9.484264 17.99362 
1 1 1   19   25   10 o   21.848   7.2029 -1.294741 14.40573 
1 1 1   19   25   11 o  111.601   3.7667 -11.86738 7.533366 
1 1 1   19   25   12 o   37.386   8.1741 23.43124 16.34810 
1 1 1   19   25   13 o  138.879   3.1805 -6.015625 6.360986 
1 1 1   19   25   14 o   24.358   8.1364 6.380735 16.27283 
1 1 1   19   25   15 o  111.411   3.9224 -9.436378 7.844763 
1 1 1   19   25   16 o   55.236   7.8402 -30.29955 15.68035 
1 1 1   19   25   17 o   58.158   7.8127 22.97673 15.62533 
1 1 1   19   25   18 o   60.433   8.9559 31.53947 17.91188 
1 1 1   19   25   19 o  112.709   4.0738 -1.866768 8.147519 
1 1 1   19   25   20 o   32.799   9.1890 -3.106256 18.37798 
1 1 1   19   25   21 o   34.857   9.0704 -18.96244 18.14086 
1 1 1   19   25   22 x  ?   ?       ?      ? 
1 1 1   19   26    0 o  112.477   4.4215 0.000000 0.000000 
1 1 1   19   26    1 o   35.781   7.7577 -17.50177 15.51549 
1 1 1   19   26    2 o  157.168   2.3419 2.384491 4.683782 
1 1 1   19   26    3 o   81.446   4.0235 5.434395 8.046951 
1 1 1   19   26    4 o   22.592   6.9406 6.358828 13.88121 
1 1 1   19   26    5 o   37.298   7.3549 13.98953 14.70988 
1 1 1   19   26    6 o  101.092   4.0356 0.9837036 8.071199 
1 1 1   19   26    7 o   95.533   4.2781 8.602158 8.556132 
1 1 1   19   26    8 o   84.185   4.7817 9.228180 9.563405 
1 1 1   19   26    9 o   21.088   7.0640 0.4970722 14.12793 
1 1 1   19   26   10 o   63.629   6.3216 -2.933475 12.64320 
1 1 1   19   26   11 o   68.275   6.0650 12.49648 12.13001 
1 1 1   19   26   12 o   20.786   6.9857 -3.871265 13.97138 
1 1 1   19   26   13 o   47.710   8.5104 7.813339 17.02070 
1 1 1   19   26   14 o   80.931   5.4129 9.966026 10.82572 
1 1 1   19   26   15 o   27.930   8.4294 -3.706390 16.85880 
1 1 1   19   26   16 o  101.803   5.4123 2.804886 10.82463 
1 1 1   19   26   17 o   50.791   8.9721 -0.2893066E-01 17.94419 
1 1 1   19   26   18 o   57.318   8.1539 -22.20993 16.30773 
1 1 1   19   26   19 o   55.169   8.5540 -11.62450 17.10790 
1 1 1   19   26   20 o   57.844   8.2179 21.21982 16.43577 
1 1 1   19   27    0 o   40.428   10.463 0.000000 0.000000 
1 1 1   19   27    1 o  152.711   2.5888 4.780136 5.177547 
1 1 1   19   27    2 o  123.927   2.7716 -5.970695 5.543130 
1 1 1   19   27    3 o  130.754   2.6411 3.799469 5.282189 
1 1 1   19   27    4 o   39.266   8.1358 -5.016567 16.27157 
1 1 1   19   27    5 o  134.969   2.6629 1.639877 5.325849 
1 1 1   19   27    6 o   48.102   7.8552 26.10281 15.71042 
1 1 1   19   27    7 o  114.278   3.7115 -2.491699 7.423008 
1 1 1   19   27    8 o   49.408   7.7301 -38.98652 15.46022 
1 1 1   19   27    9 o   75.920   5.7754 24.48927 11.55086 
1 1 1   19   27   10 f   52.409   7.7585 -13.44007 15.51702 
1 1 1   19   27   11 o   22.652   7.3406 -7.624901 14.68122 
1 1 1   19   27   12 o   65.942   6.4177 -5.774487 12.83530 
1 1 1   19   27   13 o   36.110   9.0653 -6.926010 18.13058 
1 1 1   19   27   14 o   75.628   7.8120 23.44634 15.62395 
1 1 1   19   27   15 o   29.548   8.7302 4.189167 17.46041 
1 1 1   19   27   16 o   50.561   8.5030 -3.001511 17.00609 
1 1 1   19   27   17 o   26.514   8.0225 -15.45762 16.04491 
1 1 1   19   27   18 o   93.276   4.8951 2.987999 9.790286 
1 1 1   19   27   19 o   62.345   9.2866 14.33304 18.57318 
1 1 1   19   28    0 o   41.740   11.595 0.000000 0.000000 
1 1 1   19   28    1 o  117.743   3.0547 -8.704826 6.109447 
1 1 1   19   28    2 o   36.685   8.2785 1.494965 16.55708 
1 1 1   19   28    3 o   62.745   5.3435 -14.75535 10.68700 
1 1 1   19   28    4 o   67.451   4.8421 2.695107 9.684116 
1 1 1   19   28    5 o   81.425   4.4544 -4.169212 8.908754 
1 1 1   19   28    6 o   71.005   7.1125 6.373329 14.22508 
1 1 1   19   28    7 o   25.904   8.0920 -1.093672 16.18396 
1 1 1   19   28    8 o   38.904   8.0119 26.93959 16.02377 
1 1 1   19   28    9 o   55.999   7.7548 15.82819 15.50963 
1 1 1   19   28   10 o   21.680   7.2072 4.895164 14.41448 
1 1 1   19   28   11 o   83.823   5.0284 -1.947731 10.05674 
1 1 1   19   28   12 o  144.274   3.8382 5.888840 7.676301 
1 1 1   19   28   13 f   32.998   8.6946 -14.79394 17.38930 
1 1 1   19   28   14 o   29.134   8.5587 8.584206 17.11741 
1 1 1   19   28   15 o   78.941   5.8243 3.594719 11.64861 
1 1 1   19   28   16 o   29.418   8.6370 -10.73432 17.27408 
1 1 1   19   28   17 o   46.698   9.2664 2.268856 18.53273 
1 1 1   19   29    0 o   66.485   8.4817 0.000000 0.000000 
1 1 1   19   29    1 o  101.423   3.4792 3.327576 6.958444 
1 1 1   19   29    2 o   29.718   8.1912 1.109232 16.38231 
1 1 1   19   29    3 o   99.805   3.4656 0.4600449 6.931156 
1 1 1   19   29    4 o   44.094   7.6671 -7.563126 15.33421 
1 1 1   19   29    5 o   65.084   5.5388 6.120731 11.07754 
1 1 1   19   29    6 o   80.366   5.3207 18.77012 10.64140 
1 1 1   19   29    7 o   74.409   6.0176 20.41030 12.03516 
1 1 1   19   29    8 o   33.035   9.0073 1.337170 18.01465 
1 1 1   19   29    9 o   28.095   8.1174 -15.79851 16.23484 
1 1 1   19   29   10 o   30.773   9.2340 -0.6907043 18.46802 
1 1 1   19   29   11 o   23.769   7.7383 -3.379942 15.47653 
1 1 1   19   29   12 o   35.510   9.2863 2.892197 18.57265 
1 1 1   19   29   13 o   62.290   7.1875 8.187984 14.37508 
1 1 1   19   29   14 f  104.506   5.0479 -18.03367 10.09570 
1 1 1   19   29   15 o   79.452   5.8992 15.96046 11.79840 
1 1 1   19   29   16 x  ?   ?       ?      ? 
1 1 1   19   30    0 o   73.694   8.4542 0.000000 0.000000 
1 1 1   19   30    1 o   26.489   7.6437 -11.85733 15.28742 
1 1 1   19   30    2 o   81.366   4.4505 8.196404 8.901079 
1 1 1   19   30    3 o   38.364   8.0276 3.347042 16.05527 
1 1 1   19   30    4 o   34.018   7.4079 13.52559 14.81575 
1 1 1   19   30    5 o   61.706   7.5983 -25.91563 15.19655 
1 1 1   19   30    6 o   54.008   7.9327 19.02079 15.86536 
1 1 1   19   30    7 o   38.561   8.8871 -15.91948 17.77415 
1 1 1   19   30    8 o   35.756   9.2174 -7.670004 18.43486 
1 1 1   19   30    9 o   48.708   8.9629 6.470543 17.92574 
1 1 1   19   30   10 o   58.515   8.7327 27.79763 17.46546 
1 1 1   19   30   11 o   45.880   8.7585 -18.65518 17.51700 
1 1 1   19   30   12 o   32.110   8.8628 10.17682 17.72551 
1 1 1   19   30   13 o   51.223   8.1128 41.68165 16.22562 
1 1 1   19   30   14 x  ?   ?       ?      ? 
1 1 1   19   31    0 o   21.450   10.136 0.000000 0.000000 
1 1 1   19   31    1 o   24.589   7.7492 -7.728968 15.49842 
1 1 1   19   31    2 o   22.377   7.2479 -5.250660 14.49588 
1 1 1   19   31    3 o   48.596   7.3389 4.800545 14.67772 
1 1 1   19   31    4 o   19.958   6.5833 -1.873657 13.16659 
1 1 1   19   31    5 o   44.472   8.7970 18.28748 17.59396 
1 1 1   19   31    6 o   72.472   5.9396 10.03195 11.87924 
1 1 1   19   31    7 o   61.710   7.4064 -28.49258 14.81278 
1 1 1   19   31    8 o   58.562   7.5916 -16.90333 15.18326 
1 1 1   19   31    9 o   31.012   8.7235 -14.78800 17.44691 
1 1 1   19   31   10 o   26.219   7.9810 8.979469 15.96194 
1 1 1   19   31   11 o   21.930   7.2856 -13.13328 14.57128 
1 1 1   19   32    0 o   34.782   12.616 0.000000 0.000000 
1 1 1   19   32    1 o   70.702   5.1757 -13.57671 10.35139 
1 1 1   19   32    2 o   78.043   4.5894 -23.89070 9.178876 
1 1 1   19   32    3 o   19.906   8.9844      ?      ? 
1 1 1   19   32    4 o   66.271   6.6939 9.499458 13.38772 
1 1 1   19   32    5 o   57.410   7.5791 3.386787 15.15821 
1 1 1   19   32    6 o   37.588   9.3157 -4.336761 18.63136 
1 1 1   19   32    7 o   46.450   9.4884 -30.01445 18.97686 
1 1 1   19   32    8 x  ?   ?       ?      ? 
1 1 1   20    0    0 o  308.864   3.6814 0.000000 0.000000 
1 1 1   20    0    1 o  394.868   3.0880 0.000000 0.000000 
1 1 1   20    0    2 o  283.905   2.4941 0.000000 0.000000 
1 1 1   20    0    3 f  214.656   2.3703 0.000000 0.000000 
1 1 1   20    0    4 f  561.875   4.2393 0.000000 0.000000 
1 1 1   20    0    5 o  355.102   2.9056 0.000000 0.000000 
1 1 1   20    0    6 o  449.082   3.4837 0.000000 0.000000 
1 1 1   20    0    7 o  201.236   2.6222 0.000000 0.000000 
1 1 1   20    0    8 o  108.741   4.9947 0.000000 0.000000 
1 1 1   20    0    9 o  453.465   3.5520 0.000000 0.000000 
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1 1 1   20    0   13 o  209.528   3.0232 0.000000 0.000000 
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1 1 1   20    0   23 o   32.623   12.591 0.000000 0.000000 
1 1 1   20    0   24 o   95.184   6.0504 0.000000 0.000000 
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1 1 1   20    1    2 o  213.040   1.6620 3.647598 3.323942 
1 1 1   20    1    3 o  439.892   2.3988 -0.7953491 4.797645 
1 1 1   20    1    4 o  182.830   1.8899 -0.6102753 3.779885 
1 1 1   20    1    5 o  451.982   2.4672 3.064972 4.934382 
1 1 1   20    1    6 o  237.737   3.5316      ?      ? 
1 1 1   20    1    7 o  155.020   2.3635 -5.282547 4.727076 
1 1 1   20    1    8 o  331.921   2.0151 2.143921 4.030211 
1 1 1   20    1    9 o  196.479   2.0133 4.284729 4.026623 
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1 1 1   20    1   11 o  233.755   1.9788 -8.411392 3.957685 
1 1 1   20    1   12 o  381.281   2.2523 -4.101166 4.504504 
1 1 1   20    1   13 o  249.567   2.0440 -0.6860504 4.088038 
1 1 1   20    1   14 o  166.933   2.5193 2.648056 5.038663 
1 1 1   20    1   15 o  159.450   2.5644 -2.597702 5.128874 
1 1 1   20    1   16 o  236.781   2.3250 5.600677 4.649908 
1 1 1   20    1   17 o   51.360   7.9818 -7.137363 15.96359 
1 1 1   20    1   18 o  218.588   2.2599 3.477051 4.519757 
1 1 1   20    1   19 o   26.612   8.1341 -4.376614 16.26819 
1 1 1   20    1   20 o   26.544   8.1449 3.382376 16.28986 
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1 1 1   20    1   22 o  133.840   3.1753 -0.3816071 6.350593 
1 1 1   20    1   23 o  143.247   2.9576 2.571228 5.915255 
1 1 1   20    1   24 o  211.094   2.2774 -4.741959 4.554865 
1 1 1   20    1   25 o   65.964   7.1219 -10.02270 14.24373 
1 1 1   20    1   26 o   61.522   7.8151 -8.378017 15.63030 
1 1 1   20    1   27 o  176.452   2.7561 5.178574 5.512237 
1 1 1   20    1   28 o   64.068   7.5777 -2.365284 15.15549 
1 1 1   20    1   29 o   38.260   9.2782 -12.52073 18.55646 
1 1 1   20    1   30 o   86.115   5.7856 -8.655678 11.57112 
1 1 1   20    1   31 o   70.061   6.8281 -9.747780 13.65617 
1 1 1   20    1   32 o   33.143   9.1938 -8.172033 18.38761 
1 1 1   20    1   33 o   51.296   8.7231 -6.410366 17.44613 
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1 1 1   20    2    2 o   45.156   5.7429 -14.91796 11.48589 
1 1 1   20    2    3 o  295.508   1.8161 -0.1517639 3.632168 
1 1 1   20    2    4 o  297.671   2.2500 -2.905945 4.499940 
1 1 1   20    2    5 o   51.583   7.4896 -20.76038 14.97922 
1 1 1   20    2    6 o  159.751   2.4981 -21.01375 4.996233 
1 1 1   20    2    7 o  322.581   1.9689 -2.611267 3.937782 
1 1 1   20    2    8 o  444.922   2.4648 1.210693 4.929566 
1 1 1   20    2    9 o  500.466   2.7343 2.533875 5.468633 
1 1 1   20    2   10 o  251.820   2.7198 -9.554810 5.439609 
1 1 1   20    2   11 o  451.634   2.5267 -0.5273743 5.053315 
1 1 1   20    2   12 o  423.880   2.6122 -2.495239 5.224467 
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1 1 1   20    2   14 o  217.760   2.1643 -3.476151 4.328686 
1 1 1   20    2   15 o  178.630   2.4273 1.955750 4.854519 
1 1 1   20    2   16 o  163.926   2.5748 -1.667007 5.149647 
1 1 1   20    2   17 o   78.689   5.0777 -0.1442719E-01 10.15549 
1 1 1   20    2   18 o   74.726   6.0209 4.498848 12.04181 
1 1 1   20    2   19 o  188.188   2.4751 -6.450790 4.950165 
1 1 1   20    2   20 o   39.783   8.9885 -0.7217369 17.97696 
1 1 1   20    2   21 o   27.452   8.1107 11.78646 16.22132 
1 1 1   20    2   22 o   40.461   8.7593 -11.28761 17.51868 
1 1 1   20    2   23 o  290.228   2.1324 0.1855774 4.264782 
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1 1 1   20    2   25 o   40.552   8.4756 -20.55633 16.95120 
1 1 1   20    2   26 o  148.749   3.3394 0.5135345 6.678724 
1 1 1   20    2   27 o   49.738   8.8109 5.724998 17.62173 
1 1 1   20    2   28 o   25.791   8.2479 7.280386 16.49589 
1 1 1   20    2   29 o   35.894   9.2919 12.06964 18.58390 
1 1 1   20    2   30 o   35.813   9.6158 -6.192574 19.23169 
1 1 1   20    2   31 o   47.248   9.3223 7.316948 18.64450 
1 1 1   20    2   32 o   61.663   7.9134 -24.88716 15.82689 
1 1 1   20    2   33 o   15.970   5.7028 1.355503 11.40561 
1 1 1   20    3    0 o  387.927   3.0441 0.000000 0.000000 
1 1 1   20    3    1 o  428.401   2.3449 -0.8659363 4.689808 
1 1 1   20    3    2 o  166.197   1.9544 0.8872528 3.908832 
1 1 1   20    3    3 o  266.561   1.7550 1.499695 3.510017 
1 1 1   20    3    4 o  500.506   2.9109 -11.40988 5.821786 
1 1 1   20    3    5 o  335.609   2.5449 -29.33768 5.089826 
1 1 1   20    3    6 o  513.674   2.7708 -4.637634 5.541582 
1 1 1   20    3    7 o  258.726   1.8418 2.640320 3.683530 
1 1 1   20    3    8 o  242.324   2.0139 -0.3517456 4.027875 
1 1 1   20    3    9 o  450.621   2.5129 -2.032288 5.025792 
1 1 1   20    3   10 o  548.567   2.9727 -1.213257 5.945495 
1 1 1   20    3   11 o  143.777   2.8769 2.532471 5.753837 
1 1 1   20    3   12 o  247.880   1.9871 -1.161346 3.974135 
1 1 1   20    3   13 o  161.805   2.5115 10.76122 5.022932 
1 1 1   20    3   14 o  268.162   2.2364 2.518829 4.472840 
1 1 1   20    3   15 f  110.032   3.5723 1.488037 7.144544 
1 1 1   20    3   16 o  156.198   2.7149 2.641464 5.429720 
1 1 1   20    3   17 o  198.736   2.3692 4.568497 4.738463 
1 1 1   20    3   18 o  268.479   2.1217 0.6260071 4.243452 
1 1 1   20    3   19 o  300.073   2.1780 -6.765259 4.356099 
1 1 1   20    3   20 o   79.228   5.4444 -4.038300 10.88874 
1 1 1   20    3   21 o  147.949   2.9534 -7.935364 5.906830 
1 1 1   20    3   22 o  186.408   2.4138 0.3054504 4.827541 
1 1 1   20    3   23 o  120.633   3.3950 0.4210968 6.790039 
1 1 1   20    3   24 o  183.251   2.6349 -0.5498657 5.269870 
1 1 1   20    3   25 o  182.952   2.6675 6.700729 5.334963 
1 1 1   20    3   26 o  142.182   3.2274 6.412186 6.454871 
1 1 1   20    3   27 o   70.491   6.4269 16.20128 12.85372 
1 1 1   20    3   28 o  112.759   4.2545 -9.541611 8.509072 
1 1 1   20    3   29 o   31.433   8.9176 7.412861 17.83514 
1 1 1   20    3   30 o   61.222   7.8684 8.800461 15.73688 
1 1 1   20    3   31 o  127.226   3.8130 -0.2214050E-01 7.626033 
1 1 1   20    3   32 o   41.852   8.7847 25.33542 17.56930 
1 1 1   20    3   33 x  ?   ?       ?      ? 
1 1 1   20    4    0 o   99.936   3.8061 0.000000 0.000000 
1 1 1   20    4    1 o  203.565   1.9823 -11.59711 3.964687 
1 1 1   20    4    2 o  338.683   1.9699 -4.493927 3.939815 
1 1 1   20    4    3 o  536.263   2.8707 5.704468 5.741301 
1 1 1   20    4    4 o  333.603   2.7885 30.23846 5.577003 
1 1 1   20    4    5 o  101.383   3.5060 10.40495 7.012020 
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1 1 1   20    4    8 o  378.839   2.3753 2.913605 4.750669 
1 1 1   20    4    9 o  114.226   3.2749 30.89819 6.549891 
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1 1 1   20    4   11 o  250.263   1.9583 2.844391 3.916532 
1 1 1   20    4   12 o  231.965   2.1900 -3.974167 4.380085 
1 1 1   20    4   13 o  252.350   2.3783 18.37695 4.756675 
1 1 1   20    4   14 o  253.940   2.0908 -3.641861 4.181622 
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1 1 1   20    4   16 o  159.868   2.9121 -1.171707 5.824299 
1 1 1   20    4   17 o   95.828   4.3736 17.65583 8.747207 
1 1 1   20    4   18 o  256.723   2.1337 4.353470 4.267350 
1 1 1   20    4   19 o  158.506   2.7953 7.750015 5.590684 
1 1 1   20    4   20 o  188.473   2.3853 0.8393097 4.770570 
1 1 1   20    4   21 o  125.831   3.2572 3.277916 6.514447 
1 1 1   20    4   22 o   29.993   8.7337 -1.612944 17.46734 
1 1 1   20    4   23 o  236.834   2.1567 2.843887 4.313462 
1 1 1   20    4   24 o  227.505   2.3181 -6.861084 4.636116 
1 1 1   20    4   25 o   59.210   7.3991 1.607307 14.79830 
1 1 1   20    4   26 o   76.741   5.7913 15.87363 11.58259 
1 1 1   20    4   27 o  130.911   3.5582 2.297928 7.116384 
1 1 1   20    4   28 o   75.626   6.0923 13.44062 12.18469 
1 1 1   20    4   29 o   32.255   8.9650 6.318975 17.93000 
1 1 1   20    4   30 o  108.577   4.4896 -3.368393 8.979128 
1 1 1   20    4   31 o   26.525   8.4394 1.171938 16.87880 
1 1 1   20    4   32 o   34.148   8.9996 14.70157 17.99924 
1 1 1   20    5    0 o  292.077   3.6432 0.000000 0.000000 
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1 1 1   20    5    2 o  423.963   2.5349 4.263031 5.069836 
1 1 1   20    5    3 f  526.002   3.2621 5.204224 6.524142 
1 1 1   20    5    4 o  374.395   2.3119 3.303436 4.623841 
1 1 1   20    5    5 o  573.910   3.0690 -5.587830 6.137942 
1 1 1   20    5    6 o  185.329   1.9484 -1.778488 3.896801 
1 1 1   20    5    7 o  442.928   2.4595 -3.713806 4.919063 
1 1 1   20    5    8 o  315.576   2.0284 -1.969849 4.056792 
1 1 1   20    5    9 o  292.898   2.1060 20.34586 4.211976 
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1 1 1   20    5   11 o  544.261   2.9524 6.970398 5.904809 
1 1 1   20    5   12 o  165.205   2.6486 -6.528717 5.297256 
1 1 1   20    5   13 o  206.045   2.4437 -17.16954 4.887394 
1 1 1   20    5   14 o  156.495   2.6700 2.602524 5.340045 
1 1 1   20    5   15 o  250.412   2.0691 2.028915 4.138197 
1 1 1   20    5   16 o  127.787   3.5540 -4.258293 7.108088 
1 1 1   20    5   17 o  142.804   2.9923 -8.439529 5.984612 
1 1 1   20    5   18 o  170.505   2.8025 -2.123703 5.605044 
1 1 1   20    5   19 o   63.029   6.8375 -19.83725 13.67508 
1 1 1   20    5   20 o  142.322   2.9631 -0.6508179 5.926188 
1 1 1   20    5   21 o  174.960   2.5605 -8.720627 5.120951 
1 1 1   20    5   22 o  158.156   2.7187 3.950272 5.437399 
1 1 1   20    5   23 o   46.036   8.8791 -11.38079 17.75816 
1 1 1   20    5   24 o  141.403   3.3008 -0.2672424 6.601575 
1 1 1   20    5   25 o  216.122   2.8990 17.84555 5.798015 
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1 1 1   20    5   27 o   85.073   5.1117 10.17239 10.22349 
1 1 1   20    5   28 o   89.274   5.3740 -6.474800 10.74799 
1 1 1   20    5   29 o   29.285   8.7484 1.628908 17.49670 
1 1 1   20    5   30 o   61.489   8.1860 -25.12868 16.37203 
1 1 1   20    5   31 o   48.540   9.3250 11.50234 18.64992 
1 1 1   20    5   32 o   31.088   8.8747 -6.952232 17.74940 
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1 1 1   20    6    7 o  137.845   2.5129 -3.177643 5.025811 
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1 1 1   20    6   14 f  347.434   2.1842 0.8253784 4.368427 
1 1 1   20    6   15 o  285.677   2.0997 0.1614685 4.199489 
1 1 1   20    6   16 o   37.778   8.7568 0.3076172 17.51368 
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1 1 1   20    6   19 o   65.344   6.2369 7.877026 12.47384 
1 1 1   20    6   20 o   75.039   6.1569 -1.955315 12.31379 
1 1 1   20    6   21 o  105.932   3.9139 -12.37435 7.827748 
1 1 1   20    6   22 o   27.537   8.2525 3.793793 16.50498 
1 1 1   20    6   23 o  124.960   3.4697 4.817253 6.939434 
1 1 1   20    6   24 o   24.551   7.7716 -4.627481 15.54325 
1 1 1   20    6   25 o  118.417   3.6163 -2.252228 7.232636 
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1 1 1   20    6   29 o   50.839   8.8686 -4.724056 17.73716 
1 1 1   20    6   30 o   24.167   7.9515 -1.858370 15.90304 
1 1 1   20    6   31 o   20.138   6.9611 -3.975447 13.92213 
1 1 1   20    6   32 o   34.188   8.9502 -1.935280 17.90039 
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1 1 1   20    7    2 o  528.528   2.8436 3.379211 5.687196 
1 1 1   20    7    3 o  369.605   2.1189 -5.173706 4.237843 
1 1 1   20    7    4 o  172.373   1.9610 -0.3415527 3.922069 
1 1 1   20    7    5 o  481.598   2.6221 -5.749786 5.244300 
1 1 1   20    7    6 o  541.449   3.1564 4.802063 6.312790 
1 1 1   20    7    7 o  323.256   2.8148 2.412628 5.629526 
1 1 1   20    7    8 o  171.385   2.8220 11.64693 5.643944 
1 1 1   20    7    9 o  101.331   3.8424 -6.180435 7.684773 
1 1 1   20    7   10 o  331.544   2.0841 -4.034851 4.168155 
1 1 1   20    7   11 o  140.808   2.7349 -7.903000 5.469758 
1 1 1   20    7   12 o  382.998   2.7843 16.28311 5.568567 
1 1 1   20    7   13 o  433.286   2.4767 0.1249084 4.953433 
1 1 1   20    7   14 o  148.295   2.5861 5.601288 5.172139 
1 1 1   20    7   15 o  145.447   2.8153 3.668793 5.630626 
1 1 1   20    7   16 o  296.210   2.1149 6.329498 4.229731 
1 1 1   20    7   17 f   72.545   5.3236 2.625267 10.64719 
1 1 1   20    7   18 o  116.387   3.4832 2.948776 6.966499 
1 1 1   20    7   19 o  271.463   2.1101 -1.513794 4.220298 
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1 1 1   20    7   23 o   65.761   6.3196 9.948345 12.63929 
1 1 1   20    7   24 f  134.684   3.2042 0.9295807 6.408315 
1 1 1   20    7   25 o   28.530   8.4903 3.077724 16.98055 
1 1 1   20    7   26 o  164.742   2.8659 0.3387909 5.731806 
1 1 1   20    7   27 o  144.331   3.2681 -9.878632 6.536249 
1 1 1   20    7   28 o   41.851   9.5380 -5.441582 19.07600 
1 1 1   20    7   29 o   25.369   8.1837 3.665602 16.36742 
1 1 1   20    7   30 o  101.838   4.6254 -3.886986 9.250844 
1 1 1   20    7   31 o   51.311   8.3502 24.88686 16.70033 
1 1 1   20    7   32 o   26.363   8.0708 -9.355165 16.14169 
1 1 1   20    8    0 o  222.089   2.5366 0.000000 0.000000 
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1 1 1   20    8    2 o  424.400   2.3686 1.167603 4.737236 
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1 1 1   20    8    4 o  580.664   3.1072 -1.245972 6.214303 
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1 1 1   20    8    6 o  480.021   3.0404 -9.063599 6.080722 
1 1 1   20    8    7 o  134.624   2.8537 -7.718338 5.707381 
1 1 1   20    8    8 o  118.388   2.8934 -1.555099 5.786872 
1 1 1   20    8    9 o  383.008   2.4014 1.424469 4.802770 
1 1 1   20    8   10 o  321.286   2.0453 0.2868347 4.090529 
1 1 1   20    8   11 f  258.478   2.3067 19.02518 4.613468 
1 1 1   20    8   12 o  235.142   2.1209 -7.738586 4.241866 
1 1 1   20    8   13 o  158.555   2.5006 -4.210327 5.001250 
1 1 1   20    8   14 o  347.452   2.1775 0.6947632 4.355024 
1 1 1   20    8   15 o  206.010   2.2009 -4.627029 4.401875 
1 1 1   20    8   16 o  168.248   2.5109 3.896027 5.021754 
1 1 1   20    8   17 o  295.152   2.3052 5.723206 4.610449 
1 1 1   20    8   18 o  173.250   2.5460 0.5116882 5.092016 
1 1 1   20    8   19 o   49.886   7.9888 2.569324 15.97763 
1 1 1   20    8   20 o   26.764   8.0909 -0.9058838 16.18188 
1 1 1   20    8   21 o  194.901   2.2289 -0.8210449 4.457834 
1 1 1   20    8   22 f   24.177   7.7001 -3.303690 15.40012 
1 1 1   20    8   23 o  200.833   2.4004 -5.017868 4.800875 
1 1 1   20    8   24 o   34.460   9.6334 1.261269 19.26671 
1 1 1   20    8   25 o  130.009   3.3702 9.106956 6.740454 
1 1 1   20    8   26 o   35.812   9.0551 -4.579571 18.11019 
1 1 1   20    8   27 o   32.166   8.8449 -5.243273 17.68982 
1 1 1   20    8   28 o   48.124   9.1013 12.10952 18.20266 
1 1 1   20    8   29 o  150.650   3.2781 -5.764664 6.556256 
1 1 1   20    8   30 f   43.450   9.5550 -9.210445 19.11001 
1 1 1   20    8   31 f   44.845   9.2392 -5.711895 18.47832 
1 1 1   20    8   32 x  ?   ?       ?      ? 
1 1 1   20    9    0 o   49.838   9.9653 0.000000 0.000000 
1 1 1   20    9    1 o  195.592   1.9353 -2.979858 3.870683 
1 1 1   20    9    2 o  255.224   2.3789 -0.1394806 4.757748 
1 1 1   20    9    3 f  170.772   2.0858 4.575623 4.171626 
1 1 1   20    9    4 o  178.001   4.0663      ?      ? 
1 1 1   20    9    5 o  328.378   2.5970 9.427887 5.193965 
1 1 1   20    9    6 o  248.532   1.9046 -1.726639 3.809277 
1 1 1   20    9    7 o  134.063   2.5179 -0.4615784E-01 5.035840 
1 1 1   20    9    8 o  490.995   2.6856 1.336334 5.371286 
1 1 1   20    9    9 o  184.925   2.1746 -8.225922 4.349206 
1 1 1   20    9   10 o  475.696   2.6428 4.196411 5.285691 
1 1 1   20    9   11 o  396.344   2.3319 6.792511 4.663748 
1 1 1   20    9   12 o  430.204   2.4520 -1.218750 4.903922 
1 1 1   20    9   13 o  216.177   2.0817 -7.222229 4.163495 
1 1 1   20    9   14 o  137.974   4.1842 -49.66450 8.368380 
1 1 1   20    9   15 o  206.018   2.2343 2.733124 4.468673 
1 1 1   20    9   16 o  153.791   2.6252 2.961548 5.250437 
1 1 1   20    9   17 o   42.151   8.6704 -5.763206 17.34085 
1 1 1   20    9   18 o  188.136   2.4187 -0.2165680 4.837418 
1 1 1   20    9   19 o   78.753   4.9436 -2.696175 9.887282 
1 1 1   20    9   20 o  146.353   2.6894 3.390152 5.378736 
1 1 1   20    9   21 o   99.225   4.0960 2.275085 8.192069 
1 1 1   20    9   22 o  218.982   2.3257 -4.587891 4.651327 
1 1 1   20    9   23 o   31.455   8.7664 3.588409 17.53281 
1 1 1   20    9   24 o  105.044   4.1249 8.847603 8.249883 
1 1 1   20    9   25 o  139.187   3.2279 2.144043 6.455815 
1 1 1   20    9   26 o   36.056   8.9583 -9.752451 17.91657 
1 1 1   20    9   27 o   62.676   6.7654 0.4919281 13.53083 
1 1 1   20    9   28 o   28.402   8.4728 -0.5290794 16.94559 
1 1 1   20    9   29 o   79.740   5.9909 -2.681107 11.98182 
1 1 1   20    9   30 f   39.960   9.6672 2.350075 19.33435 
1 1 1   20    9   31 o   67.164   6.3768 -7.369953 12.75352 
1 1 1   20   10    0 o  135.504   4.5775 0.000000 0.000000 
1 1 1   20   10    1 o  164.907   4.5484      ?      ? 
1 1 1   20   10    2 o  240.753   2.4426 20.84599 4.885168 
1 1 1   20   10    3 f  273.641   2.3884 -0.6009827 4.776743 
1 1 1   20   10    4 o  204.536   2.2406 -4.044891 4.481173 
1 1 1   20   10    5 o  130.856   2.5697 -1.818344 5.139314 
1 1 1   20   10    6 o   42.407   7.4548 11.96849 14.90965 
1 1 1   20   10    7 o  276.998   2.0878 -0.4638062 4.175621 
1 1 1   20   10    8 o  197.452   2.0848 -6.008102 4.169518 
1 1 1   20   10    9 o  438.914   3.1579 19.08606 6.315832 
1 1 1   20   10   10 o  270.314   2.0143 -4.990997 4.028504 
1 1 1   20   10   11 o  417.480   2.4004 -0.3901062 4.800742 
1 1 1   20   10   12 f  221.530   1.9951 2.194031 3.990255 
1 1 1   20   10   13 f  189.454   2.2207 3.311340 4.441443 
1 1 1   20   10   14 o  213.415   2.2277 4.249954 4.455468 
1 1 1   20   10   15 o  123.622   3.1774 -3.064476 6.354869 
1 1 1   20   10   16 o  296.070   2.0905 0.1200256 4.181091 
1 1 1   20   10   17 o  145.921   2.7419 2.811050 5.483856 
1 1 1   20   10   18 o  161.160   2.6210 9.763107 5.242051 
1 1 1   20   10   19 o  146.271   2.7725 2.483383 5.545033 
1 1 1   20   10   20 o  144.975   2.7453 4.807404 5.490575 
1 1 1   20   10   21 o   55.341   7.2212 -1.765739 14.44241 
1 1 1   20   10   22 o  145.611   2.8689 2.909988 5.737819 
1 1 1   20   10   23 o   88.645   4.5731 3.938248 9.146236 
1 1 1   20   10   24 o  160.315   2.8549 -3.084671 5.709712 
1 1 1   20   10   25 o  180.277   2.6096 3.891708 5.219139 
1 1 1   20   10   26 o   26.216   8.0207 11.06876 16.04144 
1 1 1   20   10   27 o   61.027   7.0864 -13.48732 14.17278 
1 1 1   20   10   28 o   63.537   6.6842 8.697578 13.36837 
1 1 1   20   10   29 o   30.298   8.8751 -9.757713 17.75020 
1 1 1   20   10   30 o  132.660   3.5961 5.398438 7.192209 
1 1 1   20   10   31 o   54.960   7.4817 -3.796635 14.96340 
1 1 1   20   11    0 o  358.803   2.9897 0.000000 0.000000 
1 1 1   20   11    1 o  206.087   1.9207 1.635742 3.841450 
1 1 1   20   11    2 o  444.175   2.4637 -0.2153625 4.927433 
1 1 1   20   11    3 o  195.200   1.9590 -1.079987 3.918011 
1 1 1   20   11    4 o  315.557   1.9840 -0.6285400 3.967915 
1 1 1   20   11    5 o  148.571   2.3825 -0.9612732 4.764968 
1 1 1   20   11    6 o  337.913   2.0712 0.7916260E-01 4.142448 
1 1 1   20   11    7 o  162.836   2.2503 0.8081818 4.500606 
1 1 1   20   11    8 o  334.934   2.2198 12.33258 4.439635 
1 1 1   20   11    9 o  220.404   2.1374 -0.7627869 4.274722 
1 1 1   20   11   10 o  232.137   2.0039 -1.242462 4.007765 
1 1 1   20   11   11 o  203.748   2.0948 1.642639 4.189526 
1 1 1   20   11   12 o  146.994   2.5443 4.803192 5.088564 
1 1 1   20   11   13 o  425.878   2.4399 -1.449310 4.879818 
1 1 1   20   11   14 o  185.418   2.2679 4.294998 4.535722 
1 1 1   20   11   15 o   94.822   3.8275 -0.7908630 7.654976 
1 1 1   20   11   16 o   78.443   4.9551 -4.424736 9.910277 
1 1 1   20   11   17 o  229.466   2.0868 -1.187012 4.173670 
1 1 1   20   11   18 o  111.009   4.0173 1.582016 8.034663 
1 1 1   20   11   19 o  122.149   3.1249 -0.7439194 6.249765 
1 1 1   20   11   20 o  265.651   2.2888 -7.028412 4.577510 
1 1 1   20   11   21 o   71.802   5.8513 -7.827072 11.70261 
1 1 1   20   11   22 o  108.082   3.9368 -10.05667 7.873528 
1 1 1   20   11   23 o  168.790   2.8256 -4.003632 5.651285 
1 1 1   20   11   24 o  185.610   2.5084 -6.454819 5.016799 
1 1 1   20   11   25 o  137.303   3.1122 -4.631927 6.224352 
1 1 1   20   11   26 o  139.624   3.0126 4.933716 6.025274 
1 1 1   20   11   27 o   56.790   7.7605 0.6221046 15.52103 
1 1 1   20   11   28 o   58.492   7.8885 -8.260170 15.77696 
1 1 1   20   11   29 o   51.033   9.2207 -9.750587 18.44133 
1 1 1   20   11   30 o   87.612   4.9101 5.870010 9.820196 
1 1 1   20   11   31 x  ?   ?       ?      ? 
1 1 1   20   12    0 o  174.877   2.9886 0.000000 0.000000 
1 1 1   20   12    1 f  369.051   2.1648 -1.938721 4.329536 
1 1 1   20   12    2 f  120.852   3.1846 -19.39971 6.369125 
1 1 1   20   12    3 o  184.774   2.2681 0.3595581 4.536254 
1 1 1   20   12    4 o  311.519   1.9971 1.749634 3.994152 
1 1 1   20   12    5 o  328.122   2.0527 1.900330 4.105390 
1 1 1   20   12    6 o  446.430   2.8725 4.131592 5.744987 
1 1 1   20   12    7 o  115.538   3.0964 -14.05224 6.192861 
1 1 1   20   12    8 o  526.514   2.8725 -1.006836 5.745055 
1 1 1   20   12    9 o   84.760   4.0241 -0.3045197 8.048173 
1 1 1   20   12   10 o  320.557   2.0734 -5.340057 4.146812 
1 1 1   20   12   11 o  295.705   2.2063 -7.143494 4.412589 
1 1 1   20   12   12 f  231.863   2.0446 -2.134399 4.089154 
1 1 1   20   12   13 o  131.999   2.8020 4.336334 5.603994 
1 1 1   20   12   14 o  101.007   3.6407 0.2404022 7.281443 
1 1 1   20   12   15 o   84.044   4.2362 -4.684105 8.472406 
1 1 1   20   12   16 o  161.990   2.4308 -7.853821 4.861675 
1 1 1   20   12   17 o  274.880   2.0519 -8.109772 4.103780 
1 1 1   20   12   18 o  230.233   2.0935 3.807907 4.187063 
1 1 1   20   12   19 o  111.175   3.6057 12.18594 7.211345 
1 1 1   20   12   20 o   88.326   4.4805 9.521973 8.961084 
1 1 1   20   12   21 o   43.122   8.3536 -10.53576 16.70711 
1 1 1   20   12   22 o   42.548   8.8086 15.51578 17.61728 
1 1 1   20   12   23 o  118.239   3.6923 -4.807411 7.384652 
1 1 1   20   12   24 o  185.788   2.5278 -8.259171 5.055680 
1 1 1   20   12   25 o  144.844   2.9810 -4.656464 5.962077 
1 1 1   20   12   26 o   67.215   6.0609 -4.453209 12.12170 
1 1 1   20   12   27 o   85.829   5.1044 22.44135 10.20875 
1 1 1   20   12   28 o   93.372   4.9412 -0.8746109 9.882417 
1 1 1   20   12   29 f   37.941   9.4389 2.946976 18.87787 
1 1 1   20   12   30 o   74.577   5.4531 1.694077 10.90629 
1 1 1   20   13    0 o  299.225   2.8051 0.000000 0.000000 
1 1 1   20   13    1 o  425.552   2.4169 8.906708 4.833767 
1 1 1   20   13    2 o   76.354   5.1935 15.55037 10.38697 
1 1 1   20   13    3 o  235.990   2.4860 -53.21541 4.971956 
1 1 1   20   13    4 o  390.138   2.2634 -5.955536 4.526820 
1 1 1   20   13    5 o  134.149   2.6112 -1.145691 5.222470 
1 1 1   20   13    6 o  133.863   2.5937 -3.100662 5.187457 
1 1 1   20   13    7 o  666.668   3.5519 -2.449951 7.103742 
1 1 1   20   13    8 f   74.921   4.6078 -4.575996 9.215616 
1 1 1   20   13    9 o  280.790   1.9932 -1.878601 3.986459 
1 1 1   20   13   10 f   47.918   7.3311 -4.607662 14.66223 
1 1 1   20   13   11 o  137.873   2.7112 1.384293 5.422331 
1 1 1   20   13   12 o  195.330   2.1886 -0.2844696 4.377204 
1 1 1   20   13   13 o  232.756   2.0161 4.298569 4.032184 
1 1 1   20   13   14 o  111.934   3.2371 10.46690 6.474245 
1 1 1   20   13   15 o  328.153   2.1216 -2.703033 4.243218 
1 1 1   20   13   16 o   49.922   7.0894 -9.626480 14.17883 
1 1 1   20   13   17 o  270.843   2.0315 0.4887695 4.063000 
1 1 1   20   13   18 o  200.866   2.1313 1.591782 4.262674 
1 1 1   20   13   19 o   59.244   6.2283 1.860413 12.45654 
1 1 1   20   13   20 o   65.818   5.8164 1.823799 11.63276 
1 1 1   20   13   21 o  172.666   2.7368 1.096024 5.473612 
1 1 1   20   13   22 f  119.221   4.1195 -27.09856 8.239036 
1 1 1   20   13   23 o   42.434   8.6353 3.666389 17.27053 
1 1 1   20   13   24 o   89.395   4.5799 -0.7703323 9.159777 
1 1 1   20   13   25 o   24.225   7.7809 2.811255 15.56188 
1 1 1   20   13   26 o   42.774   8.9797 -5.526615 17.95935 
1 1 1   20   13   27 o  144.678   3.1705 -5.732101 6.341022 
1 1 1   20   13   28 o   41.179   8.8977 -14.96584 17.79539 
1 1 1   20   13   29 o   35.618   9.0473 2.569847 18.09468 
1 1 1   20   13   30 o   46.353   9.2363 3.658600 18.47260 
1 1 1   20   14    0 f   43.637   10.059 0.000000 0.000000 
1 1 1   20   14    1 o  166.772   2.3759 -2.938614 4.751776 
1 1 1   20   14    2 o  140.120   2.5080 -9.385696 5.015940 
1 1 1   20   14    3 o  300.698   1.9944 -5.419800 3.988863 
1 1 1   20   14    4 o  125.769   2.7777 0.2214050E-01 5.555452 
1 1 1   20   14    5 o  183.544   2.0864 1.255325 4.172875 
1 1 1   20   14    6 o  373.479   2.2030 -0.7924805 4.406080 
1 1 1   20   14    7 o  248.550   1.9323 3.410934 3.864597 
1 1 1   20   14    8 f  444.384   2.4949 3.504517 4.989882 
1 1 1   20   14    9 o  188.702   2.2779 -0.6582947 4.555759 
1 1 1   20   14   10 o  283.675   1.9820 3.616150 3.964057 
1 1 1   20   14   11 o  201.539   2.0995 1.978195 4.198935 
1 1 1   20   14   12 o  102.615   3.3686 6.194183 6.737106 
1 1 1   20   14   13 f  186.796   2.1426 -2.291428 4.285173 
1 1 1   20   14   14 o  157.932   2.4030 -1.633804 4.805980 
1 1 1   20   14   15 o   21.704   6.9797 -1.116318 13.95943 
1 1 1   20   14   16 o  158.692   2.4669 -1.267731 4.933781 
1 1 1   20   14   17 o  167.092   2.2578 -8.869507 4.515639 
1 1 1   20   14   18 o  122.875   3.2911 3.125565 6.582154 
1 1 1   20   14   19 o  180.882   2.4222 1.353760 4.844437 
1 1 1   20   14   20 o   77.578   4.9012 -11.19958 9.802311 
1 1 1   20   14   21 o  123.703   3.4571 -13.48392 6.914291 
1 1 1   20   14   22 o  120.817   3.3420 -3.967354 6.683942 
1 1 1   20   14   23 o  112.592   3.9094 23.24641 7.818861 
1 1 1   20   14   24 o   73.964   5.3277 3.213699 10.65533 
1 1 1   20   14   25 o  123.275   3.4471 8.588570 6.894108 
1 1 1   20   14   26 o  138.626   3.2817 0.3081665 6.563378 
1 1 1   20   14   27 o  144.232   3.1171 13.43810 6.234203 
1 1 1   20   14   28 o  103.502   4.2214 3.097610 8.442725 
1 1 1   20   14   29 o   26.497   8.0633 -2.293711 16.12651 
1 1 1   20   15    0 o  104.112   4.5760 0.000000 0.000000 
1 1 1   20   15    1 o   72.592   4.6441 -7.678284 9.288278 
1 1 1   20   15    2 o  146.051   2.7624 5.104385 5.524784 
1 1 1   20   15    3 o  205.239   1.9628 1.972961 3.925582 
1 1 1   20   15    4 o  214.501   1.9546 -4.997360 3.909253 
1 1 1   20   15    5 o  189.938   2.0450 -1.637909 4.090036 
1 1 1   20   15    6 o  128.924   2.8150 -0.1524658 5.630041 
1 1 1   20   15    7 o  419.362   2.5835 -5.902557 5.166916 
1 1 1   20   15    8 o  141.447   2.5297 7.054123 5.059430 
1 1 1   20   15    9 o  279.306   2.1761 8.621490 4.352164 
1 1 1   20   15   10 o  303.892   2.2513 4.933319 4.502515 
1 1 1   20   15   11 o   33.785   7.4992 21.40857 14.99831 
1 1 1   20   15   12 o  138.685   2.5423 -6.290436 5.084655 
1 1 1   20   15   13 o  119.034   2.8882 0.5467148 5.776416 
1 1 1   20   15   14 o   65.407   5.0238 -10.36058 10.04763 
1 1 1   20   15   15 o   50.231   6.6929 -10.10451 13.38589 
1 1 1   20   15   16 o  256.794   1.9739 4.490555 3.947779 
1 1 1   20   15   17 o  154.473   2.7104 -8.910370 5.420838 
1 1 1   20   15   18 o   72.970   5.2947 0.8394699 10.58930 
1 1 1   20   15   19 o   68.589   5.3724 4.481056 10.74487 
1 1 1   20   15   20 f   28.849   7.8705 -8.709236 15.74104 
1 1 1   20   15   21 o   17.738   6.2465 8.761020 12.49296 
1 1 1   20   15   22 o   39.819   8.3651 -7.596046 16.73022 
1 1 1   20   15   23 o  132.615   3.1568 9.852104 6.313518 
1 1 1   20   15   24 o   56.855   7.3004 3.037727 14.60087 
1 1 1   20   15   25 o   45.245   8.7057 -4.456844 17.41148 
1 1 1   20   15   26 o   65.435   6.6518 0.7035751 13.30368 
1 1 1   20   15   27 o   73.010   5.7994 3.739876 11.59883 
1 1 1   20   15   28 o   84.737   4.8679 20.54153 9.735833 
1 1 1   20   15   29 o   25.411   8.0499 4.412537 16.09981 
1 1 1   20   16    0 o   86.234   5.5334 0.000000 0.000000 
1 1 1   20   16    1 o  204.314   1.9859 4.033829 3.971714 
1 1 1   20   16    2 o   90.436   3.7243 13.94227 7.448688 
1 1 1   20   16    3 o  381.031   2.3921 0.1597290 4.784184 
1 1 1   20   16    4 o  272.899   2.1169 4.891724 4.233825 
1 1 1   20   16    5 o  170.292   2.1745 7.289200 4.349072 
1 1 1   20   16    6 f  303.205   2.0162 1.424194 4.032440 
1 1 1   20   16    7 o  258.391   1.9675 -1.962433 3.935063 
1 1 1   20   16    8 o   97.895   3.4354 -5.233284 6.870870 
1 1 1   20   16    9 o  179.889   2.0975 0.3866119 4.194912 
1 1 1   20   16   10 o   93.948   3.5227 -3.775887 7.045454 
1 1 1   20   16   11 o  110.402   2.8960 3.790321 5.792039 
1 1 1   20   16   12 o  303.989   2.0335 1.199738 4.067011 
1 1 1   20   16   13 o  258.681   1.9519 1.245178 3.903863 
1 1 1   20   16   14 o   21.928   6.9037 8.416544 13.80743 
1 1 1   20   16   15 o  186.370   2.0483 0.6426544 4.096592 
1 1 1   20   16   16 o   95.983   3.4158 5.045113 6.831587 
1 1 1   20   16   17 o  112.675   3.4334 0.7919235 6.866836 
1 1 1   20   16   18 o   43.282   8.0164 8.697590 16.03289 
1 1 1   20   16   19 o  111.941   3.4128 0.6257553 6.825608 
1 1 1   20   16   20 o   26.772   8.0960 14.02236 16.19196 
1 1 1   20   16   21 f   87.660   4.4141 6.984787 8.828198 
1 1 1   20   16   22 o   88.911   4.5158 -4.103714 9.031549 
1 1 1   20   16   23 o  130.993   3.4317 -7.607262 6.863470 
1 1 1   20   16   24 o   86.763   4.8862 3.351555 9.772394 
1 1 1   20   16   25 o   31.737   8.6391 -4.336182 17.27823 
1 1 1   20   16   26 o   33.710   8.8618 14.90037 17.72366 
1 1 1   20   16   27 o   48.983   8.4786 6.047424 16.95727 
1 1 1   20   16   28 o   65.458   6.7079 5.343880 13.41584 
1 1 1   20   17    0 o  411.906   3.3211 0.000000 0.000000 
1 1 1   20   17    1 o  159.051   2.2858 -0.8951416 4.571654 
1 1 1   20   17    2 o  206.363   2.1531 -6.602722 4.306126 
1 1 1   20   17    3 o  212.608   2.0357 -5.814117 4.071410 
1 1 1   20   17    4 o  191.800   2.3607 4.226425 4.721371 
1 1 1   20   17    5 o   31.972   7.5802 -17.31987 15.16039 
1 1 1   20   17    6 f   18.367   6.3134 0.8699074 12.62682 
1 1 1   20   17    7 o  391.633   2.2869 -3.459747 4.573748 
1 1 1   20   17    8 o  299.951   2.0017 2.600708 4.003462 
1 1 1   20   17    9 o  245.931   1.9367 1.173828 3.873305 
1 1 1   20   17   10 o  180.693   2.1131 -0.4565125 4.226122 
1 1 1   20   17   11 o   79.909   3.8811 -9.998131 7.762245 
1 1 1   20   17   12 o  209.333   1.9555 1.620422 3.910938 
1 1 1   20   17   13 o  140.236   2.3509 2.307053 4.701759 
1 1 1   20   17   14 o  111.100   2.8549 2.100555 5.709802 
1 1 1   20   17   15 o   55.218   5.5332 0.3964386 11.06636 
1 1 1   20   17   16 o   80.785   4.2953 10.54550 8.590640 
1 1 1   20   17   17 o  149.532   2.5577 5.598236 5.115383 
1 1 1   20   17   18 o  137.772   2.8349 6.510086 5.669866 
1 1 1   20   17   19 o   89.840   4.8068 -6.020081 9.613573 
1 1 1   20   17   20 o   26.378   7.9162 11.81432 15.83241 
1 1 1   20   17   21 o  135.768   2.9671 -6.139313 5.934194 
1 1 1   20   17   22 o  173.216   2.5446 4.300461 5.089217 
1 1 1   20   17   23 o   70.449   8.1528 24.70892 16.30552 
1 1 1   20   17   24 o  117.464   3.6211 9.276115 7.242226 
1 1 1   20   17   25 o   61.825   6.9230 24.02768 13.84594 
1 1 1   20   17   26 o   72.149   5.5682 -1.493217 11.13648 
1 1 1   20   17   27 o   97.095   4.2992 13.48562 8.598354 
1 1 1   20   17   28 o   72.669   7.7925 -57.83170 15.58503 
1 1 1   20   18    0 o  143.064   3.5978 0.000000 0.000000 
1 1 1   20   18    1 o  124.298   2.8523 -2.531876 5.704647 
1 1 1   20   18    2 o  301.024   2.1178 -3.263763 4.235605 
1 1 1   20   18    3 o  167.688   2.3750 -3.775192 4.750025 
1 1 1   20   18    4 o  483.698   2.8931 -0.9023438 5.786140 
1 1 1   20   18    5 o  267.735   1.9551 4.175171 3.910142 
1 1 1   20   18    6 o  317.199   2.0325 -0.5772400 4.065080 
1 1 1   20   18    7 o  248.420   1.9599 -0.8557281 3.919864 
1 1 1   20   18    8 o  323.970   2.0674 -0.4884033 4.134855 
1 1 1   20   18    9 o  185.520   2.0080 3.930069 4.016030 
1 1 1   20   18   10 o  193.790   1.9933 5.580521 3.986608 
1 1 1   20   18   11 o  205.652   1.9043 -2.071518 3.808530 
1 1 1   20   18   12 o   86.030   3.5194 -0.9899826 7.038734 
1 1 1   20   18   13 o   89.995   3.2240 -1.034233 6.447938 
1 1 1   20   18   14 o  115.316   2.6399 8.974701 5.279798 
1 1 1   20   18   15 o   20.866   6.7304 -2.027712 13.46073 
1 1 1   20   18   16 o  141.386   2.5884 5.982193 5.176872 
1 1 1   20   18   17 o   16.585   5.8288 4.745548 11.65759 
1 1 1   20   18   18 f   44.064   7.3536 -20.83482 14.70720 
1 1 1   20   18   19 o   32.260   7.6141 -13.86634 15.22825 
1 1 1   20   18   20 o  133.292   2.9267 2.244247 5.853413 
1 1 1   20   18   21 o   65.746   5.7796 -3.332382 11.55923 
1 1 1   20   18   22 o   70.077   5.5658 3.027641 11.13168 
1 1 1   20   18   23 o   56.629   6.9087 5.756596 13.81736 
1 1 1   20   18   24 o   67.601   5.9984 -7.545761 11.99683 
1 1 1   20   18   25 o  124.130   3.3037 1.863434 6.607306 
1 1 1   20   18   26 o   58.178   7.5385 -17.74290 15.07702 
1 1 1   20   18   27 o   59.559   6.9830 -7.636467 13.96591 
1 1 1   20   19    0 o  237.559   2.7506 0.000000 0.000000 
1 1 1   20   19    1 o  243.487   1.9153 -0.3161774 3.830506 
1 1 1   20   19    2 o   60.351   5.6382 -2.200340 11.27630 
1 1 1   20   19    3 o  169.692   2.2373 -1.265289 4.474568 
1 1 1   20   19    4 o  108.244   3.4666 4.311440 6.933225 
1 1 1   20   19    5 o  230.870   1.9424 -1.850403 3.884699 
1 1 1   20   19    6 o  136.529   2.4727 -4.733078 4.945485 
1 1 1   20   19    7 o  164.408   2.1266 -1.424118 4.253105 
1 1 1   20   19    8 o  109.090   2.9249 -4.193016 5.849848 
1 1 1   20   19    9 o  115.970   2.7361 -3.678284 5.472230 
1 1 1   20   19   10 o  235.027   1.8929 -3.148270 3.785848 
1 1 1   20   19   11 o   95.999   3.0621 -3.255821 6.124224 
1 1 1   20   19   12 o  137.339   2.3065 -2.013367 4.612972 
1 1 1   20   19   13 o  186.298   1.9555 7.403900 3.911097 
1 1 1   20   19   14 o   30.689   7.9812 1.175121 15.96242 
1 1 1   20   19   15 f   27.251   7.7890 17.51171 15.57804 
1 1 1   20   19   16 o   60.280   6.1864 -6.704514 12.37290 
1 1 1   20   19   17 o   40.120   6.5039 -36.13516 13.00779 
1 1 1   20   19   18 o   64.071   5.7102 -6.370655 11.42048 
1 1 1   20   19   19 o  144.304   2.7378 5.907822 5.475539 
1 1 1   20   19   20 o   87.160   4.1778 11.82355 8.355519 
1 1 1   20   19   21 o   33.404   8.4761 7.660740 16.95229 
1 1 1   20   19   22 o   19.048   6.5100 3.816607 13.02008 
1 1 1   20   19   23 o   69.090   5.7051 -10.61647 11.41016 
1 1 1   20   19   24 o   91.620   4.2971 0.3643112 8.594179 
1 1 1   20   19   25 o   62.580   6.5378 -4.727600 13.07563 
1 1 1   20   19   26 o   24.952   7.8304 -1.363066 15.66072 
1 1 1   20   20    0 o  132.412   3.7772 0.000000 0.000000 
1 1 1   20   20    1 o  216.014   1.9556 1.170883 3.911195 
1 1 1   20   20    2 o   79.362   4.1019 8.877625 8.203863 
1 1 1   20   20    3 o  108.597   3.1254 7.936493 6.250764 
1 1 1   20   20    4 o  148.193   2.5679 -1.335724 5.135711 
1 1 1   20   20    5 o  124.910   2.6370 3.258659 5.274013 
1 1 1   20   20    6 o  148.887   2.3112 -7.084534 4.622299 
1 1 1   20   20    7 f  128.967   2.5219 8.105850 5.043854 
1 1 1   20   20    8 o  111.340   2.7538 -9.205101 5.507637 
1 1 1   20   20    9 o  245.980   1.8877 -2.879303 3.775422 
1 1 1   20   20   10 o   94.158   3.1387 6.718445 6.277406 
1 1 1   20   20   11 o   62.820   4.5682 4.121017 9.136407 
1 1 1   20   20   12 o   20.668   6.4964 4.327160 12.99289 
1 1 1   20   20   13 o   38.971   8.0772 7.360435 16.15446 
1 1 1   20   20   14 o  164.188   2.2819 4.390564 4.563893 
1 1 1   20   20   15 o   52.409   8.0573 -33.72748 16.11452 
1 1 1   20   20   16 o   88.103   4.1235 5.984215 8.246986 
1 1 1   20   20   17 o  100.529   3.4642 4.941551 6.928343 
1 1 1   20   20   18 o   59.911   5.5518 19.17993 11.10365 
1 1 1   20   20   19 o   72.023   4.9746 0.4368744 9.949265 
1 1 1   20   20   20 o  103.944   3.6422 0.8577957 7.284421 
1 1 1   20   20   21 o   62.046   6.6070 -13.90337 13.21403 
1 1 1   20   20   22 o  133.380   3.0241 2.790298 6.048234 
1 1 1   20   20   23 f   61.691   6.6243 0.5038605 13.24863 
1 1 1   20   20   24 o   28.856   8.8873 10.74787 17.77465 
1 1 1   20   20   25 o   30.689   8.5896 9.239729 17.17918 
1 1 1   20   21    0 f  263.499   2.6882 0.000000 0.000000 
1 1 1   20   21    1 o  123.789   2.6581 -0.2454987 5.316267 
1 1 1   20   21    2 o   64.999   4.9323 11.93206 9.864574 
1 1 1   20   21    3 o   24.323   7.2882 3.829752 14.57633 
1 1 1   20   21    4 o   31.732   7.8267 -21.70178 15.65341 
1 1 1   20   21    5 o  109.516   2.9719 9.704765 5.943823 
1 1 1   20   21    6 o  147.647   2.2457 -0.4809570 4.491306 
1 1 1   20   21    7 o  132.519   2.3999 -1.896194 4.799840 
1 1 1   20   21    8 o   96.536   3.1447 4.085609 6.289412 
1 1 1   20   21    9 o   16.865   5.7719 -1.406527 11.54388 
1 1 1   20   21   10 o   92.155   4.5184 -14.59245 9.036707 
1 1 1   20   21   11 f  143.738   3.0176 2.056137 6.035214 
1 1 1   20   21   12 o   41.104   8.8777 2.475056 17.75547 
1 1 1   20   21   13 o  110.900   4.0791 -7.334229 8.158154 
1 1 1   20   21   14 o   45.072   8.4728 19.06013 16.94556 
1 1 1   20   21   15 o   95.288   4.4075 -0.3004303 8.815065 
1 1 1   20   21   16 o  166.726   2.8876 -8.768478 5.775203 
1 1 1   20   21   17 o   49.994   8.4379 2.330982 16.87576 
1 1 1   20   21   18 o   28.599   7.5645 -1.935265 15.12908 
1 1 1   20   21   19 o   99.062   5.0791 3.298027 10.15825 
1 1 1   20   21   20 o   72.464   5.0590 0.4923248E-01 10.11806 
1 1 1   20   21   21 o   68.396   5.7452 -4.542847 11.49035 
1 1 1   20   21   22 o   45.496   8.0812 -25.42208 16.16238 
1 1 1   20   21   23 o   34.418   8.7983 4.664116 17.59655 
1 1 1   20   21   24 o   33.931   8.7947 3.148556 17.58945 
1 1 1   20   21   25 o   21.225   7.0776 3.396427 14.15522 
1 1 1   20   22    0 o  168.786   2.9972 0.000000 0.000000 
1 1 1   20   22    1 o  123.807   2.6731 -3.121826 5.346116 
1 1 1   20   22    2 o   54.125   6.2159 14.66469 12.43175 
1 1 1   20   22    3 o   42.528   7.4239 -2.912327 14.84781 
1 1 1   20   22    4 o  223.041   2.0986 6.866943 4.197294 
1 1 1   20   22    5 o   59.618   5.8105 -24.46245 11.62092 
1 1 1   20   22    6 o   44.672   6.8688 29.44325 13.73768 
1 1 1   20   22    7 f   59.810   5.0350 -12.40390 10.06996 
1 1 1   20   22    8 o  186.853   1.9461 3.569794 3.892276 
1 1 1   20   22    9 o  289.515   2.3724 -0.5390015 4.744730 
1 1 1   20   22   10 o  150.406   2.9871 -2.603806 5.974281 
1 1 1   20   22   11 o   63.452   6.8520 2.061756 13.70397 
1 1 1   20   22   12 o   63.355   8.2627 -11.44009 16.52531 
1 1 1   20   22   13 o   20.599   6.9966 3.290947 13.99326 
1 1 1   20   22   14 o  150.307   3.0800 3.968765 6.159976 
1 1 1   20   22   15 o  175.655   2.6762 -2.602585 5.352388 
1 1 1   20   22   16 o   63.996   6.5422 -3.290867 13.08448 
1 1 1   20   22   17 o  101.975   4.3288 0.2294006 8.657533 
1 1 1   20   22   18 o   72.094   5.9535 -11.97989 11.90699 
1 1 1   20   22   19 o   59.726   7.6199 19.99173 15.23971 
1 1 1   20   22   20 o   34.182   9.8668 -0.3819351 19.73361 
1 1 1   20   22   21 o   56.244   6.8669 1.847347 13.73373 
1 1 1   20   22   22 o   96.517   4.0152 -0.1280899 8.030377 
1 1 1   20   22   23 o   22.560   7.3105 2.418184 14.62109 
1 1 1   20   22   24 o   32.511   8.8309 11.98444 17.66174 
1 1 1   20   23    0 o  206.009   2.7999 0.000000 0.000000 
1 1 1   20   23    1 o   68.646   4.7391 7.590981 9.478164 
1 1 1   20   23    2 o  118.345   2.8290 -4.929428 5.657982 
1 1 1   20   23    3 o   59.552   5.2687 -7.906403 10.53737 
1 1 1   20   23    4 o  128.003   2.7611 -1.927048 5.522234 
1 1 1   20   23    5 o  168.041   2.1166 3.027252 4.233245 
1 1 1   20   23    6 f   90.421   3.4651 -4.851448 6.930163 
1 1 1   20   23    7 o   98.495   3.0468 4.067108 6.093555 
1 1 1   20   23    8 o   77.445   5.2308 1.696953 10.46165 
1 1 1   20   23    9 o   87.396   5.6948 6.871758 11.38960 
1 1 1   20   23   10 o  189.519   2.7568 -8.399734 5.513522 
1 1 1   20   23   11 o   59.028   7.6579 -30.86071 15.31587 
1 1 1   20   23   12 o   71.584   5.7663 -4.799377 11.53257 
1 1 1   20   23   13 f   75.296   5.4999 16.38525 10.99988 
1 1 1   20   23   14 o   76.900   5.8259 31.99751 11.65181 
1 1 1   20   23   15 o   21.895   7.2900 -1.165941 14.57994 
1 1 1   20   23   16 o   83.340   5.1804 18.06617 10.36084 
1 1 1   20   23   17 o  137.631   3.3474 -0.7770844 6.694825 
1 1 1   20   23   18 o  102.491   5.3481 17.62222 10.69617 
1 1 1   20   23   19 o  107.146   4.2501 -3.950523 8.500120 
1 1 1   20   23   20 o   33.853   8.7091 -20.09256 17.41813 
1 1 1   20   23   21 o   84.288   5.3614 12.80782 10.72275 
1 1 1   20   23   22 o   26.978   7.0294 -12.71848 14.05872 
1 1 1   20   23   23 o   40.779   6.8175 -30.77073 13.63508 
1 1 1   20   24    0 o   16.891   8.2585 0.000000 0.000000 
1 1 1   20   24    1 o  169.736   2.1365 4.963547 4.272974 
1 1 1   20   24    2 o  190.993   2.0383 -1.907532 4.076648 
1 1 1   20   24    3 o  107.380   2.9922 -2.882385 5.984457 
1 1 1   20   24    4 o  126.006   2.9427 -0.6458359 5.885322 
1 1 1   20   24    5 f   37.209   6.5244 28.12065 13.04884 
1 1 1   20   24    6 o   34.115   7.6576 5.673128 15.31528 
1 1 1   20   24    7 o  139.482   3.6098 -4.922089 7.219562 
1 1 1   20   24    8 o   43.217   8.9935 -5.589333 17.98695 
1 1 1   20   24    9 o  107.618   4.1713 8.747879 8.342537 
1 1 1   20   24   10 o  112.407   3.6698 -2.131241 7.339581 
1 1 1   20   24   11 o  126.374   3.4884 3.226250 6.976708 
1 1 1   20   24   12 f   88.617   4.6875 5.028282 9.374926 
1 1 1   20   24   13 o  222.652   2.4186 -8.049850 4.837273 
1 1 1   20   24   14 o  117.230   4.5810 -0.3883820 9.162032 
1 1 1   20   24   15 o   95.374   4.5776 10.52140 9.155137 
1 1 1   20   24   16 o   36.047   9.7609 22.95295 19.52175 
1 1 1   20   24   17 o   37.942   8.8146 -17.75929 17.62923 
1 1 1   20   24   18 o   71.235   6.5240 -13.84581 13.04799 
1 1 1   20   24   19 o   29.644   8.6790 9.027346 17.35793 
1 1 1   20   24   20 o   48.761   8.3484 28.99774 16.69678 
1 1 1   20   24   21 o   42.277   9.4951 -5.100552 18.99030 
1 1 1   20   24   22 x  ?   ?       ?      ? 
1 1 1   20   25    0 o  138.017   4.2975 0.000000 0.000000 
1 1 1   20   25    1 o   74.053   6.4452 41.53896 12.89036 
1 1 1   20   25    2 o   56.575   6.5045 -33.31652 13.00900 
1 1 1   20   25    3 o  125.068   2.6507 -9.186920 5.301354 
1 1 1   20   25    4 o   24.101   7.2333 5.129480 14.46658 
1 1 1   20   25    5 o  131.893   2.5519 -2.657959 5.103774 
1 1 1   20   25    6 o  106.195   3.0351 4.731308 6.070160 
1 1 1   20   25    7 o   38.081   8.9695 -7.984890 17.93893 
1 1 1   20   25    8 o   72.450   5.6309 -8.106590 11.26187 
1 1 1   20   25    9 o  128.951   3.3768 0.4962921 6.753548 
1 1 1   20   25   10 o  105.526   3.9466 6.193825 7.893151 
1 1 1   20   25   11 o   21.050   7.0602 -4.294500 14.12031 
1 1 1   20   25   12 o   27.381   8.3269 -1.056456 16.65385 
1 1 1   20   25   13 o   31.271   8.7749 -5.382448 17.54973 
1 1 1   20   25   14 o  127.941   4.1739 5.817596 8.347713 
1 1 1   20   25   15 o   79.096   5.5455 11.06947 11.09107 
1 1 1   20   25   16 f   90.890   4.8884 5.207314 9.776835 
1 1 1   20   25   17 o   27.577   8.4623 4.169344 16.92464 
1 1 1   20   25   18 o   43.457   9.4675 0.4014587E-01 18.93504 
1 1 1   20   25   19 o   71.589   6.5330 8.824730 13.06591 
1 1 1   20   25   20 o   36.568   9.7510 -0.6065826 19.50202 
1 1 1   20   26    0 o   17.669   8.6042 0.000000 0.000000 
1 1 1   20   26    1 o  127.371   2.6859 -3.532455 5.371787 
1 1 1   20   26    2 o   61.189   5.4803 -0.7650108 10.96067 
1 1 1   20   26    3 o   70.145   4.5756 4.895210 9.151294 
1 1 1   20   26    4 o  166.116   2.1534 -4.539795 4.306731 
1 1 1   20   26    5 o   29.579   7.6729 3.906475 15.34584 
1 1 1   20   26    6 f   21.005   6.6372 -0.1325912 13.27431 
1 1 1   20   26    7 o   48.642   8.3114 5.448780 16.62288 
1 1 1   20   26    8 o  141.685   3.0315 2.384109 6.062911 
1 1 1   20   26    9 f   56.490   7.7204 0.8398743 15.44084 
1 1 1   20   26   10 o   83.420   5.2086 2.977303 10.41713 
1 1 1   20   26   11 f   24.698   7.8708 -1.726114 15.74169 
1 1 1   20   26   12 o   30.720   9.3291 11.30665 18.65812 
1 1 1   20   26   13 o  110.316   3.8951 -0.5389175 7.790299 
1 1 1   20   26   14 o   39.880   9.2515 -1.902908 18.50308 
1 1 1   20   26   15 o   26.117   8.2144 -3.564075 16.42884 
1 1 1   20   26   16 f   43.265   9.0651 6.068565 18.13014 
1 1 1   20   26   17 f   88.164   5.0422 10.40276 10.08444 
1 1 1   20   26   18 o   41.696   8.8637 15.89368 17.72731 
1 1 1   20   26   19 o   61.244   7.6146 -15.20103 15.22927 
1 1 1   20   27    0 o   29.347   10.839 0.000000 0.000000 
1 1 1   20   27    1 f   94.990   3.5947 5.600487 7.189307 
1 1 1   20   27    2 o   29.976   8.1227 2.793421 16.24545 
1 1 1   20   27    3 o   39.175   7.6784 8.972160 15.35686 
1 1 1   20   27    4 o   59.084   5.7268 14.69102 11.45364 
1 1 1   20   27    5 o   68.608   4.6080 -0.3946304 9.215976 
1 1 1   20   27    6 o   55.037   7.5431 20.78447 15.08622 
1 1 1   20   27    7 o   92.334   4.5672 -8.592087 9.134391 
1 1 1   20   27    8 o   46.179   7.8115 -28.40802 15.62308 
1 1 1   20   27    9 f   35.676   9.7307 10.24163 19.46148 
1 1 1   20   27   10 o   39.354   9.1365 -4.490112 18.27296 
1 1 1   20   27   11 o   35.616   8.9941 6.204216 17.98820 
1 1 1   20   27   12 o   29.035   8.5060 8.162004 17.01190 
1 1 1   20   27   13 o   39.988   7.7852 32.58776 15.57032 
1 1 1   20   27   14 o   55.551   7.9346 1.415684 15.86917 
1 1 1   20   27   15 f   35.580   9.3358 0.3477325 18.67154 
1 1 1   20   27   16 o   55.255   8.2278 -5.928608 16.45568 
1 1 1   20   27   17 o   26.308   8.2587 -4.758808 16.51734 
1 1 1   20   27   18 x  ?   ?       ?      ? 
1 1 1   20   28    0 o   20.789   9.5914 0.000000 0.000000 
1 1 1   20   28    1 o   26.430   7.7826 3.336588 15.56521 
1 1 1   20   28    2 o   89.059   3.9641 -8.452621 7.928108 
1 1 1   20   28    3 o   68.293   4.7665 -4.127892 9.533006 
1 1 1   20   28    4 o   22.489   7.0501 -8.043013 14.10025 
1 1 1   20   28    5 o   38.733   7.2541 15.78168 14.50814 
1 1 1   20   28    6 o   24.828   7.8401 -6.316158 15.68012 
1 1 1   20   28    7 o   25.176   8.0050 -0.9840050 16.00995 
1 1 1   20   28    8 o   61.021   7.0293 -7.038654 14.05853 
1 1 1   20   28    9 o   67.336   6.4585 3.659248 12.91698 
1 1 1   20   28   10 o   71.240   6.0390 -2.464355 12.07793 
1 1 1   20   28   11 o   38.870   8.9322 12.58946 17.86435 
1 1 1   20   28   12 o   92.405   4.7492 11.00291 9.498447 
1 1 1   20   28   13 o   28.615   8.5969 10.56935 17.19387 
1 1 1   20   28   14 o  122.898   3.7224 -12.73286 7.444850 
1 1 1   20   28   15 o   34.928   9.1864 -2.988949 18.37283 
1 1 1   20   28   16 o   20.444   7.0234 -0.4208565E-01 14.04670 
1 1 1   20   29    0 o   79.200   6.6820 0.000000 0.000000 
1 1 1   20   29    1 o  133.823   2.7597 -4.897888 5.519375 
1 1 1   20   29    2 o   32.756   8.3080 -6.774202 16.61601 
1 1 1   20   29    3 o   29.540   7.9339 -11.50422 15.86784 
1 1 1   20   29    4 o   49.815   7.3678 -5.257717 14.73556 
1 1 1   20   29    5 f   34.258   7.6372 4.119015 15.27434 
1 1 1   20   29    6 o   38.995   9.2974 1.737411 18.59477 
1 1 1   20   29    7 o   23.674   7.7341 4.923878 15.46826 
1 1 1   20   29    8 o   29.484   8.5357 10.47623 17.07137 
1 1 1   20   29    9 o   31.604   8.4907 18.84992 16.98141 
1 1 1   20   29   10 o   44.200   8.9945 6.047981 17.98910 
1 1 1   20   29   11 o  104.813   4.8160 -5.589104 9.631927 
1 1 1   20   29   12 o   58.192   7.8679 -0.8170319 15.73584 
1 1 1   20   29   13 o   52.043   8.3583 -6.994522 16.71667 
1 1 1   20   29   14 o   47.097   8.9222 -6.210697 17.84450 
1 1 1   20   30    0 o   17.191   8.5225 0.000000 0.000000 
1 1 1   20   30    1 o   27.542   7.4468 -19.19485 14.89353 
1 1 1   20   30    2 o   29.372   7.8483 13.40542 15.69656 
1 1 1   20   30    3 o   69.342   5.6474 -20.55997 11.29486 
1 1 1   20   30    4 o   38.728   7.9417 1.966164 15.88341 
1 1 1   20   30    5 o   39.782   8.1647 -14.14142 16.32945 
1 1 1   20   30    6 o   30.494   8.9204 2.327223 17.84089 
1 1 1   20   30    7 o   72.064   6.0642 1.243759 12.12832 
1 1 1   20   30    8 o   42.569   10.061 -12.71803 20.12123 
1 1 1   20   30    9 o   41.947   9.6378 9.122383 19.27556 
1 1 1   20   30   10 o   38.161   8.5415 19.33562 17.08302 
1 1 1   20   30   11 o   25.188   7.9718 -1.015629 15.94361 
1 1 1   20   30   12 x  ?   ?       ?      ? 
1 1 1   20   31    0 o   57.049   10.240 0.000000 0.000000 
1 1 1   20   31    1 o   91.114   4.7466 10.95811 9.493144 
1 1 1   20   31    2 o   37.166   8.4374 -10.89870 16.87487 
1 1 1   20   31    3 o   79.233   5.3171 5.836220 10.63414 
1 1 1   20   31    4 o   50.971   7.0297 3.386673 14.05944 
1 1 1   20   31    5 o   33.627   8.8946 12.99960 17.78930 
1 1 1   20   31    6 o   35.356   9.1661 -11.71250 18.33214 
1 1 1   20   31    7 o   21.000   7.1676 1.089046 14.33515 
1 1 1   20   31    8 o   27.795   8.5006 -8.053123 17.00127 
1 1 1   20   31    9 x  ?   ?       ?      ? 
1 1 1   20   32    0 o   41.612   13.838 0.000000 0.000000 
1 1 1   20   32    1 o   22.126   7.2246 -15.12118 14.44930 
1 1 1   20   32    2 o   46.547   7.5951 22.08202 15.19029 
1 1 1   20   32    3 o   15.861   5.7001 -4.431415 11.40026 
1 1 1   21    0    1 o   69.498   5.8966 0.000000 0.000000 
1 1 1   21    0    2 o  124.375   3.3725 0.000000 0.000000 
1 1 1   21    0    3 o  241.292   2.5229 0.000000 0.000000 
1 1 1   21    0    4 o  295.356   2.6651 0.000000 0.000000 
1 1 1   21    0    5 o  448.063   3.4898 0.000000 0.000000 
1 1 1   21    0    6 o  158.104   3.2337 0.000000 0.000000 
1 1 1   21    0    7 o  108.133   6.4189 0.000000 0.000000 
1 1 1   21    0    8 o   86.223   5.6674 0.000000 0.000000 
1 1 1   21    0    9 o   47.738   11.282 0.000000 0.000000 
1 1 1   21    0   10 f   15.414   7.7671 0.000000 0.000000 
1 1 1   21    0   11 o   61.254   9.4241 0.000000 0.000000 
1 1 1   21    0   12 o  138.771   4.0473 0.000000 0.000000 
1 1 1   21    0   13 o  420.275   3.4551 0.000000 0.000000 
1 1 1   21    0   14 o  226.466   3.0485 0.000000 0.000000 
1 1 1   21    0   15 o  272.920   2.9490 0.000000 0.000000 
1 1 1   21    0   16 o  129.712   6.1705 0.000000 0.000000 
1 1 1   21    0   17 o  269.623   3.0077 0.000000 0.000000 
1 1 1   21    0   18 o   31.963   12.312 0.000000 0.000000 
1 1 1   21    0   19 o  237.532   3.8923 0.000000 0.000000 
1 1 1   21    0   20 o   35.610   12.439 0.000000 0.000000 
1 1 1   21    0   21 o  113.011   4.9595 0.000000 0.000000 
1 1 1   21    0   22 o  207.149   3.2335 0.000000 0.000000 
1 1 1   21    0   23 o   89.612   6.3314 0.000000 0.000000 
1 1 1   21    0   24 o   18.204   9.0212 0.000000 0.000000 
1 1 1   21    0   25 o  119.745   5.0707 0.000000 0.000000 
1 1 1   21    0   26 o   24.397   10.861 0.000000 0.000000 
1 1 1   21    0   27 o   86.812   8.0418 0.000000 0.000000 
1 1 1   21    0   28 o   20.491   9.8907 0.000000 0.000000 
1 1 1   21    0   29 o   29.700   12.671 0.000000 0.000000 
1 1 1   21    0   30 f   61.362   13.019 0.000000 0.000000 
1 1 1   21    0   31 o   23.374   11.021 0.000000 0.000000 
1 1 1   21    0   32 o  168.605   6.4012 0.000000 0.000000 
1 1 1   21    1    0 x  ?   ?       ?      ? 
1 1 1   21    1    1 o   74.864   3.7739 3.304863 7.547727 
1 1 1   21    1    2 o  384.974   2.1790 -0.1037598E-02 4.358027 
1 1 1   21    1    3 o  425.182   2.3545 -0.1022034 4.708915 
1 1 1   21    1    4 o  221.038   1.9559 7.100540 3.911850 
1 1 1   21    1    5 o  361.925   2.1093 -2.309814 4.218513 
1 1 1   21    1    6 o  140.228   2.4497 0.4940338 4.899468 
1 1 1   21    1    7 o  242.278   2.1556 5.858643 4.311252 
1 1 1   21    1    8 o  333.409   2.0676 4.066254 4.135106 
1 1 1   21    1    9 o  188.425   2.0735 1.704361 4.146970 
1 1 1   21    1   10 o  267.542   1.9483 0.5441284E-01 3.896612 
1 1 1   21    1   11 o  282.203   2.0143 3.224640 4.028645 
1 1 1   21    1   12 o  412.161   2.3899 -5.763763 4.779899 
1 1 1   21    1   13 o   77.911   4.7080 -11.69498 9.416044 
1 1 1   21    1   14 o  266.374   2.0592 0.7427368 4.118440 
1 1 1   21    1   15 o  214.190   2.1781 2.615906 4.356134 
1 1 1   21    1   16 o  413.632   2.4191 1.048035 4.838133 
1 1 1   21    1   17 o  173.814   2.5210 3.166672 5.041925 
1 1 1   21    1   18 f  200.835   2.3178 5.156876 4.635674 
1 1 1   21    1   19 o   50.484   8.0379 6.816807 16.07579 
1 1 1   21    1   20 o  204.184   2.2944 -2.980392 4.588894 
1 1 1   21    1   21 o   84.308   4.6282 3.192871 9.256443 
1 1 1   21    1   22 o  236.609   2.1286 1.342773 4.257258 
1 1 1   21    1   23 o  137.885   2.9373 -4.935837 5.874566 
1 1 1   21    1   24 o   87.401   4.7151 -0.4205170 9.430153 
1 1 1   21    1   25 o  134.821   3.2262 -0.7217865 6.452482 
1 1 1   21    1   26 o   89.865   4.7924 -19.21114 9.584702 
1 1 1   21    1   27 o   72.058   6.4413 -10.05119 12.88261 
1 1 1   21    1   28 o   34.890   9.1544 -12.25909 18.30884 
1 1 1   21    1   29 o   89.810   5.2071 -7.194931 10.41421 
1 1 1   21    1   30 o   61.233   8.0126 -0.9717178E-01 16.02522 
1 1 1   21    1   31 o  103.266   4.5203 -5.360619 9.040534 
1 1 1   21    1   32 o   64.211   6.9254 21.65341 13.85082 
1 1 1   21    2    0 f  393.562   3.1332 0.000000 0.000000 
1 1 1   21    2    1 o  863.834   4.5396 4.039612 9.079110 
1 1 1   21    2    2 o  370.424   2.2926 1.331390 4.585214 
1 1 1   21    2    3 o  333.831   1.9805 -3.044220 3.961038 
1 1 1   21    2    4 o  600.150   3.1980 -0.9392090 6.396095 
1 1 1   21    2    5 o  197.122   1.9274 1.380890 3.854833 
1 1 1   21    2    6 o  169.249   2.1297 5.536163 4.259386 
1 1 1   21    2    7 o  460.286   2.7456 4.568512 5.491109 
1 1 1   21    2    8 o  103.769   3.5826 -11.52744 7.165267 
1 1 1   21    2    9 o  218.162   1.9741 1.087692 3.948184 
1 1 1   21    2   10 o  365.012   2.1814 -2.130554 4.362806 
1 1 1   21    2   11 o  148.702   2.6418 3.066254 5.283602 
1 1 1   21    2   12 o  209.564   2.1335 -1.990616 4.267083 
1 1 1   21    2   13 o  131.816   2.9916 8.511139 5.983217 
1 1 1   21    2   14 o  115.743   3.2976 1.913895 6.595253 
1 1 1   21    2   15 o  225.997   2.4971 -8.811951 4.994146 
1 1 1   21    2   16 o  101.839   3.9875 3.139656 7.975053 
1 1 1   21    2   17 o  194.519   2.3515 -0.4725647 4.703028 
1 1 1   21    2   18 o  252.569   2.1445 -2.310242 4.288962 
1 1 1   21    2   19 o  259.449   2.1008 -2.842041 4.201569 
1 1 1   21    2   20 o  159.189   2.6853 -9.284485 5.370528 
1 1 1   21    2   21 o  141.020   2.9303 7.024780 5.860598 
1 1 1   21    2   22 o  139.426   2.9443 3.535950 5.888696 
1 1 1   21    2   23 o   95.031   4.1271 -6.630829 8.254189 
1 1 1   21    2   24 f  171.963   2.6095 0.4748688 5.219072 
1 1 1   21    2   25 o   49.193   7.7693 31.41537 15.53866 
1 1 1   21    2   26 o   38.944   8.9477 15.44697 17.89536 
1 1 1   21    2   27 o   28.564   8.5301 -11.08942 17.06010 
1 1 1   21    2   28 f  100.881   4.6250 13.13737 9.249905 
1 1 1   21    2   29 o   87.879   5.3690 8.284103 10.73791 
1 1 1   21    2   30 o   76.345   6.2627 10.58717 12.52534 
1 1 1   21    2   31 o   25.702   8.1206 6.607161 16.24114 
1 1 1   21    2   32 o   63.037   6.9583 -27.94497 13.91666 
1 1 1   21    3    0 o  485.130   4.5551 0.000000 0.000000 
1 1 1   21    3    1 o   97.343   3.1672 -5.860931 6.334418 
1 1 1   21    3    2 o  512.852   2.7637 -5.191406 5.527498 
1 1 1   21    3    3 o  519.825   2.7986 0.1514282 5.597239 
1 1 1   21    3    4 o  312.346   1.9440 2.207947 3.887911 
1 1 1   21    3    5 o  300.918   1.9200 -5.121124 3.840065 
1 1 1   21    3    6 o  144.565   2.9613 24.74628 5.922679 
1 1 1   21    3    7 o  487.923   2.6771 6.510803 5.354276 
1 1 1   21    3    8 o  375.492   2.2028 -5.429291 4.405559 
1 1 1   21    3    9 o  317.505   2.0259 -0.2818604 4.051728 
1 1 1   21    3   10 f  394.686   2.2852 -1.646332 4.570486 
1 1 1   21    3   11 o  193.084   2.4474 3.077759 4.894888 
1 1 1   21    3   12 o  256.834   2.1671 6.014954 4.334200 
1 1 1   21    3   13 o  154.027   2.5632 5.679581 5.126403 
1 1 1   21    3   14 o  151.252   2.6230 -1.162323 5.245978 
1 1 1   21    3   15 o   95.382   4.0612 10.44907 8.122410 
1 1 1   21    3   16 o  443.825   2.5424 -3.752228 5.084839 
1 1 1   21    3   17 o  146.164   2.8720 -1.588623 5.744041 
1 1 1   21    3   18 o  230.450   2.1755 7.476059 4.351078 
1 1 1   21    3   19 o  162.495   2.6373 2.606537 5.274570 
1 1 1   21    3   20 o  168.072   2.5561 3.601242 5.112185 
1 1 1   21    3   21 o  162.258   2.6541 -3.546616 5.308234 
1 1 1   21    3   22 o  200.856   2.2591 1.937317 4.518261 
1 1 1   21    3   23 o   51.546   7.4399 15.25890 14.87977 
1 1 1   21    3   24 o  101.198   4.1244 -6.889030 8.248835 
1 1 1   21    3   25 o  261.125   2.3894 -4.204895 4.778849 
1 1 1   21    3   26 o   56.647   7.6487 -2.756573 15.29732 
1 1 1   21    3   27 o  152.873   3.1223 0.1388550 6.244550 
1 1 1   21    3   28 o   28.384   8.4012 14.04307 16.80240 
1 1 1   21    3   29 o   89.216   5.3424 2.774567 10.68476 
1 1 1   21    3   30 o   79.426   5.8839 -10.53836 11.76787 
1 1 1   21    3   31 o   21.441   7.2475 2.872744 14.49509 
1 1 1   21    3   32 o   61.766   7.2096 -12.05130 14.41917 
1 1 1   21    4    0 o   23.714   9.8098 0.000000 0.000000 
1 1 1   21    4    1 o   78.688   3.7028 -4.595596 7.405601 
1 1 1   21    4    2 o  162.358   2.2825 11.32809 4.565060 
1 1 1   21    4    3 o  184.105   1.9161 -6.357697 3.832114 
1 1 1   21    4    4 o  317.715   1.9697 0.8809204 3.939322 
1 1 1   21    4    5 o  213.623   2.0694 -9.888718 4.138831 
1 1 1   21    4    6 o  473.183   3.3243 35.25177 6.648643 
1 1 1   21    4    7 o  298.212   1.9684 -3.063812 3.936800 
1 1 1   21    4    8 o  113.477   3.0319 -6.940804 6.063770 
1 1 1   21    4    9 o  194.272   2.1005 0.9853668 4.201009 
1 1 1   21    4   10 o  276.549   1.9852 -3.843018 3.970450 
1 1 1   21    4   11 o  321.628   2.9988 6.275146 5.997614 
1 1 1   21    4   12 o  204.044   2.1549 3.396271 4.309856 
1 1 1   21    4   13 o  225.058   2.0923 -4.497498 4.184505 
1 1 1   21    4   14 o  183.115   2.3307 0.9527740 4.661391 
1 1 1   21    4   15 o  254.282   2.0825 -1.366318 4.164940 
1 1 1   21    4   16 f  108.544   3.5923 -5.702324 7.184686 
1 1 1   21    4   17 o  290.161   2.0981 1.614441 4.196239 
1 1 1   21    4   18 o  194.124   2.3246 7.657623 4.649265 
1 1 1   21    4   19 o  145.925   2.8408 6.646713 5.681509 
1 1 1   21    4   20 o  310.441   2.1141 0.1513977 4.228255 
1 1 1   21    4   21 o   79.584   5.3982 3.470299 10.79649 
1 1 1   21    4   22 o  111.888   3.5779 -1.878105 7.155771 
1 1 1   21    4   23 o  190.628   2.3575 -1.251801 4.714958 
1 1 1   21    4   24 o  109.326   3.8575 -23.86092 7.715054 
1 1 1   21    4   25 o  138.435   3.3499 4.417969 6.699859 
1 1 1   21    4   26 o   97.864   4.4567 -3.589035 8.913365 
1 1 1   21    4   27 o   20.775   7.0772 0.6293430 14.15438 
1 1 1   21    4   28 o   76.789   5.7726 -1.430214 11.54513 
1 1 1   21    4   29 o   68.838   6.6854 6.363281 13.37073 
1 1 1   21    4   30 o   54.305   8.7042 2.575798 17.40833 
1 1 1   21    4   31 o   32.073   8.9093 -11.78100 17.81863 
1 1 1   21    4   32 x  ?   ?       ?      ? 
1 1 1   21    5    0 o  294.936   2.6519 0.000000 0.000000 
1 1 1   21    5    1 o  170.701   1.9894 -2.993729 3.978827 
1 1 1   21    5    2 o  267.674   1.8406 -3.019989 3.681177 
1 1 1   21    5    3 o  165.647   2.0884 -2.041122 4.176805 
1 1 1   21    5    4 o  575.745   3.3305 -3.041748 6.661094 
1 1 1   21    5    5 o  458.163   2.7247 6.455963 5.449344 
1 1 1   21    5    6 f  427.836   2.4069 -1.948303 4.813807 
1 1 1   21    5    7 o  209.344   1.9912 -2.962250 3.982400 
1 1 1   21    5    8 o  621.002   3.3151 5.630554 6.630247 
1 1 1   21    5    9 o  102.658   3.3505 -6.095192 6.701009 
1 1 1   21    5   10 o  287.131   2.1393 10.44122 4.278649 
1 1 1   21    5   11 o  381.769   2.2603 -3.557678 4.520635 
1 1 1   21    5   12 o  112.849   3.2638 -5.277679 6.527537 
1 1 1   21    5   13 o  121.585   3.1146 -0.5665665 6.229177 
1 1 1   21    5   14 o   92.215   4.6310 -8.707108 9.261943 
1 1 1   21    5   15 o   26.061   7.9180 -6.037777 15.83604 
1 1 1   21    5   16 o  163.786   2.4824 -8.119354 4.964808 
1 1 1   21    5   17 o  192.539   2.3592 1.108200 4.718324 
1 1 1   21    5   18 o   88.239   4.4623 -7.411346 8.924534 
1 1 1   21    5   19 o  320.802   2.1715 -3.390137 4.342953 
1 1 1   21    5   20 o  157.529   2.5938 -7.713242 5.187671 
1 1 1   21    5   21 o  248.453   2.1683 -3.565521 4.336600 
1 1 1   21    5   22 o   86.382   4.7035 6.091522 9.407046 
1 1 1   21    5   23 o  134.276   3.0516 1.848511 6.103235 
1 1 1   21    5   24 o  122.587   4.8332 2.403885 9.666326 
1 1 1   21    5   25 o   95.538   4.5833 -10.74474 9.166553 
1 1 1   21    5   26 o  105.670   4.0506 -0.6883926 8.101177 
1 1 1   21    5   27 o   59.075   7.7124 29.42014 15.42472 
1 1 1   21    5   28 o   84.329   5.2690 4.708916 10.53803 
1 1 1   21    5   29 o   24.521   7.9177 -9.179810 15.83543 
1 1 1   21    5   30 o   27.620   8.5961 0.8418236 17.19218 
1 1 1   21    5   31 o   51.485   8.7979 -13.28657 17.59583 
1 1 1   21    6    0 o   12.792   6.6333 0.000000 0.000000 
1 1 1   21    6    1 o  277.581   1.8737 3.293274 3.747340 
1 1 1   21    6    2 o  406.795   2.2919 -4.916138 4.583766 
1 1 1   21    6    3 o  126.200   3.2727 15.55976 6.545310 
1 1 1   21    6    4 o  297.614   2.6900 2.839142 5.380004 
1 1 1   21    6    5 o  150.128   2.4956 2.572968 4.991236 
1 1 1   21    6    6 o   90.138   4.0141 3.880432 8.028110 
1 1 1   21    6    7 o  427.629   2.4164 1.490082 4.832876 
1 1 1   21    6    8 o  584.093   3.1376 -9.594299 6.275127 
1 1 1   21    6    9 o  509.513   2.7953 -3.845032 5.590623 
1 1 1   21    6   10 o  182.189   2.7831 7.025543 5.566298 
1 1 1   21    6   11 o  131.107   2.9042 -12.99361 5.808341 
1 1 1   21    6   12 o  139.906   2.7498 4.034180 5.499530 
1 1 1   21    6   13 o   90.838   4.1238 0.7750244 8.247568 
1 1 1   21    6   14 o  153.406   2.6264 9.148087 5.252752 
1 1 1   21    6   15 o  274.424   2.0931 4.307983 4.186134 
1 1 1   21    6   16 o  261.373   2.0733 1.626678 4.146700 
1 1 1   21    6   17 o  164.587   2.5780 2.065750 5.155979 
1 1 1   21    6   18 o  100.886   3.9392 12.33773 7.878360 
1 1 1   21    6   19 o   72.375   5.6596 16.52177 11.31925 
1 1 1   21    6   20 o  307.366   2.1273 -8.098938 4.254522 
1 1 1   21    6   21 o  167.769   2.5861 6.698166 5.172294 
1 1 1   21    6   22 o  124.019   3.2400 -5.453751 6.480042 
1 1 1   21    6   23 o  171.371   2.4951 -1.808304 4.990136 
1 1 1   21    6   24 o   23.076   7.5314 2.022257 15.06277 
1 1 1   21    6   25 o   37.039   8.6559 18.17897 17.31181 
1 1 1   21    6   26 o   47.275   7.9311 -28.29368 15.86226 
1 1 1   21    6   27 o   42.944   9.1769 4.434868 18.35387 
1 1 1   21    6   28 o   22.314   7.4077 1.593468 14.81541 
1 1 1   21    6   29 o   38.728   9.5904 2.489853 19.18081 
1 1 1   21    6   30 f   29.125   8.6159 -10.91469 17.23173 
1 1 1   21    6   31 o   46.294   8.5157 25.78526 17.03138 
1 1 1   21    7    0 o  205.724   3.1921 0.000000 0.000000 
1 1 1   21    7    1 o  142.631   4.6349      ?      ? 
1 1 1   21    7    2 o  393.597   2.7292 4.485535 5.458447 
1 1 1   21    7    3 o  175.337   2.2756 -11.57245 4.551149 
1 1 1   21    7    4 o  259.716   1.8846 -0.8663940E-01 3.769260 
1 1 1   21    7    5 o   84.276   3.9228 -7.277596 7.845545 
1 1 1   21    7    6 o  197.337   1.9342 3.905899 3.868314 
1 1 1   21    7    7 o  257.315   1.8992 -3.907150 3.798324 
1 1 1   21    7    8 f  103.509   4.1411 -13.02812 8.282179 
1 1 1   21    7    9 x  ?   ?       ?      ? 
1 1 1   21    7   10 o  112.148   3.2336 -7.424538 6.467214 
1 1 1   21    7   11 o  322.163   2.0711 -2.107483 4.142156 
1 1 1   21    7   12 o  298.203   2.0304 -2.539917 4.060730 
1 1 1   21    7   13 o  253.156   2.6320 4.324661 5.264067 
1 1 1   21    7   14 o   90.313   4.1320 9.654694 8.264054 
1 1 1   21    7   15 o  188.892   2.2698 1.491455 4.539698 
1 1 1   21    7   16 o  232.221   2.1459 2.497955 4.291771 
1 1 1   21    7   17 o  273.797   2.0863 7.939667 4.172506 
1 1 1   21    7   18 o   33.036   8.3245 -13.57069 16.64900 
1 1 1   21    7   19 o  129.658   3.0561 -7.239799 6.112174 
1 1 1   21    7   20 o   83.145   4.5466 -7.762856 9.093237 
1 1 1   21    7   21 o   25.083   7.7212 -2.182888 15.44234 
1 1 1   21    7   22 o   44.136   8.1901 14.36242 16.38012 
1 1 1   21    7   23 o   34.444   8.7991 -9.340523 17.59818 
1 1 1   21    7   24 o  156.127   2.7742 1.273376 5.548371 
1 1 1   21    7   25 o   51.058   8.2278 -3.419655 16.45551 
1 1 1   21    7   26 o  115.564   3.7929 -8.564240 7.585758 
1 1 1   21    7   27 o   49.488   8.7226 1.279102 17.44514 
1 1 1   21    7   28 o   26.496   8.2192 -0.7607250 16.43837 
1 1 1   21    7   29 o   32.959   9.3742 2.844963 18.74832 
1 1 1   21    7   30 o   40.021   9.4857 -9.952374 18.97134 
1 1 1   21    7   31 o   60.283   7.0662 -30.30211 14.13248 
1 1 1   21    8    0 o  194.694   2.7239 0.000000 0.000000 
1 1 1   21    8    1 o  280.324   2.0458 0.5922852 4.091514 
1 1 1   21    8    2 o  436.182   2.4335 1.266785 4.866972 
1 1 1   21    8    3 o  339.689   2.0616 -0.5438232E-01 4.123277 
1 1 1   21    8    4 o  190.072   2.1384 0.8817291 4.276840 
1 1 1   21    8    5 o  104.915   3.0973 -1.594337 6.194548 
1 1 1   21    8    6 o  209.681   1.9602 3.068375 3.920458 
1 1 1   21    8    7 o  409.286   2.3437 0.6327209 4.687488 
1 1 1   21    8    8 o  175.248   2.7644 2.888779 5.528730 
1 1 1   21    8    9 o  179.591   2.4837 -7.915482 4.967371 
1 1 1   21    8   10 o  356.374   2.1790 2.139130 4.358047 
1 1 1   21    8   11 o  165.548   2.4639 1.173737 4.927785 
1 1 1   21    8   12 o  197.341   2.1325 -1.711853 4.264960 
1 1 1   21    8   13 o  153.847   2.6975 1.839401 5.395064 
1 1 1   21    8   14 o   75.641   5.0117 7.367828 10.02349 
1 1 1   21    8   15 o  106.375   3.7459 7.260437 7.491815 
1 1 1   21    8   16 o  281.716   2.0815 -2.210663 4.163096 
1 1 1   21    8   17 o  273.091   2.0894 4.978638 4.178827 
1 1 1   21    8   18 o  286.610   2.1006 -0.2156982 4.201199 
1 1 1   21    8   19 o  207.385   2.2245 2.672684 4.449055 
1 1 1   21    8   20 o   50.081   7.4049 -4.334164 14.80974 
1 1 1   21    8   21 o   43.557   7.9613 18.01324 15.92262 
1 1 1   21    8   22 o   24.588   7.7508 9.759787 15.50166 
1 1 1   21    8   23 o  210.216   2.6528 -0.9786835 5.305581 
1 1 1   21    8   24 o  117.294   3.5954 -0.7820129E-02 7.190830 
1 1 1   21    8   25 o   56.016   7.6889 -11.27520 15.37778 
1 1 1   21    8   26 o   31.629   8.3569 -12.43844 16.71389 
1 1 1   21    8   27 o   35.537   9.1262 11.74014 18.25244 
1 1 1   21    8   28 o  104.856   4.5492 6.716583 9.098489 
1 1 1   21    8   29 o  109.145   4.6820 -8.087776 9.364018 
1 1 1   21    8   30 o   73.348   6.3030 19.79016 12.60600 
1 1 1   21    8   31 o   68.191   7.1438 6.355324 14.28754 
1 1 1   21    9    0 o   39.733   11.974 0.000000 0.000000 
1 1 1   21    9    1 o  351.037   2.0807 -2.647766 4.161430 
1 1 1   21    9    2 o  556.596   2.9889 -2.053955 5.977733 
1 1 1   21    9    3 o  684.869   3.6329 -2.114685 7.265755 
1 1 1   21    9    4 o  343.147   2.0741 3.553040 4.148201 
1 1 1   21    9    5 o   52.837   6.4271 15.66188 12.85410 
1 1 1   21    9    6 o  340.995   2.5952 -1.646210 5.190478 
1 1 1   21    9    7 o  212.308   2.2859 53.05008 4.571900 
1 1 1   21    9    8 o  241.315   1.9593 -3.895569 3.918580 
1 1 1   21    9    9 o  260.680   1.9794 -1.534393 3.958792 
1 1 1   21    9   10 o  192.133   2.1284 0.3062439 4.256892 
1 1 1   21    9   11 o  105.559   3.7144 -18.08189 7.428890 
1 1 1   21    9   12 o  124.146   4.0180 -11.19846 8.035992 
1 1 1   21    9   13 f  307.443   2.1861 -0.8256226 4.372120 
1 1 1   21    9   14 o  202.424   2.2044 -1.274261 4.408835 
1 1 1   21    9   15 o  123.082   3.0420 -5.425026 6.083941 
1 1 1   21    9   16 o   27.344   8.0600 -2.155550 16.12003 
1 1 1   21    9   17 o  141.839   3.0893 7.072159 6.178522 
1 1 1   21    9   18 o  162.190   2.5497 -1.136276 5.099337 
1 1 1   21    9   19 f   64.216   6.2049 -19.42604 12.40985 
1 1 1   21    9   20 o   45.393   7.8353 3.378780 15.67070 
1 1 1   21    9   21 o   39.205   8.1842 -13.06213 16.36843 
1 1 1   21    9   22 o  165.920   2.7739 -6.498428 5.547765 
1 1 1   21    9   23 o   47.411   8.5157 -6.874908 17.03149 
1 1 1   21    9   24 o  102.209   5.0480 -14.03802 10.09605 
1 1 1   21    9   25 o   71.735   5.9706 -1.762299 11.94129 
1 1 1   21    9   26 o  126.198   4.0772 5.364212 8.154415 
1 1 1   21    9   27 o   68.233   6.2529 4.252960 12.50576 
1 1 1   21    9   28 o   89.291   5.1904 5.003151 10.38070 
1 1 1   21    9   29 o   63.842   7.8107 20.41957 15.62140 
1 1 1   21    9   30 o   48.554   7.7704 -31.08346 15.54071 
1 1 1   21   10    0 o  207.142   2.7221 0.000000 0.000000 
1 1 1   21   10    1 f  268.184   1.8848 -4.744690 3.769647 
1 1 1   21   10    2 o  146.143   2.3637 3.017685 4.727362 
1 1 1   21   10    3 o  262.412   1.9180 -3.786072 3.836037 
1 1 1   21   10    4 o  502.513   2.9732 -4.945465 5.946461 
1 1 1   21   10    5 o  314.505   2.2963 22.45697 4.592596 
1 1 1   21   10    6 o  208.731   2.8017 -30.48878 5.603349 
1 1 1   21   10    7 o  549.023   2.9773 3.977905 5.954660 
1 1 1   21   10    8 f  208.501   2.0515 -7.364517 4.102932 
1 1 1   21   10    9 o  104.372   3.4042 3.875549 6.808488 
1 1 1   21   10   10 o  227.045   1.9667 2.052689 3.933389 
1 1 1   21   10   11 o  209.578   2.7882 -1.014725 5.576465 
1 1 1   21   10   12 o  283.828   2.0150 1.670197 4.029947 
1 1 1   21   10   13 f  201.357   2.1230 -1.029663 4.245966 
1 1 1   21   10   14 o  322.415   2.3093 -1.097961 4.618677 
1 1 1   21   10   15 o  353.112   2.1910 -3.611694 4.382019 
1 1 1   21   10   16 f  181.292   2.2877 -0.5039215 4.575364 
1 1 1   21   10   17 o  200.709   2.1699 -3.882675 4.339880 
1 1 1   21   10   18 o   37.848   8.5155 8.191093 17.03102 
1 1 1   21   10   19 o  162.193   2.4843 -0.9880981 4.968576 
1 1 1   21   10   20 o  164.228   2.3995 4.127960 4.799098 
1 1 1   21   10   21 o  104.854   3.5937 3.999710 7.187414 
1 1 1   21   10   22 o   31.597   8.7318 5.208408 17.46368 
1 1 1   21   10   23 o  207.206   2.3848 -0.8947906 4.769581 
1 1 1   21   10   24 o   76.833   5.6266 -7.315353 11.25318 
1 1 1   21   10   25 o  134.683   3.3828 -11.72659 6.765596 
1 1 1   21   10   26 o  111.594   4.4170 3.581970 8.834063 
1 1 1   21   10   27 o  144.637   3.1251 -3.096176 6.250247 
1 1 1   21   10   28 o   75.800   5.9300 29.08655 11.86004 
1 1 1   21   10   29 o   46.404   9.0964 8.950031 18.19278 
1 1 1   21   10   30 f   27.190   8.0961 10.00257 16.19222 
1 1 1   21   11    0 o  174.571   2.9950 0.000000 0.000000 
1 1 1   21   11    1 o  367.583   2.3530 -0.2897949 4.706093 
1 1 1   21   11    2 o  252.202   1.9051 2.168686 3.810213 
1 1 1   21   11    3 o  287.530   2.4620 5.332458 4.923965 
1 1 1   21   11    4 o   66.652   4.9717 9.076649 9.943421 
1 1 1   21   11    5 o  381.265   2.2196 0.6721802 4.439246 
1 1 1   21   11    6 o  304.336   1.9750 -2.955566 3.950082 
1 1 1   21   11    7 o  362.247   2.1618 2.870789 4.323650 
1 1 1   21   11    8 o  238.362   1.9565 0.1885834 3.913045 
1 1 1   21   11    9 o  228.367   2.0225 1.481293 4.044999 
1 1 1   21   11   10 o  258.026   1.9826 2.069458 3.965269 
1 1 1   21   11   11 o  274.706   2.1446 0.7138977 4.289145 
1 1 1   21   11   12 o  227.806   2.0432 9.820999 4.086435 
1 1 1   21   11   13 o  336.833   2.1411 5.419312 4.282225 
1 1 1   21   11   14 o  157.289   2.4476 -0.1678467E-03 4.895230 
1 1 1   21   11   15 f  133.325   2.8573 -4.953659 5.714679 
1 1 1   21   11   16 o  161.272   2.4850 2.322845 4.969972 
1 1 1   21   11   17 o  189.495   2.1877 2.014923 4.375387 
1 1 1   21   11   18 o  133.296   2.9611 -2.306824 5.922201 
1 1 1   21   11   19 o  129.168   2.9571 3.290359 5.914134 
1 1 1   21   11   20 o  145.619   2.6472 1.383499 5.294349 
1 1 1   21   11   21 o  173.904   2.6274 0.2233887 5.254769 
1 1 1   21   11   22 o   26.623   8.1841 0.9906292 16.36826 
1 1 1   21   11   23 o  157.204   2.8254 10.27295 5.650734 
1 1 1   21   11   24 o   25.541   7.9872 7.780458 15.97443 
1 1 1   21   11   25 o  111.314   4.3202 -10.66330 8.640486 
1 1 1   21   11   26 o   62.505   6.9768 -12.44396 13.95361 
1 1 1   21   11   27 o   85.716   5.1046 -14.87762 10.20928 
1 1 1   21   11   28 o   29.251   8.9901 3.027655 17.98012 
1 1 1   21   11   29 o  114.989   3.8413 -7.203201 7.682509 
1 1 1   21   11   30 o   39.970   8.9157 -28.54561 17.83145 
1 1 1   21   12    0 o   28.918   11.140 0.000000 0.000000 
1 1 1   21   12    1 o  143.805   2.5591 4.922821 5.118229 
1 1 1   21   12    2 o   92.341   3.5733 -2.778046 7.146558 
1 1 1   21   12    3 o  354.533   2.1328 1.047180 4.265553 
1 1 1   21   12    4 o  340.273   2.0829 1.714081 4.165774 
1 1 1   21   12    5 o   97.904   3.3398 -7.268272 6.679562 
1 1 1   21   12    6 o  225.246   1.9445 0.1210175 3.888945 
1 1 1   21   12    7 f  330.189   2.0612 -3.447723 4.122324 
1 1 1   21   12    8 o   20.955   6.8303 4.558578 13.66069 
1 1 1   21   12    9 o   92.190   3.7442 -6.811531 7.488417 
1 1 1   21   12   10 o  239.543   2.0005 1.177795 4.000933 
1 1 1   21   12   11 o   73.194   4.6994 2.968262 9.398789 
1 1 1   21   12   12 o  219.206   2.0370 0.6681976 4.073956 
1 1 1   21   12   13 o  103.374   3.7245 13.74234 7.448967 
1 1 1   21   12   14 o  209.422   2.0938 2.465668 4.187640 
1 1 1   21   12   15 o  239.689   2.0185 -2.794266 4.037002 
1 1 1   21   12   16 o  255.226   2.0186 1.355408 4.037295 
1 1 1   21   12   17 o  260.351   2.0038 -1.996033 4.007620 
1 1 1   21   12   18 o   74.190   5.3646 -18.09224 10.72926 
1 1 1   21   12   19 o   87.340   4.0798 -6.329170 8.159557 
1 1 1   21   12   20 o  187.835   2.6287 -0.3684387 5.257436 
1 1 1   21   12   21 o   73.719   8.3651 65.18652 16.73026 
1 1 1   21   12   22 o  102.804   4.0307 0.7187653E-01 8.061330 
1 1 1   21   12   23 o  129.650   3.3128 -2.382248 6.625560 
1 1 1   21   12   24 o  177.344   2.5520 -8.854324 5.104000 
1 1 1   21   12   25 o   92.171   4.5305 4.747635 9.060916 
1 1 1   21   12   26 o   32.891   8.6658 -8.892361 17.33159 
1 1 1   21   12   27 o   44.214   9.0411 -2.317310 18.08216 
1 1 1   21   12   28 o  120.818   3.7536 7.115532 7.507242 
1 1 1   21   12   29 o  112.684   3.9097 12.92475 7.819304 
1 1 1   21   13    0 o  107.869   4.4751 0.000000 0.000000 
1 1 1   21   13    1 o  159.164   2.4781 -3.506180 4.956149 
1 1 1   21   13    2 o  388.641   2.4464 -3.681061 4.892880 
1 1 1   21   13    3 o  317.770   2.0155 -3.415619 4.030987 
1 1 1   21   13    4 o  170.698   2.1435 -1.386551 4.286934 
1 1 1   21   13    5 o  409.347   2.3284 -0.1638794E-01 4.656820 
1 1 1   21   13    6 o  164.010   2.2223 2.663422 4.444582 
1 1 1   21   13    7 o   85.182   4.4421 0.1280136 8.884215 
1 1 1   21   13    8 o  330.290   2.0876 2.601013 4.175159 
1 1 1   21   13    9 o  143.302   2.4567 0.4392853 4.913453 
1 1 1   21   13   10 o  171.383   2.2618 3.381729 4.523696 
1 1 1   21   13   11 o   73.454   4.7281 -6.385193 9.456201 
1 1 1   21   13   12 o   27.781   7.9129 -0.8681107 15.82573 
1 1 1   21   13   13 o   98.906   3.5083 4.395134 7.016692 
1 1 1   21   13   14 o  131.493   2.7645 2.419495 5.528926 
1 1 1   21   13   15 o  217.164   2.0655 -3.208038 4.131033 
1 1 1   21   13   16 o   95.772   3.6117 3.695580 7.223362 
1 1 1   21   13   17 o   70.020   5.2045 -12.19791 10.40910 
1 1 1   21   13   18 f   31.697   8.4130 10.58395 16.82605 
1 1 1   21   13   19 o   42.588   7.8499 0.1566696E-01 15.69987 
1 1 1   21   13   20 o  167.645   2.6236 2.556778 5.247180 
1 1 1   21   13   21 o   68.783   5.5816 17.03428 11.16312 
1 1 1   21   13   22 o  217.917   2.2602 0.1065063E-01 4.520444 
1 1 1   21   13   23 o  167.596   2.5830 3.684280 5.165951 
1 1 1   21   13   24 o  116.866   3.5511 -0.3056259 7.102255 
1 1 1   21   13   25 f   36.797   8.7628 -8.050934 17.52564 
1 1 1   21   13   26 o   44.425   8.8970 -2.341846 17.79405 
1 1 1   21   13   27 o   43.734   8.8323 22.42472 17.66463 
1 1 1   21   13   28 o   35.298   8.7980 23.10871 17.59595 
1 1 1   21   13   29 o   24.930   8.0061 8.713213 16.01210 
1 1 1   21   14    0 o  400.203   3.2410 0.000000 0.000000 
1 1 1   21   14    1 o  119.424   2.7797 -6.315697 5.559460 
1 1 1   21   14    2 o   39.968   7.7825 8.072365 15.56503 
1 1 1   21   14    3 o  320.618   2.0279 -3.496887 4.055732 
1 1 1   21   14    4 o  359.908   2.1560 2.203156 4.312028 
1 1 1   21   14    5 o  259.868   1.9331 -1.913086 3.866290 
1 1 1   21   14    6 o  352.640   2.1276 -3.562531 4.255185 
1 1 1   21   14    7 o   92.569   3.6593 -7.248230 7.318549 
1 1 1   21   14    8 o  128.390   2.7419 2.870583 5.483898 
1 1 1   21   14    9 o  165.335   2.2532 4.655701 4.506447 
1 1 1   21   14   10 o  229.205   1.9712 7.124741 3.942371 
1 1 1   21   14   11 o  207.190   2.0246 -3.946243 4.049203 
1 1 1   21   14   12 o  318.331   2.0569 3.136841 4.113801 
1 1 1   21   14   13 o   71.958   4.5779 2.705383 9.155763 
1 1 1   21   14   14 o  162.541   2.2878 0.1270752 4.575681 
1 1 1   21   14   15 o  306.757   2.0563 -1.255463 4.112683 
1 1 1   21   14   16 o  140.417   2.4904 2.402176 4.980877 
1 1 1   21   14   17 o  167.261   2.2443 -2.300659 4.488499 
1 1 1   21   14   18 o  121.878   2.9977 8.419472 5.995478 
1 1 1   21   14   19 o  111.034   3.6358 6.514778 7.271543 
1 1 1   21   14   20 o   43.968   7.2682 41.94942 14.53641 
1 1 1   21   14   21 o  147.993   2.8164 1.923996 5.632765 
1 1 1   21   14   22 o  244.642   2.2141 0.1900482 4.428102 
1 1 1   21   14   23 o   97.653   4.0550 -7.646431 8.110004 
1 1 1   21   14   24 o   21.908   7.2717 4.212584 14.54336 
1 1 1   21   14   25 o   85.153   5.2202 8.512268 10.44031 
1 1 1   21   14   26 o   83.939   5.2418 -2.242432 10.48365 
1 1 1   21   14   27 o   82.383   5.3298 11.34747 10.65961 
1 1 1   21   14   28 f   26.543   8.1985 11.27046 16.39701 
1 1 1   21   15    0 o  279.767   3.4393 0.000000 0.000000 
1 1 1   21   15    1 o  195.542   2.0324 -3.909073 4.064827 
1 1 1   21   15    2 o  300.550   1.9777 4.230072 3.955416 
1 1 1   21   15    3 o  189.523   2.0532 1.976456 4.106362 
1 1 1   21   15    4 o  243.997   1.9464 2.538712 3.892747 
1 1 1   21   15    5 o   52.538   6.4462 -8.614670 12.89233 
1 1 1   21   15    6 o  122.370   2.8220 1.359154 5.643999 
1 1 1   21   15    7 o  308.587   2.0273 -1.157257 4.054658 
1 1 1   21   15    8 o  110.408   2.9897 2.444511 5.979451 
1 1 1   21   15    9 o  247.574   1.9378 0.6044159 3.875627 
1 1 1   21   15   10 o  146.435   2.3699 -1.121887 4.739797 
1 1 1   21   15   11 f  101.634   3.2520 6.647408 6.503915 
1 1 1   21   15   12 o  195.070   2.0393 -1.052643 4.078675 
1 1 1   21   15   13 o   24.264   7.2275 -7.166105 14.45506 
1 1 1   21   15   14 o  238.413   1.9253 -1.808243 3.850679 
1 1 1   21   15   15 o   16.847   5.8178 -1.324394 11.63564 
1 1 1   21   15   16 o  146.555   3.2025 -9.747070 6.405075 
1 1 1   21   15   17 o  187.646   2.0840 -5.451706 4.167903 
1 1 1   21   15   18 o   66.429   5.6566 -4.654213 11.31312 
1 1 1   21   15   19 o  116.747   4.3370 97.16377 8.673985 
1 1 1   21   15   20 o  122.907   3.3028 2.616066 6.605603 
1 1 1   21   15   21 o  203.388   2.2996 -5.559021 4.599190 
1 1 1   21   15   22 o   47.638   8.7901 10.13054 17.58026 
1 1 1   21   15   23 o   86.668   4.8947 -16.61217 9.789348 
1 1 1   21   15   24 o  130.567   3.3320 -0.9527130 6.664029 
1 1 1   21   15   25 o   35.711   8.8072 -12.40927 17.61431 
1 1 1   21   15   26 o   81.767   5.2838 10.69685 10.56754 
1 1 1   21   15   27 o   83.765   5.2230 -10.34075 10.44598 
1 1 1   21   15   28 o   39.654   8.2150 -12.73351 16.43009 
1 1 1   21   16    0 o   20.415   9.4081 0.000000 0.000000 
1 1 1   21   16    1 o   74.439   4.3954 -2.000870 8.790830 
1 1 1   21   16    2 o  259.669   1.9511 -1.510132 3.902291 
1 1 1   21   16    3 o  108.653   3.2850 7.821167 6.570084 
1 1 1   21   16    4 o   52.774   6.5132 11.84199 13.02638 
1 1 1   21   16    5 o  157.745   2.2267 -2.477432 4.453312 
1 1 1   21   16    6 o  134.600   2.5366 -5.215591 5.073165 
1 1 1   21   16    7 o   54.039   6.2167 10.83682 12.43339 
1 1 1   21   16    8 o  207.959   1.9764 1.871414 3.952862 
1 1 1   21   16    9 o  399.249   2.3211 0.1973572 4.642172 
1 1 1   21   16   10 o   87.133   3.7435 -12.47510 7.486919 
1 1 1   21   16   11 o  223.797   1.9274 7.602737 3.854827 
1 1 1   21   16   12 o   74.244   4.1923 -6.838486 8.384624 
1 1 1   21   16   13 o  228.462   1.9466 1.313980 3.893187 
1 1 1   21   16   14 o  139.557   2.3992 -1.194672 4.798483 
1 1 1   21   16   15 o   30.719   7.5727 16.02100 15.14532 
1 1 1   21   16   16 o  157.862   2.3042 -0.7029419 4.608445 
1 1 1   21   16   17 o   56.910   5.5442 -5.035629 11.08845 
1 1 1   21   16   18 o  110.052   3.3470 8.568993 6.693947 
1 1 1   21   16   19 o   78.641   4.7702 0.3960037 9.540459 
1 1 1   21   16   20 o   29.319   8.0836 16.54474 16.16728 
1 1 1   21   16   21 o  103.647   3.8853 -7.153915 7.770606 
1 1 1   21   16   22 f   61.655   6.5264 22.81202 13.05276 
1 1 1   21   16   23 o  177.926   2.6099 -3.826080 5.219760 
1 1 1   21   16   24 o   55.172   7.8196 -17.45126 15.63917 
1 1 1   21   16   25 o   84.070   5.2126 -17.32726 10.42510 
1 1 1   21   16   26 o   22.611   7.5077 -0.3344574 15.01535 
1 1 1   21   16   27 o   41.831   7.5943 -25.63161 15.18863 
1 1 1   21   17    0 o  137.254   4.1684 0.000000 0.000000 
1 1 1   21   17    1 o  308.221   2.0180 3.597626 4.035997 
1 1 1   21   17    2 o  149.028   2.3410 4.273361 4.682049 
1 1 1   21   17    3 o  113.660   3.2586 -4.244850 6.517203 
1 1 1   21   17    4 o  304.604   1.9984 4.444855 3.996886 
1 1 1   21   17    5 o   59.716   5.4619 -9.715054 10.92389 
1 1 1   21   17    6 o   84.234   3.8469 3.413155 7.693756 
1 1 1   21   17    7 o  111.910   2.9694 -9.007744 5.938860 
1 1 1   21   17    8 o  219.991   1.8950 1.144577 3.790044 
1 1 1   21   17    9 o  174.559   2.0811 -0.1769409 4.162158 
1 1 1   21   17   10 o  126.937   2.5513 3.865974 5.102559 
1 1 1   21   17   11 o  100.537   3.1924 -5.014565 6.384854 
1 1 1   21   17   12 o   67.871   4.4051 8.834686 8.810286 
1 1 1   21   17   13 o   78.517   3.9243 12.61334 7.848570 
1 1 1   21   17   14 f  113.916   2.7357 -3.785843 5.471302 
1 1 1   21   17   15 o  154.331   2.1624 6.048141 4.324809 
1 1 1   21   17   16 o   53.465   5.8205 -5.344334 11.64100 
1 1 1   21   17   17 o  181.219   2.4720 6.124054 4.944029 
1 1 1   21   17   18 o  127.417   2.9376 0.4132690 5.875145 
1 1 1   21   17   19 o  107.269   3.5237 -6.127892 7.047487 
1 1 1   21   17   20 f   88.119   4.5381 -19.20618 9.076173 
1 1 1   21   17   21 o   79.215   4.8271 -1.503487 9.654229 
1 1 1   21   17   22 o  117.317   3.4594 -1.407379 6.918709 
1 1 1   21   17   23 o   50.493   8.1458 0.5418663 16.29163 
1 1 1   21   17   24 o  181.124   2.6640 -3.799622 5.328037 
1 1 1   21   17   25 o   94.010   4.7315 -3.360527 9.462978 
1 1 1   21   17   26 o   45.743   8.7370 5.896473 17.47399 
1 1 1   21   17   27 o   21.453   7.1561 -3.139814 14.31227 
1 1 1   21   18    0 o  311.248   2.8402 0.000000 0.000000 
1 1 1   21   18    1 o  158.858   2.3966 2.523880 4.793243 
1 1 1   21   18    2 f  198.973   1.9900 -5.690506 3.980021 
1 1 1   21   18    3 o   25.145   7.6724 -0.7967319 15.34482 
1 1 1   21   18    4 o  126.477   2.7175 -1.993301 5.435016 
1 1 1   21   18    5 o  114.266   2.9049 0.3450317 5.809719 
1 1 1   21   18    6 f  177.080   2.0390 -5.503845 4.078086 
1 1 1   21   18    7 o   96.732   3.2948 5.192917 6.589519 
1 1 1   21   18    8 o  146.218   2.2650 1.960617 4.530056 
1 1 1   21   18    9 o  143.463   2.3375 -0.3433990 4.674905 
1 1 1   21   18   10 o   71.998   4.4588 31.12409 8.917566 
1 1 1   21   18   11 o  152.406   2.2089 -0.8543854 4.417708 
1 1 1   21   18   12 o   36.860   6.3234 -27.74836 12.64676 
1 1 1   21   18   13 f  116.258   2.6588 -0.3905106 5.317677 
1 1 1   21   18   14 f  134.545   2.3584 -1.345398 4.716809 
1 1 1   21   18   15 o  104.284   2.9070 -8.777229 5.813943 
1 1 1   21   18   16 o  205.150   2.2636 -4.807022 4.527144 
1 1 1   21   18   17 o   51.049   7.1262 0.7723351 14.25242 
1 1 1   21   18   18 o  108.250   3.3772 3.756630 6.754403 
1 1 1   21   18   19 o  181.104   2.3464 -9.582413 4.692772 
1 1 1   21   18   20 o   57.358   7.4600 -24.33408 14.91994 
1 1 1   21   18   21 o   33.363   7.9036 -14.58092 15.80713 
1 1 1   21   18   22 f  113.290   3.5910 0.1653976 7.181966 
1 1 1   21   18   23 f  124.480   3.4341 -9.437447 6.868226 
1 1 1   21   18   24 o   83.219   4.8911 -0.2460022 9.782249 
1 1 1   21   18   25 o   86.930   4.7030 -1.278519 9.406052 
1 1 1   21   18   26 o   65.631   7.3784 -6.085266 14.75676 
1 1 1   21   19    0 o  345.481   2.9587 0.000000 0.000000 
1 1 1   21   19    1 o   99.510   3.4769 -6.787163 6.953739 
1 1 1   21   19    2 o  252.233   1.9051 1.996704 3.810101 
1 1 1   21   19    3 o  249.468   1.9068 5.526108 3.813660 
1 1 1   21   19    4 o  204.852   1.9373 3.594131 3.874545 
1 1 1   21   19    5 o  170.791   2.1136 1.165924 4.227268 
1 1 1   21   19    6 o   27.950   6.9915 -21.37508 13.98302 
1 1 1   21   19    7 o  158.239   2.1636 -3.358597 4.327138 
1 1 1   21   19    8 o  167.788   2.0501 -0.1188965 4.100115 
1 1 1   21   19    9 o   91.853   3.3002 -3.527863 6.600375 
1 1 1   21   19   10 o  294.776   1.9638 -1.668060 3.927627 
1 1 1   21   19   11 f   44.856   6.5325 12.68028 13.06494 
1 1 1   21   19   12 o   20.572   6.3728 -8.920513 12.74558 
1 1 1   21   19   13 o  110.809   2.7848 -10.24659 5.569524 
1 1 1   21   19   14 o  161.218   2.2207 -11.00459 4.441442 
1 1 1   21   19   15 o  162.673   3.1323 78.22934 6.264687 
1 1 1   21   19   16 o  109.890   3.2811 4.051498 6.562147 
1 1 1   21   19   17 o  213.840   2.1867 -5.769226 4.373331 
1 1 1   21   19   18 f  110.007   3.4531 -3.870827 6.906114 
1 1 1   21   19   19 o   35.092   8.1624 -4.419197 16.32482 
1 1 1   21   19   20 o   26.138   7.6715 -3.984301 15.34295 
1 1 1   21   19   21 o   51.770   7.3742 -9.566128 14.74832 
1 1 1   21   19   22 o   49.749   7.8742 -0.8968964 15.74840 
1 1 1   21   19   23 o  116.680   3.4610 -10.71275 6.921994 
1 1 1   21   19   24 o   67.144   5.8183 2.469757 11.63665 
1 1 1   21   19   25 o   26.562   7.7853 -4.216265 15.57055 
1 1 1   21   20    0 o   50.054   9.4406 0.000000 0.000000 
1 1 1   21   20    1 o  224.947   1.8952 -0.9800415 3.790482 
1 1 1   21   20    2 o   34.525   7.8640 -6.677670 15.72810 
1 1 1   21   20    3 o  246.798   1.8914 -3.202484 3.782790 
1 1 1   21   20    4 f   26.779   7.6058 1.826464 15.21167 
1 1 1   21   20    5 o   69.747   4.4621 -8.512238 8.924203 
1 1 1   21   20    6 o   37.440   7.0887 -19.29577 14.17732 
1 1 1   21   20    7 o   16.289   5.6269 -1.767176 11.25389 
1 1 1   21   20    8 o  154.205   2.3748 -1.989731 4.749608 
1 1 1   21   20    9 o   61.432   4.8320 -1.122444 9.663999 
1 1 1   21   20   10 o  111.955   2.7209 2.770767 5.441895 
1 1 1   21   20   11 o   46.198   6.5433 -20.33493 13.08669 
1 1 1   21   20   12 o  150.077   2.1593 -5.199509 4.318563 
1 1 1   21   20   13 o  228.930   1.8925 5.265472 3.785054 
1 1 1   21   20   14 o   45.952   7.5554 -6.286999 15.11085 
1 1 1   21   20   15 o  105.829   3.3499 -6.388939 6.699810 
1 1 1   21   20   16 o  150.950   2.5031 -1.234299 5.006240 
1 1 1   21   20   17 o  137.172   2.8068 2.769699 5.613699 
1 1 1   21   20   18 o  107.576   3.3680 11.51601 6.736083 
1 1 1   21   20   19 o   57.511   6.3408 34.58131 12.68161 
1 1 1   21   20   20 o  113.759   3.3382 4.258705 6.676499 
1 1 1   21   20   21 f   26.402   7.9435 13.92661 15.88704 
1 1 1   21   20   22 o  124.425   3.1579 2.920341 6.315866 
1 1 1   21   20   23 o   68.454   5.6526 4.149765 11.30516 
1 1 1   21   20   24 f   32.270   8.3433 -1.366409 16.68668 
1 1 1   21   21    0 o   94.486   4.8157 0.000000 0.000000 
1 1 1   21   21    1 o  177.373   2.0550 5.251846 4.110048 
1 1 1   21   21    2 f  168.960   2.1122 -3.029358 4.224343 
1 1 1   21   21    3 o   52.083   6.1179 3.111935 12.23586 
1 1 1   21   21    4 o   89.592   3.4922 -0.8652267 6.984376 
1 1 1   21   21    5 o   97.638   3.2007 5.610733 6.401417 
1 1 1   21   21    6 f   93.751   3.3050 -8.508530 6.609962 
1 1 1   21   21    7 o  116.561   2.6997 4.888702 5.399497 
1 1 1   21   21    8 o  115.778   2.6565 -8.576874 5.312976 
1 1 1   21   21    9 o  111.929   2.7839 -8.529816 5.567760 
1 1 1   21   21   10 o  114.539   2.6762 -1.001266 5.352445 
1 1 1   21   21   11 o   88.298   3.3861 3.513084 6.772152 
1 1 1   21   21   12 o  111.195   3.1625 11.58127 6.324924 
1 1 1   21   21   13 o   76.677   5.5468 9.737701 11.09358 
1 1 1   21   21   14 o   75.118   5.6913 -6.227509 11.38255 
1 1 1   21   21   15 o   60.482   6.8433 0.8980560E-01 13.68658 
1 1 1   21   21   16 o   28.850   7.0487 -10.94247 14.09741 
1 1 1   21   21   17 o   34.226   8.1610 11.89400 16.32206 
1 1 1   21   21   18 o   43.539   7.7058 23.37079 15.41153 
1 1 1   21   21   19 o   24.361   7.5059 4.688372 15.01183 
1 1 1   21   21   20 o   68.344   5.2607 11.07190 10.52138 
1 1 1   21   21   21 o   52.554   8.0020 2.796898 16.00399 
1 1 1   21   21   22 o   40.307   8.4318 -2.292484 16.86357 
1 1 1   21   21   23 o   53.950   7.4287 5.865372 14.85738 
1 1 1   21   21   24 o   28.681   7.1656 -17.08105 14.33112 
1 1 1   21   22    0 o  179.935   2.8686 0.000000 0.000000 
1 1 1   21   22    1 o  167.710   2.1255 10.55270 4.250952 
1 1 1   21   22    2 o   83.139   3.8289 -6.542183 7.657706 
1 1 1   21   22    3 o  121.575   2.7139 7.161377 5.427747 
1 1 1   21   22    4 o   51.944   6.0484 8.525108 12.09689 
1 1 1   21   22    5 o  261.125   1.9047 1.229095 3.809450 
1 1 1   21   22    6 o   54.074   5.6004 -3.569317 11.20073 
1 1 1   21   22    7 o   34.579   6.9066 21.24555 13.81320 
1 1 1   21   22    8 o  177.220   2.0852 -4.469513 4.170396 
1 1 1   21   22    9 o   54.970   6.8553 -0.2058792 13.71062 
1 1 1   21   22   10 o   78.432   5.4760 -6.205826 10.95201 
1 1 1   21   22   11 o   98.208   4.2670 2.365936 8.534098 
1 1 1   21   22   12 o   63.521   6.5328 -3.247364 13.06565 
1 1 1   21   22   13 f   92.946   4.3854 -2.829437 8.770771 
1 1 1   21   22   14 o   25.567   8.0575 -4.287548 16.11490 
1 1 1   21   22   15 o   78.843   6.4914 -8.108719 12.98287 
1 1 1   21   22   16 o   69.535   6.0055 10.66245 12.01101 
1 1 1   21   22   17 f   98.724   4.3997 4.255608 8.799326 
1 1 1   21   22   18 o   48.339   8.6886 -9.430614 17.37716 
1 1 1   21   22   19 o  104.391   4.3674 -3.048820 8.734755 
1 1 1   21   22   20 o   43.788   7.7973 4.902081 15.59458 
1 1 1   21   22   21 o   44.561   9.4835 18.29166 18.96708 
1 1 1   21   22   22 o   51.996   7.6499 -4.383942 15.29985 
1 1 1   21   22   23 o   19.451   6.7052 4.664700 13.41041 
1 1 1   21   23    0 o   41.746   11.244 0.000000 0.000000 
1 1 1   21   23    1 o  126.812   2.6175 3.475899 5.234955 
1 1 1   21   23    2 o   40.372   6.9727 22.77405 13.94543 
1 1 1   21   23    3 o  153.539   2.3006 6.209259 4.601298 
1 1 1   21   23    4 o  155.688   2.2480 1.657028 4.495970 
1 1 1   21   23    5 o  122.834   2.6583 -3.920593 5.316622 
1 1 1   21   23    6 o  159.899   2.7743 2.126648 5.548581 
1 1 1   21   23    7 o  104.385   3.4553 14.49748 6.910614 
1 1 1   21   23    8 o   21.801   6.8311 -1.881884 13.66226 
1 1 1   21   23    9 o  149.209   2.9884 5.903152 5.976757 
1 1 1   21   23   10 o   61.627   6.8769 -10.23539 13.75372 
1 1 1   21   23   11 o   92.454   4.4806 -5.723579 8.961297 
1 1 1   21   23   12 o   24.770   7.8316 6.201830 15.66317 
1 1 1   21   23   13 o   30.936   8.6915 -2.412428 17.38309 
1 1 1   21   23   14 o   40.895   8.7383 14.53046 17.47658 
1 1 1   21   23   15 o   22.017   7.3267 -3.193541 14.65346 
1 1 1   21   23   16 o  115.654   3.7697 4.659554 7.539461 
1 1 1   21   23   17 o   48.278   8.7307 -11.83329 17.46150 
1 1 1   21   23   18 o   86.462   5.1913 3.716881 10.38251 
1 1 1   21   23   19 o  101.601   5.6706 3.061096 11.34121 
1 1 1   21   23   20 o   43.965   8.9643 -21.84991 17.92860 
1 1 1   21   23   21 o   37.341   9.2641 -7.582996 18.52822 
1 1 1   21   23   22 x  ?   ?       ?      ? 
1 1 1   21   24    0 o   96.630   5.9857 0.000000 0.000000 
1 1 1   21   24    1 o   71.304   4.9769 -6.304840 9.953705 
1 1 1   21   24    2 o  132.604   2.9129 0.9574585 5.825831 
1 1 1   21   24    3 o  199.951   2.0197 0.3106232 4.039315 
1 1 1   21   24    4 o  170.585   2.1139 -0.7146912 4.227893 
1 1 1   21   24    5 o   36.457   7.3990 15.16298 14.79802 
1 1 1   21   24    6 o   80.494   3.8438 4.730682 7.687638 
1 1 1   21   24    7 o   39.860   7.1799 10.26798 14.35982 
1 1 1   21   24    8 o   41.447   8.6364 14.80843 17.27287 
1 1 1   21   24    9 o   91.036   4.5497 1.068756 9.099454 
1 1 1   21   24   10 o  108.540   3.8015 -11.72965 7.603067 
1 1 1   21   24   11 f   30.298   8.6196 8.515636 17.23923 
1 1 1   21   24   12 o   47.364   8.3772 -17.12130 16.75450 
1 1 1   21   24   13 o  120.206   3.5484 -10.08418 7.096709 
1 1 1   21   24   14 o  106.665   4.0282 6.441109 8.056337 
1 1 1   21   24   15 o   47.696   8.6574 -17.65670 17.31482 
1 1 1   21   24   16 o   83.514   5.2954 0.3513412 10.59088 
1 1 1   21   24   17 o   55.883   9.4960 -15.50196 18.99198 
1 1 1   21   24   18 o  107.209   4.4161 -9.989723 8.832286 
1 1 1   21   24   19 o   24.621   7.9822 -3.957359 15.96434 
1 1 1   21   24   20 o   57.685   7.9973 -3.690750 15.99461 
1 1 1   21   25    0 o   43.887   10.310 0.000000 0.000000 
1 1 1   21   25    1 o   54.026   5.9072 -14.73484 11.81435 
1 1 1   21   25    2 f   54.646   5.8282 -6.046131 11.65632 
1 1 1   21   25    3 o  164.737   2.1737 -4.484863 4.347475 
1 1 1   21   25    4 o   67.366   4.6102 3.853355 9.220347 
1 1 1   21   25    5 o   19.518   6.4218 -6.440914 12.84363 
1 1 1   21   25    6 o   65.984   4.8751 18.12292 9.750150 
1 1 1   21   25    7 o   99.618   4.4137 21.09712 8.827302 
1 1 1   21   25    8 o  116.902   3.6372 7.064568 7.274302 
1 1 1   21   25    9 o   89.958   4.6539 2.905014 9.307760 
1 1 1   21   25   10 o   60.583   7.4950 -26.83830 14.99007 
1 1 1   21   25   11 o   46.066   8.4713 9.726513 16.94257 
1 1 1   21   25   12 o   37.517   9.1417 2.639992 18.28344 
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1 1 1   21   26    5 o   75.688   4.1038 1.848358 8.207616 
1 1 1   21   26    6 o   54.388   6.0142 8.887737 12.02838 
1 1 1   21   26    7 o   46.576   8.5983 5.347404 17.19651 
1 1 1   21   26    8 o   31.042   8.6587 2.803347 17.31731 
1 1 1   21   26    9 o   36.145   8.8949 12.14659 17.78972 
1 1 1   21   26   10 o   22.572   7.4161 -0.5877171 14.83222 
1 1 1   21   26   11 o   39.947   8.9815 6.873104 17.96292 
1 1 1   21   26   12 o  109.576   4.0634 16.62456 8.126896 
1 1 1   21   26   13 o   33.388   9.2348 -9.313070 18.46968 
1 1 1   21   26   14 o   76.668   5.7940 -1.390724 11.58805 
1 1 1   21   26   15 o   31.241   8.9947 -2.348730 17.98940 
1 1 1   21   26   16 o   44.500   9.3311 -1.132999 18.66222 
1 1 1   21   26   17 o   73.856   6.3864 -17.07924 12.77285 
1 1 1   21   26   18 o   22.501   7.6121 3.840801 15.22421 
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1 1 1   21   27    2 o   35.356   8.3088 8.681547 16.61758 
1 1 1   21   27    3 o   49.383   6.9238 13.48310 13.84766 
1 1 1   21   27    4 o   96.435   3.4074 7.522957 6.814838 
1 1 1   21   27    5 o   42.470   7.3664 -5.720886 14.73283 
1 1 1   21   27    6 o   97.091   3.3010 3.015251 6.602000 
1 1 1   21   27    7 o  104.854   4.0225 -9.139496 8.044902 
1 1 1   21   27    8 o   28.568   8.4550 2.999329 16.90995 
1 1 1   21   27    9 o   41.390   9.2004 1.292206 18.40079 
1 1 1   21   27   10 o   36.883   9.0946 -5.387489 18.18926 
1 1 1   21   27   11 o   81.307   6.7579 -12.88509 13.51579 
1 1 1   21   27   12 o   33.527   9.1013 9.120579 18.20252 
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1 1 1   21   27   15 o   37.503   9.1440 12.62241 18.28791 
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1 1 1   21   28    2 o   89.038   3.9590 5.090034 7.918059 
1 1 1   21   28    3 o   80.837   4.6555 -3.096809 9.310906 
1 1 1   21   28    4 o   86.375   3.9206 -23.53326 7.841126 
1 1 1   21   28    5 o  100.064   3.2970 3.582428 6.593974 
1 1 1   21   28    6 o   83.152   5.2225 14.84663 10.44492 
1 1 1   21   28    7 o   69.316   6.0644 -6.492851 12.12870 
1 1 1   21   28    8 o   66.224   6.3624 5.979710 12.72481 
1 1 1   21   28    9 o   52.555   8.3087 -37.10682 16.61735 
1 1 1   21   28   10 o   56.183   7.9448 13.12290 15.88964 
1 1 1   21   28   11 o   75.115   5.9734 14.62353 11.94685 
1 1 1   21   28   12 o   41.194   9.4413 7.721954 18.88263 
1 1 1   21   28   13 o   24.118   7.7183 9.996580 15.43651 
1 1 1   21   28   14 o   35.411   9.1802 8.237883 18.36048 
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1 1 1   21   29    3 o   64.500   5.9913 -7.478611 11.98258 
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1 1 1   21   29    5 o   92.665   3.6958 7.523842 7.391628 
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1 1 1   21   29    7 o   38.248   9.4441 4.412140 18.88822 
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1 1 1   21   29   11 o   60.450   7.3578 -10.86922 14.71565 
1 1 1   21   29   12 o   46.580   9.3468 -10.07842 18.69358 
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1 1 1   21   30    1 o   65.551   5.5412 7.482521 11.08248 
1 1 1   21   30    2 o   55.798   6.9671 21.69020 13.93421 
1 1 1   21   30    3 o   34.383   8.3178 11.80208 16.63555 
1 1 1   21   30    4 o   62.609   6.7210 13.59026 13.44191 
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1 1 1   21   30    8 o   28.221   8.9061 4.231405 17.81222 
1 1 1   21   30    9 o   23.338   10.848      ?      ? 
1 1 1   21   31    0 o   61.411   8.6298 0.000000 0.000000 
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1 1 1   21   31    2 o   29.094   8.2804 8.565769 16.56079 
1 1 1   21   31    3 o   77.572   4.8716 -30.29386 9.743201 
1 1 1   21   31    4 o   31.321   8.0569 9.115919 16.11370 
1 1 1   21   31    5 x  ?   ?       ?      ? 
1 1 1   22    0    0 o  216.413   3.7533 0.000000 0.000000 
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1 1 1   22    1    8 o  234.479   1.9797 0.5518494 3.959495 
1 1 1   22    1    9 o  257.133   2.5814 0.5320129 5.162826 
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1 1 1   22    1   11 o  325.634   2.0800 -1.032684 4.159935 
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1 1 1   22    1   23 o   79.511   5.7058 12.65326 11.41164 
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1 1 1   22    1   25 o   87.760   4.5735 -15.99934 9.147072 
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1 1 1   22    1   29 o   51.523   9.3224 -0.5791473 18.64477 
1 1 1   22    1   30 o   84.210   5.5214 -18.28373 11.04286 
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1 1 1   22    2    3 o  130.473   2.5177 -2.863174 5.035332 
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1 1 1   22    2    9 o  172.380   2.5201 8.980865 5.040109 
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1 1 1   22    2   13 o  305.191   2.4232 -4.468658 4.846342 
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1 1 1   22    2   18 o  147.729   2.7602 4.195740 5.520442 
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1 1 1   22    2   27 o  108.034   4.2467 6.925072 8.493485 
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1 1 1   22    2   29 o   60.784   8.4299 15.90974 16.85983 
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1 1 1   22    5   30 o   39.622   9.0769 -18.05298 18.15381 
1 1 1   22    5   31 x  ?   ?       ?      ? 
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1 1 1   22    6   29 o  107.844   4.4477 11.83676 8.895433 
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1 1 1   22    7    8 o  550.552   2.9800 0.3002319 5.960077 
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1 1 1   22    8   14 o   66.974   5.3756 5.189400 10.75120 
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1 1 1   22    8   28 o   47.288   9.0979 -1.164948 18.19580 
1 1 1   22    8   29 o   47.666   8.7619 -14.26897 17.52386 
1 1 1   22    8   30 o   29.880   7.9599 20.76574 15.91980 
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1 1 1   22   10    7 o   39.325   8.0854 5.581635 16.17084 
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1 1 1   22   10   11 o   48.442   7.3332 -8.023502 14.66634 
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1 1 1   22   11   23 o   72.677   5.5772 1.309624 11.15438 
1 1 1   22   11   24 o  129.597   3.3118 -6.547920 6.623566 
1 1 1   22   11   25 o   48.969   8.0591 28.85689 16.11817 
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1 1 1   22   11   28 o   70.295   6.3349 -8.206703 12.66977 
1 1 1   22   11   29 o   58.833   7.8476 30.17530 15.69513 
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1 1 1   22   12   11 o  267.326   1.9798 0.8905334 3.959659 
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1 1 1   22   12   16 o   23.009   7.4260 -9.991785 14.85207 
1 1 1   22   12   17 o  139.517   2.5959 -3.173019 5.191800 
1 1 1   22   12   18 o   49.662   7.6509 -14.09091 15.30178 
1 1 1   22   12   19 o   89.755   4.0034 -13.83750 8.006715 
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1 1 1   22   12   22 o   76.069   5.6568 10.79359 11.31362 
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1 1 1   22   12   27 o  101.259   4.3828 17.88231 8.765697 
1 1 1   22   12   28 o   59.528   7.6614 -5.950325 15.32276 
1 1 1   22   13    0 o  407.259   3.2921 0.000000 0.000000 
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1 1 1   22   13    4 o  428.590   2.4165 -0.7980347 4.833066 
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1 1 1   22   13   24 o   65.892   6.3487 16.53270 12.69744 
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1 1 1   22   13   27 o   73.604   5.9388 -15.25768 11.87764 
1 1 1   22   13   28 o   25.291   7.9498 1.311920 15.89954 
1 1 1   22   14    0 o  194.636   2.8791 0.000000 0.000000 
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1 1 1   22   14   11 o   35.361   7.6992 -15.29952 15.39837 
1 1 1   22   14   12 o  210.347   1.9912 2.170029 3.982450 
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1 1 1   22   14   14 o  110.098   3.0061 1.762077 6.012237 
1 1 1   22   14   15 f   75.682   4.3156 -0.2910843 8.631120 
1 1 1   22   14   16 o   23.035   7.1765 0.7261200 14.35297 
1 1 1   22   14   17 o   45.988   7.1224 -12.38118 14.24476 
1 1 1   22   14   18 o  131.600   2.6801 -3.075455 5.360158 
1 1 1   22   14   19 o  162.430   2.5547 3.750198 5.109470 
1 1 1   22   14   20 o  172.936   2.4432 4.915222 4.886436 
1 1 1   22   14   21 o   39.885   8.3962 16.90799 16.79230 
1 1 1   22   14   22 f   26.211   8.0118 7.290186 16.02352 
1 1 1   22   14   23 o  131.120   3.1370 6.104584 6.273928 
1 1 1   22   14   24 o  106.787   3.8514 0.5285416 7.702819 
1 1 1   22   14   25 o   43.799   8.8404 0.1079483 17.68089 
1 1 1   22   14   26 o   65.826   7.1415 -22.55706 14.28296 
1 1 1   22   14   27 o   31.752   9.0011 17.61306 18.00220 
1 1 1   22   15    0 o  194.881   2.8577 0.000000 0.000000 
1 1 1   22   15    1 o  179.650   2.1099 -0.6036835 4.219843 
1 1 1   22   15    2 o  376.770   2.2207 6.390991 4.441397 
1 1 1   22   15    3 f  246.831   1.9302 -0.2388000E-01 3.860483 
1 1 1   22   15    4 o  143.908   2.4281 0.3021240E-01 4.856192 
1 1 1   22   15    5 o   86.829   3.7289 -8.400505 7.457837 
1 1 1   22   15    6 o  173.383   2.1190 1.975693 4.238053 
1 1 1   22   15    7 o  123.139   2.6902 4.210052 5.380450 
1 1 1   22   15    8 o  180.520   2.0672 -0.2230225 4.134355 
1 1 1   22   15    9 f   42.831   7.5178 -3.578812 15.03554 
1 1 1   22   15   10 f  253.538   1.8969 1.996231 3.793815 
1 1 1   22   15   11 o  158.510   2.2264 7.571564 4.452701 
1 1 1   22   15   12 o   92.948   3.4284 -1.779411 6.856761 
1 1 1   22   15   13 f   42.316   7.3079 12.92514 14.61580 
1 1 1   22   15   14 o  108.658   3.0064 -1.631882 6.012896 
1 1 1   22   15   15 o  118.253   2.7793 -5.585190 5.558579 
1 1 1   22   15   16 o  147.339   2.3496 -7.067062 4.699257 
1 1 1   22   15   17 o   26.366   7.3518 -11.09539 14.70368 
1 1 1   22   15   18 o  156.352   2.3454 2.253067 4.690763 
1 1 1   22   15   19 o  136.292   2.9070 -4.158371 5.814008 
1 1 1   22   15   20 o   30.425   8.3451 4.608765 16.69020 
1 1 1   22   15   21 o   97.517   4.2032 -2.564110 8.406434 
1 1 1   22   15   22 o  114.145   3.5925 -0.3596497 7.184963 
1 1 1   22   15   23 o   62.644   6.7676 -13.09461 13.53523 
1 1 1   22   15   24 o  104.210   3.9569 3.927422 7.913728 
1 1 1   22   15   25 o   44.105   8.7516 -6.115952 17.50318 
1 1 1   22   15   26 o   60.954   7.3874 -18.53919 14.77489 
1 1 1   22   15   27 o   39.256   9.0487 -1.206615 18.09748 
1 1 1   22   16    0 o   78.487   6.2071 0.000000 0.000000 
1 1 1   22   16    1 o  199.368   2.1556 -0.6588287 4.311255 
1 1 1   22   16    2 o  194.837   2.0152 0.5580444 4.030446 
1 1 1   22   16    3 o  133.499   2.5823 9.645279 5.164697 
1 1 1   22   16    4 o   87.288   3.6826 -10.86809 7.365153 
1 1 1   22   16    5 o  185.977   2.0305 -4.595627 4.061009 
1 1 1   22   16    6 o  108.142   3.0714 0.9205093 6.142758 
1 1 1   22   16    7 o  141.699   2.3692 2.332809 4.738469 
1 1 1   22   16    8 o  154.348   2.1983 5.077255 4.396569 
1 1 1   22   16    9 o   81.855   3.9098 -17.90693 7.819698 
1 1 1   22   16   10 o  256.215   1.8970 2.916336 3.793933 
1 1 1   22   16   11 o  104.394   3.1153 -2.498444 6.230698 
1 1 1   22   16   12 o  125.590   2.5442 3.278046 5.088410 
1 1 1   22   16   13 o  139.715   2.4197 -1.336609 4.839370 
1 1 1   22   16   14 o  166.347   2.1768 -5.792145 4.353592 
1 1 1   22   16   15 o  173.887   2.0723 1.386230 4.144653 
1 1 1   22   16   16 o   84.805   3.9810 -12.34034 7.962029 
1 1 1   22   16   17 o   60.035   5.4037 4.394814 10.80749 
1 1 1   22   16   18 o   54.435   7.1392 0.9282303E-01 14.27832 
1 1 1   22   16   19 o   18.567   6.3724 4.649492 12.74479 
1 1 1   22   16   20 f   44.834   7.6543 -13.83318 15.30863 
1 1 1   22   16   21 o   95.600   3.9970 0.3348083 7.994047 
1 1 1   22   16   22 o   26.697   8.0512 -0.6124134 16.10250 
1 1 1   22   16   23 o   85.905   4.9388 -21.10623 9.877639 
1 1 1   22   16   24 o  103.009   4.1503 -0.5053101 8.300695 
1 1 1   22   16   25 o   33.191   8.9491 2.858448 17.89828 
1 1 1   22   16   26 o   21.936   7.3020 6.104462 14.60392 
1 1 1   22   17    0 o   41.390   11.321 0.000000 0.000000 
1 1 1   22   17    1 o   73.278   4.3904 2.485664 8.780846 
1 1 1   22   17    2 o   57.832   6.2353 8.980038 12.47066 
1 1 1   22   17    3 o   67.695   4.7654 -1.008575 9.530748 
1 1 1   22   17    4 f   99.694   3.2441 9.909546 6.488116 
1 1 1   22   17    5 o  101.524   3.0662 -3.904747 6.132370 
1 1 1   22   17    6 o  238.817   1.8815 -1.954575 3.763047 
1 1 1   22   17    7 o  138.360   2.3811 7.857620 4.762257 
1 1 1   22   17    8 o  220.579   1.8977 -1.254303 3.795300 
1 1 1   22   17    9 o   87.218   3.5187 2.424843 7.037389 
1 1 1   22   17   10 o   69.166   4.3766 5.130066 8.753119 
1 1 1   22   17   11 o   75.396   4.1748 -5.646973 8.349564 
1 1 1   22   17   12 f  182.780   1.9862 4.092941 3.972367 
1 1 1   22   17   13 o   17.524   5.9328 1.513746 11.86563 
1 1 1   22   17   14 o   28.635   7.4808 12.85291 14.96160 
1 1 1   22   17   15 o  169.776   2.0957 -9.866211 4.191403 
1 1 1   22   17   16 o  115.123   2.7962 -0.7964020 5.592476 
1 1 1   22   17   17 f   53.174   6.1477 -9.746552 12.29540 
1 1 1   22   17   18 o  135.011   2.8762 2.613510 5.752400 
1 1 1   22   17   19 o   63.732   5.9050 3.571922 11.80999 
1 1 1   22   17   20 o   30.032   11.120      ?      ? 
1 1 1   22   17   21 o   93.995   4.0826 -1.064034 8.165123 
1 1 1   22   17   22 o  137.272   3.0536 -6.483078 6.107251 
1 1 1   22   17   23 o   21.328   7.0611 -1.736849 14.12213 
1 1 1   22   17   24 o   97.967   4.3170 -6.394508 8.634083 
1 1 1   22   17   25 o   39.053   9.2270 4.481266 18.45393 
1 1 1   22   17   26 o   87.046   5.6013 -16.57318 11.20251 
1 1 1   22   18    0 o  226.020   3.2028 0.000000 0.000000 
1 1 1   22   18    1 o   74.021   4.3220 10.49833 8.643970 
1 1 1   22   18    2 o  146.146   2.6501 5.290939 5.300186 
1 1 1   22   18    3 f   94.698   3.2713 -4.488106 6.542546 
1 1 1   22   18    4 o  127.051   2.5669 2.278465 5.133801 
1 1 1   22   18    5 f  178.177   2.0344 -4.371826 4.068775 
1 1 1   22   18    6 o   35.876   7.4029 11.50101 14.80588 
1 1 1   22   18    7 o  139.876   2.3442 -2.127136 4.688387 
1 1 1   22   18    8 o   19.817   6.3268 9.788282 12.65357 
1 1 1   22   18    9 o   70.056   4.3556 4.415695 8.711150 
1 1 1   22   18   10 o   91.227   3.3385 -3.970886 6.676985 
1 1 1   22   18   11 o  152.072   2.1714 -2.157562 4.342824 
1 1 1   22   18   12 o  146.925   2.1963 -10.29901 4.392637 
1 1 1   22   18   13 o   54.758   5.2754 -3.028290 10.55075 
1 1 1   22   18   14 o   68.428   4.5778 16.27699 9.155568 
1 1 1   22   18   15 o   78.495   3.9734 -18.35114 7.946883 
1 1 1   22   18   16 o   79.832   3.7174 7.629257 7.434900 
1 1 1   22   18   17 o   33.299   8.2941 1.484840 16.58811 
1 1 1   22   18   18 o   69.031   5.5101 -5.377823 11.02030 
1 1 1   22   18   19 o   29.143   8.3935 -3.073008 16.78707 
1 1 1   22   18   20 o   86.512   4.4984 2.505051 8.996886 
1 1 1   22   18   21 o   83.117   4.8342 2.157379 9.668364 
1 1 1   22   18   22 o  147.126   2.8585 5.889893 5.716981 
1 1 1   22   18   23 o   97.933   4.1831 6.242577 8.366110 
1 1 1   22   18   24 o   64.859   6.1602 3.543819 12.32037 
1 1 1   22   18   25 o   85.767   5.2205 1.557655 10.44093 
1 1 1   22   19    0 o  232.858   2.7255 0.000000 0.000000 
1 1 1   22   19    1 o  200.633   1.9298 1.188309 3.859636 
1 1 1   22   19    2 f  100.206   3.1779 -0.3611755E-01 6.355705 
1 1 1   22   19    3 o  185.638   2.0055 5.799774 4.010982 
1 1 1   22   19    4 o   85.567   3.6885 -1.865730 7.377073 
1 1 1   22   19    5 o   90.172   3.4399 -1.585129 6.879891 
1 1 1   22   19    6 o  190.686   1.9293 -0.1530304 3.858673 
1 1 1   22   19    7 o   22.993   7.0690 -1.095701 14.13808 
1 1 1   22   19    8 f  138.354   2.2991 -9.482178 4.598144 
1 1 1   22   19    9 o   31.477   7.6609 2.461208 15.32182 
1 1 1   22   19   10 o   49.851   6.1802 -16.66431 12.36039 
1 1 1   22   19   11 o   18.658   6.1866 4.314568 12.37326 
1 1 1   22   19   12 f   65.935   4.7037 -19.36059 9.407407 
1 1 1   22   19   13 o  198.795   2.0296 -2.132904 4.059206 
1 1 1   22   19   14 o  120.205   2.5867 -0.4208221 5.173316 
1 1 1   22   19   15 o   74.183   4.0077 -5.138504 8.015449 
1 1 1   22   19   16 o   56.640   6.0611 4.083809 12.12217 
1 1 1   22   19   17 o   35.942   7.9325 -7.137356 15.86493 
1 1 1   22   19   18 o  101.151   4.6070 -19.09489 9.213988 
1 1 1   22   19   19 o   52.130   7.3372 -7.156712 14.67432 
1 1 1   22   19   20 o  128.464   3.1912 6.089928 6.382382 
1 1 1   22   19   21 o   96.379   4.1066 2.068169 8.213207 
1 1 1   22   19   22 o  134.006   3.1717 -6.255539 6.343333 
1 1 1   22   19   23 o   36.511   8.6283 3.857819 17.25662 
1 1 1   22   19   24 o   33.114   8.0850 -9.483408 16.16998 
1 1 1   22   20    0 o   14.088   7.1743 0.000000 0.000000 
1 1 1   22   20    1 o  112.558   2.8397 5.642883 5.679306 
1 1 1   22   20    2 o   74.057   4.1946 0.6901016 8.389118 
1 1 1   22   20    3 o  158.033   2.1846 -2.291504 4.369195 
1 1 1   22   20    4 o  153.675   2.2074 4.316010 4.414717 
1 1 1   22   20    5 o  154.342   2.1951 -3.800491 4.390261 
1 1 1   22   20    6 o  163.434   2.1098 -2.075287 4.219505 
1 1 1   22   20    7 o   34.393   7.3703 13.68238 14.74057 
1 1 1   22   20    8 o   68.808   4.2960 7.697311 8.591950 
1 1 1   22   20    9 o  142.584   2.3170 -2.075790 4.634041 
1 1 1   22   20   10 o  140.449   2.3385 -0.8882599 4.676954 
1 1 1   22   20   11 o  122.743   3.0859 12.76666 6.171865 
1 1 1   22   20   12 o   24.130   6.5322 -19.51934 13.06446 
1 1 1   22   20   13 o   58.654   4.8611 0.7688713 9.722169 
1 1 1   22   20   14 f   25.505   7.2427 4.167221 14.48542 
1 1 1   22   20   15 o   84.509   4.2400 2.111282 8.479960 
1 1 1   22   20   16 f   70.887   4.9464 -0.9203491 9.892841 
1 1 1   22   20   17 o  104.511   3.4824 -4.857086 6.964813 
1 1 1   22   20   18 o   59.001   6.3181 -2.943665 12.63611 
1 1 1   22   20   19 o   91.338   4.1173 5.455421 8.234601 
1 1 1   22   20   20 o  187.852   2.4111 -0.2225342 4.822243 
1 1 1   22   20   21 o   97.651   4.0620 1.279449 8.124047 
1 1 1   22   20   22 o   32.305   8.5853 6.420176 17.17051 
1 1 1   22   20   23 o   74.297   5.6738 -1.032249 11.34756 
1 1 1   22   21    0 o   19.724   9.1081 0.000000 0.000000 
1 1 1   22   21    1 o   87.657   3.5139 -3.989571 7.027812 
1 1 1   22   21    2 o  159.197   2.1772 3.512878 4.354369 
1 1 1   22   21    3 o   39.759   7.5163 7.810402 15.03260 
1 1 1   22   21    4 o   22.946   7.0046 -7.216539 14.00926 
1 1 1   22   21    5 o  132.859   2.4260 -3.480637 4.851914 
1 1 1   22   21    6 o  216.737   1.8821 -0.1993561 3.764289 
1 1 1   22   21    7 o   19.158   6.2007 8.284223 12.40138 
1 1 1   22   21    8 o  129.240   2.5217 -0.6736450 5.043351 
1 1 1   22   21    9 o  163.778   3.0704 52.30907 6.140778 
1 1 1   22   21   10 o   55.175   5.7280 -17.30805 11.45601 
1 1 1   22   21   11 f   54.486   5.7640 -17.16012 11.52808 
1 1 1   22   21   12 o   48.558   6.1361 -8.913704 12.27211 
1 1 1   22   21   13 o   53.924   5.5279 -10.84086 11.05580 
1 1 1   22   21   14 o  168.964   2.3549 0.1879578 4.709749 
1 1 1   22   21   15 o   92.756   3.9412 -2.603966 7.882339 
1 1 1   22   21   16 o  107.045   3.4265 -0.4786224 6.853014 
1 1 1   22   21   17 o   61.523   6.2103 -9.134735 12.42063 
1 1 1   22   21   18 o   79.877   4.8058 -9.061928 9.611505 
1 1 1   22   21   19 o   89.558   4.1319 6.832664 8.263838 
1 1 1   22   21   20 o   37.243   7.8488 -14.50938 15.69762 
1 1 1   22   21   21 o   78.619   5.0315 -5.608315 10.06308 
1 1 1   22   21   22 o   44.083   8.5088 -4.067223 17.01753 
1 1 1   22   22    0 o  184.604   2.8020 0.000000 0.000000 
1 1 1   22   22    1 o  114.807   2.7652 5.683502 5.530316 
1 1 1   22   22    2 o   67.656   4.6895 1.752602 9.378959 
1 1 1   22   22    3 o   21.555   6.8639 0.8049698 13.72774 
1 1 1   22   22    4 o  147.057   2.3680 10.70753 4.736041 
1 1 1   22   22    5 f   40.477   8.4339 -4.206394 16.86778 
1 1 1   22   22    6 o  227.102   1.9769 2.928772 3.953807 
1 1 1   22   22    7 o  100.075   3.8071 7.712456 7.614189 
1 1 1   22   22    8 o  163.646   2.1329 -8.342163 4.265866 
1 1 1   22   22    9 o  128.193   2.5520 5.143684 5.103973 
1 1 1   22   22   10 o   46.787   6.4615 -4.968472 12.92306 
1 1 1   22   22   11 o   56.526   5.0639 -1.197323 10.12782 
1 1 1   22   22   12 o  138.523   3.1561 6.753128 6.312278 
1 1 1   22   22   13 o  117.642   3.5802 3.827652 7.160414 
1 1 1   22   22   14 o   64.897   6.4630 4.306076 12.92594 
1 1 1   22   22   15 o   29.590   8.6043 9.524212 17.20863 
1 1 1   22   22   16 o   66.053   6.6276 -2.298485 13.25525 
1 1 1   22   22   17 o   96.614   4.6416 -1.537079 9.283251 
1 1 1   22   22   18 o   99.635   4.4147 -10.97030 8.829307 
1 1 1   22   22   19 o   16.936   5.8603 1.185196 11.72055 
1 1 1   22   22   20 o   49.361   7.5050 -12.08860 15.00993 
1 1 1   22   22   21 o   59.335   7.5037 -27.69882 15.00735 
1 1 1   22   23    0 o   95.005   4.9167 0.000000 0.000000 
1 1 1   22   23    1 o   86.194   3.8497 -10.34315 7.699431 
1 1 1   22   23    2 o  137.515   2.4215 -3.567474 4.843009 
1 1 1   22   23    3 o   23.828   7.1216 7.928823 14.24320 
1 1 1   22   23    4 o   56.110   5.5237 -5.783569 11.04741 
1 1 1   22   23    5 o  101.565   3.1256 -2.304642 6.251147 
1 1 1   22   23    6 o   87.348   3.4987 -3.923927 6.997406 
1 1 1   22   23    7 o  128.018   2.5012 3.420860 5.002498 
1 1 1   22   23    8 o   94.438   3.2413 -8.463669 6.482692 
1 1 1   22   23    9 o   81.912   3.7499 8.172134 7.499744 
1 1 1   22   23   10 o   46.585   8.4247 -2.854485 16.84936 
1 1 1   22   23   11 o  127.086   3.4087 1.087677 6.817489 
1 1 1   22   23   12 o   44.842   8.6048 -15.65796 17.20968 
1 1 1   22   23   13 o   30.952   8.8176 -4.337189 17.63530 
1 1 1   22   23   14 o   76.128   5.6093 7.931923 11.21869 
1 1 1   22   23   15 o   79.834   5.3723 2.187126 10.74466 
1 1 1   22   23   16 o   38.584   9.4026 -1.531769 18.80525 
1 1 1   22   23   17 o   62.899   7.3055 10.31846 14.61090 
1 1 1   22   23   18 o   32.428   9.0896 -6.186085 18.17920 
1 1 1   22   23   19 o   68.272   6.8976 16.29078 13.79524 
1 1 1   22   23   20 o   39.512   9.4424 3.013687 18.88474 
1 1 1   22   24    0 o  125.770   3.7149 0.000000 0.000000 
1 1 1   22   24    1 o  124.579   2.7259 5.709747 5.451754 
1 1 1   22   24    2 o   44.918   7.0176 -6.172955 14.03518 
1 1 1   22   24    3 o   79.940   3.9946 0.5101013E-01 7.989256 
1 1 1   22   24    4 o   20.159   6.5334 3.684605 13.06678 
1 1 1   22   24    5 o  107.230   2.9759 10.36861 5.951761 
1 1 1   22   24    6 o   43.054   7.0939 -2.649837 14.18777 
1 1 1   22   24    7 o  102.087   3.0635 5.869057 6.127080 
1 1 1   22   24    8 o   20.664   6.5020 6.754759 13.00409 
1 1 1   22   24    9 o  133.138   3.2908 -9.107452 6.581528 
1 1 1   22   24   10 o   98.547   4.5005 -4.081047 9.000951 
1 1 1   22   24   11 o   58.581   7.1856 2.633884 14.37124 
1 1 1   22   24   12 o   50.978   8.3416 18.30384 16.68320 
1 1 1   22   24   13 o   41.343   9.0825 7.174667 18.16504 
1 1 1   22   24   14 o   80.134   5.4229 -7.125923 10.84574 
1 1 1   22   24   15 o   39.684   9.2844 1.294231 18.56876 
1 1 1   22   24   16 o   41.680   9.2234 -8.749912 18.44683 
1 1 1   22   24   17 o   85.244   5.2598 8.155159 10.51963 
1 1 1   22   24   18 o   31.135   8.8113 11.02978 17.62259 
1 1 1   22   24   19 o   44.178   9.0224 15.74470 18.04473 
1 1 1   22   25    0 o  136.094   3.6130 0.000000 0.000000 
1 1 1   22   25    1 o   22.898   7.1405 4.874599 14.28109 
1 1 1   22   25    2 o   45.650   7.1436 -7.663963 14.28717 
1 1 1   22   25    3 o   25.023   7.4521 -1.890598 14.90421 
1 1 1   22   25    4 o   51.519   6.1249 1.248360 12.24979 
1 1 1   22   25    5 o   43.730   7.1717 -6.114697 14.34331 
1 1 1   22   25    6 o   21.009   6.5137 8.802982 13.02747 
1 1 1   22   25    7 o   22.695   6.9884 0.9241104E-01 13.97676 
1 1 1   22   25    8 o  145.057   3.0978 -0.2017212E-01 6.195642 
1 1 1   22   25    9 o   44.679   9.0788 -5.315666 18.15753 
1 1 1   22   25   10 o   89.800   4.6625 -3.848778 9.325069 
1 1 1   22   25   11 o   39.819   9.1703 -1.544071 18.34068 
1 1 1   22   25   12 o   32.906   8.9354 -8.818068 17.87071 
1 1 1   22   25   13 o   37.747   9.1840 -5.580849 18.36809 
1 1 1   22   25   14 o   31.977   8.8801 7.218990 17.76012 
1 1 1   22   25   15 o  113.021   4.0257 1.035713 8.051446 
1 1 1   22   25   16 o   27.523   8.5649 -8.607269 17.12986 
1 1 1   22   25   17 o   38.404   9.3062 -15.06738 18.61235 
1 1 1   22   25   18 x  ?   ?       ?      ? 
1 1 1   22   26    0 o   51.980   11.594 0.000000 0.000000 
1 1 1   22   26    1 o  148.104   2.5539 -0.6405945 5.107763 
1 1 1   22   26    2 o   84.419   3.8670 -2.596466 7.734025 
1 1 1   22   26    3 o   40.853   7.7280 0.4595375 15.45601 
1 1 1   22   26    4 o   34.462   7.8682 5.338161 15.73633 
1 1 1   22   26    5 o   36.247   7.8477 -1.980751 15.69539 
1 1 1   22   26    6 o   22.511   7.0260 -2.745699 14.05194 
1 1 1   22   26    7 o   88.442   3.4722 1.142044 6.944357 
1 1 1   22   26    8 o   63.801   6.5375 0.6294556 13.07502 
1 1 1   22   26    9 o   41.237   9.1788 5.788216 18.35768 
1 1 1   22   26   10 o   31.946   8.9110 1.817081 17.82198 
1 1 1   22   26   11 o   57.805   7.4888 -7.976616 14.97753 
1 1 1   22   26   12 o   28.541   8.3260 12.81751 16.65192 
1 1 1   22   26   13 o   48.047   9.0430 1.415417 18.08602 
1 1 1   22   26   14 o   64.694   7.2899 12.33698 14.57984 
1 1 1   22   26   15 o   55.714   8.2381 -15.18803 16.47627 
1 1 1   22   26   16 o   66.404   8.3468 59.93668 16.69360 
1 1 1   22   27    0 o   42.961   11.780 0.000000 0.000000 
1 1 1   22   27    1 o   60.000   5.9903 3.046345 11.98052 
1 1 1   22   27    2 o   88.555   3.8344 7.634979 7.668896 
1 1 1   22   27    3 o   30.510   8.0213 -2.068975 16.04262 
1 1 1   22   27    4 o   29.340   7.6008 -14.88311 15.20162 
1 1 1   22   27    5 o   26.399   7.5496 5.369242 15.09923 
1 1 1   22   27    6 o   65.177   5.0243 2.628098 10.04869 
1 1 1   22   27    7 o   88.345   4.8390 -1.502617 9.677908 
1 1 1   22   27    8 o   57.908   7.4207 11.93921 14.84147 
1 1 1   22   27    9 o   27.994   8.5528 -2.516281 17.10569 
1 1 1   22   27   10 o  140.778   3.2726 3.353592 6.545256 
1 1 1   22   27   11 o   38.411   9.2931 7.051407 18.58622 
1 1 1   22   27   12 o   47.322   9.4244 -17.41784 18.84876 
1 1 1   22   27   13 o   70.155   6.4317 8.978050 12.86333 
1 1 1   22   27   14 o   23.996   7.8717 3.817738 15.74343 
1 1 1   22   28    0 o   16.596   8.2778 0.000000 0.000000 
1 1 1   22   28    1 o   32.793   7.9706 -16.29447 15.94119 
1 1 1   22   28    2 o   28.348   7.7413 11.03783 15.48253 
1 1 1   22   28    3 f   29.722   8.0763 -5.212902 16.15259 
1 1 1   22   28    4 o   32.743   7.6706 -20.16819 15.34118 
1 1 1   22   28    5 o   29.915   7.7457 -15.83684 15.49140 
1 1 1   22   28    6 o   98.059   3.3887 10.96315 6.777387 
1 1 1   22   28    7 o   30.119   8.7067 -5.458300 17.41339 
1 1 1   22   28    8 o   38.355   8.1804 -27.96981 16.36082 
1 1 1   22   28    9 o   69.077   6.4596 9.124352 12.91911 
1 1 1   22   28   10 o   31.000   9.3078 6.585688 18.61567 
1 1 1   22   28   11 o   25.404   8.0929 3.104193 16.18590 
1 1 1   22   28   12 o   55.568   8.1943 -18.63803 16.38853 
1 1 1   22   29    0 o   38.486   9.3353 0.000000 0.000000 
1 1 1   22   29    1 o   37.042   8.4069 13.69397 16.81388 
1 1 1   22   29    2 o   32.898   8.2660 -12.34956 16.53194 
1 1 1   22   29    3 o   52.300   7.0114 -7.332687 14.02279 
1 1 1   22   29    4 o   48.745   7.3621 -8.722466 14.72425 
1 1 1   22   29    5 o   75.385   4.9129 28.45453 9.825875 
1 1 1   22   29    6 o   42.731   8.7324 20.08953 17.46479 
1 1 1   22   29    7 o   91.570   4.9191 -20.61660 9.838161 
1 1 1   22   29    8 o  106.637   6.9883      ?      ? 
1 1 1   22   29    9 o   58.750   7.5132 -15.05779 15.02635 
1 1 1   22   29   10 x  ?   ?       ?      ? 
1 1 1   22   30    0 o   64.678   8.6575 0.000000 0.000000 
1 1 1   22   30    1 o   42.342   7.3950 -28.11618 14.79004 
1 1 1   22   30    2 f   77.770   4.7584 4.900543 9.516845 
1 1 1   22   30    3 o   30.722   8.5453 15.26597 17.09055 
1 1 1   22   30    4 f   57.262   6.5518 24.97345 13.10360 
1 1 1   22   30    5 o  121.236   5.8161 -2.516922 11.63224 
1 1 1   22   30    6 x  ?   ?       ?      ? 
1 1 1   23    0    1 o  105.865   4.4915 0.000000 0.000000 
1 1 1   23    0    2 o  202.167   2.7257 0.000000 0.000000 
1 1 1   23    0    3 o  430.158   4.1748 0.000000 0.000000 
1 1 1   23    0    4 o  210.997   3.7680 0.000000 0.000000 
1 1 1   23    0    5 o  290.962   2.7770 0.000000 0.000000 
1 1 1   23    0    6 f   68.795   8.3942 0.000000 0.000000 
1 1 1   23    0    7 o  391.675   3.2076 0.000000 0.000000 
1 1 1   23    0    8 o  129.526   3.9976 0.000000 0.000000 
1 1 1   23    0    9 o   75.555   6.6743 0.000000 0.000000 
1 1 1   23    0   10 o  322.288   2.9593 0.000000 0.000000 
1 1 1   23    0   11 o  351.453   3.0577 0.000000 0.000000 
1 1 1   23    0   12 o  264.009   2.8482 0.000000 0.000000 
1 1 1   23    0   13 o  264.314   2.9160 0.000000 0.000000 
1 1 1   23    0   14 o  249.019   2.8137 0.000000 0.000000 
1 1 1   23    0   15 o  271.731   2.9199 0.000000 0.000000 
1 1 1   23    0   16 o  284.008   2.9180 0.000000 0.000000 
1 1 1   23    0   17 o  284.932   3.5445 0.000000 0.000000 
1 1 1   23    0   18 o   97.916   5.5336 0.000000 0.000000 
1 1 1   23    0   19 o  222.694   2.8970 0.000000 0.000000 
1 1 1   23    0   20 o  147.554   3.8172 0.000000 0.000000 
1 1 1   23    0   21 o  120.018   4.5446 0.000000 0.000000 
1 1 1   23    0   22 o   97.914   6.9658 0.000000 0.000000 
1 1 1   23    0   23 o   81.908   7.5142 0.000000 0.000000 
1 1 1   23    0   24 o   26.081   11.126 0.000000 0.000000 
1 1 1   23    0   25 o  111.026   5.4474 0.000000 0.000000 
1 1 1   23    0   26 o  130.902   4.8104 0.000000 0.000000 
1 1 1   23    0   27 o  200.078   3.5226 0.000000 0.000000 
1 1 1   23    0   28 o   17.859   9.0839 0.000000 0.000000 
1 1 1   23    0   29 o   27.430   12.135 0.000000 0.000000 
1 1 1   23    0   30 o  151.027   5.6198 0.000000 0.000000 
1 1 1   23    1    0 o  315.952   2.7823 0.000000 0.000000 
1 1 1   23    1    1 o  142.914   2.6043 -1.842407 5.208692 
1 1 1   23    1    2 o  241.815   1.8859 0.1440735 3.771888 
1 1 1   23    1    3 o  250.718   1.8868 -0.3545532 3.773623 
1 1 1   23    1    4 o  299.167   2.2542 4.465454 4.508358 
1 1 1   23    1    5 o  436.033   2.8122 1.101227 5.624419 
1 1 1   23    1    6 o  131.483   2.7086 7.510345 5.417127 
1 1 1   23    1    7 o  394.739   2.2927 -2.458130 4.585337 
1 1 1   23    1    8 o  184.462   2.1494 1.153320 4.298823 
1 1 1   23    1    9 o  157.957   2.4602 -1.752655 4.920438 
1 1 1   23    1   10 o  239.066   1.9934 -2.916016 3.986810 
1 1 1   23    1   11 o  139.997   2.7083 -2.458969 5.416651 
1 1 1   23    1   12 o  222.759   2.1105 -2.687897 4.220923 
1 1 1   23    1   13 o  314.420   2.0984 0.5501404 4.196883 
1 1 1   23    1   14 o  235.940   2.0884 -6.958328 4.176895 
1 1 1   23    1   15 o  330.578   2.1365 -2.032745 4.272912 
1 1 1   23    1   16 f   48.483   7.8939 -14.27465 15.78776 
1 1 1   23    1   17 o  137.126   2.8565 -3.843338 5.712921 
1 1 1   23    1   18 o   88.477   4.2142 -2.678162 8.428459 
1 1 1   23    1   19 o  186.819   2.2709 7.018707 4.541810 
1 1 1   23    1   20 o   78.689   4.8717 -17.88785 9.743385 
1 1 1   23    1   21 f   58.805   7.0681 28.95927 14.13614 
1 1 1   23    1   22 o   87.436   4.9255 9.309746 9.850934 
1 1 1   23    1   23 o   73.180   5.3870 -4.530441 10.77396 
1 1 1   23    1   24 o   72.609   5.2860 7.784821 10.57195 
1 1 1   23    1   25 o  261.936   2.1566 -7.533905 4.313151 
1 1 1   23    1   26 o  198.122   2.5135 -5.594940 5.026975 
1 1 1   23    1   27 o  105.893   3.9729 8.564262 7.945832 
1 1 1   23    1   28 o   47.764   9.6211 -4.717434 19.24229 
1 1 1   23    1   29 o   93.165   5.1601 -14.22019 10.32016 
1 1 1   23    1   30 o   40.566   9.2414 -6.702133 18.48270 
1 1 1   23    2    0 o  404.024   3.2316 0.000000 0.000000 
1 1 1   23    2    1 o  325.039   2.1628 -0.5231323 4.325505 
1 1 1   23    2    2 o  240.824   1.9010 -0.5194855 3.802077 
1 1 1   23    2    3 o  145.621   2.5509 0.9634399 5.101854 
1 1 1   23    2    4 f  263.283   2.2014 1.132629 4.402777 
1 1 1   23    2    5 o  222.488   2.5309 -4.713257 5.061786 
1 1 1   23    2    6 o  384.566   2.2481 -0.3414001 4.496209 
1 1 1   23    2    7 o  147.324   2.7086 -9.582687 5.417186 
1 1 1   23    2    8 o  238.818   1.9661 2.058578 3.932149 
1 1 1   23    2    9 o  139.358   2.6163 3.992325 5.232534 
1 1 1   23    2   10 o  152.718   2.4832 -3.451706 4.966392 
1 1 1   23    2   11 o  261.286   2.0067 3.169067 4.013491 
1 1 1   23    2   12 o  255.263   2.0198 0.7413635 4.039519 
1 1 1   23    2   13 o   97.030   3.8359 4.207664 7.671871 
1 1 1   23    2   14 o  169.787   2.4517 -0.9251404 4.903389 
1 1 1   23    2   15 o  115.409   3.2476 -3.433624 6.495214 
1 1 1   23    2   16 o  266.680   2.0652 -1.455566 4.130371 
1 1 1   23    2   17 o   22.361   7.2139 -4.028605 14.42783 
1 1 1   23    2   18 o   93.631   4.0052 -1.687134 8.010461 
1 1 1   23    2   19 o   72.581   5.1630 -6.049728 10.32601 
1 1 1   23    2   20 o  245.066   2.0332 -2.307404 4.066448 
1 1 1   23    2   21 o   73.688   5.1286 -4.902412 10.25722 
1 1 1   23    2   22 o  107.994   3.6464 -10.27692 7.292738 
1 1 1   23    2   23 o  128.609   3.0738 7.533913 6.147647 
1 1 1   23    2   24 o  130.040   3.1098 -2.557648 6.219515 
1 1 1   23    2   25 o  132.161   3.1820 -1.271515 6.363909 
1 1 1   23    2   26 o   37.881   8.8946 -12.75654 17.78919 
1 1 1   23    2   27 o  121.292   3.8640 -3.396049 7.727939 
1 1 1   23    2   28 o  173.962   2.9018 1.252258 5.803690 
1 1 1   23    2   29 o   88.793   5.3060 -3.313263 10.61194 
1 1 1   23    2   30 o   31.636   8.8553 2.062830 17.71054 
1 1 1   23    3    0 o  231.116   2.6483 0.000000 0.000000 
1 1 1   23    3    1 o  246.717   1.8608 -6.636002 3.721692 
1 1 1   23    3    2 f  142.732   2.5633 4.559097 5.126539 
1 1 1   23    3    3 o   84.688   4.9702 3.336105 9.940320 
1 1 1   23    3    4 o  294.979   2.1184 12.67062 4.236814 
1 1 1   23    3    5 o  370.410   2.1903 -3.264099 4.380694 
1 1 1   23    3    6 o  547.706   2.9625 -0.9290771 5.925046 
1 1 1   23    3    7 o  252.283   1.9547 -1.861237 3.909482 
1 1 1   23    3    8 o  112.092   3.0851 -0.1449280 6.170237 
1 1 1   23    3    9 o   48.615   7.1088 -8.973286 14.21770 
1 1 1   23    3   10 o  332.476   2.1052 -2.427216 4.210472 
1 1 1   23    3   11 o   55.539   6.4672 0.8676720 12.93438 
1 1 1   23    3   12 o   58.467   6.2176 -8.687153 12.43515 
1 1 1   23    3   13 o  193.932   2.2246 3.540131 4.449209 
1 1 1   23    3   14 o   82.639   4.6699 19.97028 9.339796 
1 1 1   23    3   15 o   66.540   5.4623 2.774666 10.92454 
1 1 1   23    3   16 o  191.600   2.1851 -6.878143 4.370254 
1 1 1   23    3   17 o   86.788   4.2415 -3.838104 8.482917 
1 1 1   23    3   18 o   71.466   5.1568 11.04036 10.31369 
1 1 1   23    3   19 o  109.155   3.4143 9.410866 6.828540 
1 1 1   23    3   20 o  101.075   3.6292 5.856430 7.258488 
1 1 1   23    3   21 o  110.277   3.5184 -10.85089 7.036787 
1 1 1   23    3   22 f  123.273   3.5170 8.950424 7.034097 
1 1 1   23    3   23 o   76.640   5.1163 0.8750000 10.23267 
1 1 1   23    3   24 o   37.660   8.4755 -14.50659 16.95103 
1 1 1   23    3   25 o   35.000   8.6915 10.30536 17.38301 
1 1 1   23    3   26 o   74.996   5.6003 -8.992592 11.20070 
1 1 1   23    3   27 o  105.414   4.3150 -3.313980 8.629931 
1 1 1   23    3   28 o   68.774   6.8796 8.069412 13.75921 
1 1 1   23    3   29 o   30.957   9.1386 -6.222279 18.27713 
1 1 1   23    3   30 o   27.047   8.3294 -6.255680 16.65882 
1 1 1   23    4    0 o  534.373   4.0830 0.000000 0.000000 
1 1 1   23    4    1 o  337.563   2.5333 0.7605591 5.066617 
1 1 1   23    4    2 f  314.310   2.1338 2.709961 4.267648 
1 1 1   23    4    3 o  152.247   2.6524 -2.668152 5.304876 
1 1 1   23    4    4 o  398.878   2.2887 -3.013489 4.577408 
1 1 1   23    4    5 o  431.805   2.4304 -0.4613037 4.860844 
1 1 1   23    4    6 o  176.140   2.2229 7.931961 4.445749 
1 1 1   23    4    7 o  268.031   1.9518 4.944550 3.903500 
1 1 1   23    4    8 o  290.888   1.9740 -1.185028 3.947996 
1 1 1   23    4    9 o  300.017   2.0293 -2.510559 4.058679 
1 1 1   23    4   10 o   67.061   7.1274 75.79852 14.25487 
1 1 1   23    4   11 o  242.207   2.0191 -2.039566 4.038214 
1 1 1   23    4   12 o  318.970   2.0912 -5.922455 4.182388 
1 1 1   23    4   13 f  179.335   2.2966 -1.406631 4.593292 
1 1 1   23    4   14 f   32.199   8.3575 8.694889 16.71507 
1 1 1   23    4   15 o  160.148   2.4921 2.309387 4.984241 
1 1 1   23    4   16 o  224.333   2.0749 -4.073700 4.149723 
1 1 1   23    4   17 o   95.042   3.8787 -8.597420 7.757469 
1 1 1   23    4   18 o   70.042   5.2814 14.26767 10.56277 
1 1 1   23    4   19 o  165.816   2.4103 -2.934143 4.820655 
1 1 1   23    4   20 o  204.047   2.1531 -0.9811249 4.306242 
1 1 1   23    4   21 o  207.348   2.2178 2.117874 4.435680 
1 1 1   23    4   22 o   29.008   8.3829 -5.894196 16.76577 
1 1 1   23    4   23 o   60.122   6.4007 1.268684 12.80136 
1 1 1   23    4   24 o   83.662   4.6253 -9.103256 9.250610 
1 1 1   23    4   25 o   28.858   8.2181 13.21760 16.43622 
1 1 1   23    4   26 f   87.748   5.2129 17.02112 10.42573 
1 1 1   23    4   27 o   53.581   8.6348 4.866795 17.26963 
1 1 1   23    4   28 o   83.055   5.5969 12.41534 11.19384 
1 1 1   23    4   29 o   23.345   7.7641 2.883902 15.52815 
1 1 1   23    4   30 o   33.221   9.1013 -13.37722 18.20262 
1 1 1   23    5    0 o  161.572   3.8804 0.000000 0.000000 
1 1 1   23    5    1 o  362.759   2.3119 0.8656921 4.623861 
1 1 1   23    5    2 o  126.858   2.6723 4.834587 5.344635 
1 1 1   23    5    3 o  176.254   2.1274 -4.479950 4.254895 
1 1 1   23    5    4 o  191.128   2.1720 -8.385818 4.344053 
1 1 1   23    5    5 o  507.746   2.7706 3.480652 5.541229 
1 1 1   23    5    6 o  542.075   2.9316 -2.250183 5.863247 
1 1 1   23    5    7 o  311.426   2.0147 -2.883209 4.029397 
1 1 1   23    5    8 o  278.118   1.9923 2.682495 3.984645 
1 1 1   23    5    9 o  166.149   2.3397 -4.920944 4.679427 
1 1 1   23    5   10 o  104.058   3.4976 -12.03329 6.995106 
1 1 1   23    5   11 o  226.949   1.9877 5.922150 3.975302 
1 1 1   23    5   12 o   41.039   8.1695 12.74394 16.33908 
1 1 1   23    5   13 o  279.448   2.0527 3.031769 4.105415 
1 1 1   23    5   14 o  177.358   2.3272 6.510925 4.654470 
1 1 1   23    5   15 f   58.179   6.4577 -10.30299 12.91543 
1 1 1   23    5   16 o  212.291   2.0903 -0.5823669 4.180701 
1 1 1   23    5   17 o   27.424   7.9867 0.9194641 15.97331 
1 1 1   23    5   18 o   30.050   8.1892 -3.062000 16.37845 
1 1 1   23    5   19 o  147.882   2.6419 6.593567 5.283735 
1 1 1   23    5   20 o   69.651   5.3532 -12.36039 10.70648 
1 1 1   23    5   21 o   97.928   3.9837 -4.501892 7.967487 
1 1 1   23    5   22 o   21.501   7.1949 -7.023365 14.38984 
1 1 1   23    5   23 o   61.483   6.5365 -18.27272 13.07299 
1 1 1   23    5   24 o   84.552   4.6763 -18.16531 9.352657 
1 1 1   23    5   25 o   66.680   6.0372 10.02517 12.07445 
1 1 1   23    5   26 o   54.174   8.5052 4.619987 17.01049 
1 1 1   23    5   27 o   56.106   8.1427 -5.955830 16.28546 
1 1 1   23    5   28 o   64.661   7.6788 -20.71561 15.35750 
1 1 1   23    5   29 o   64.765   7.3913 -1.338600 14.78269 
1 1 1   23    5   30 x  ?   ?       ?      ? 
1 1 1   23    6    0 o   23.946   10.123 0.000000 0.000000 
1 1 1   23    6    1 o  373.156   2.1818 0.3358154 4.363547 
1 1 1   23    6    2 o  125.220   2.7067 2.636337 5.413380 
1 1 1   23    6    3 o  587.593   3.3999 7.062561 6.799748 
1 1 1   23    6    4 f  331.806   2.0398 2.507996 4.079597 
1 1 1   23    6    5 o  373.772   2.1930 1.312653 4.385934 
1 1 1   23    6    6 o  211.857   1.9738 3.236755 3.947581 
1 1 1   23    6    7 o  130.506   2.6996 -7.076302 5.399241 
1 1 1   23    6    8 o  476.198   2.6288 1.999420 5.257640 
1 1 1   23    6    9 o  226.432   2.0071 -3.359344 4.014256 
1 1 1   23    6   10 o  153.436   2.6389 8.043945 5.277784 
1 1 1   23    6   11 o  193.921   2.1376 4.298767 4.275107 
1 1 1   23    6   12 o  179.434   2.2838 0.8646088 4.567688 
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1 1 1   23    6   14 o  185.352   2.1981 -1.174789 4.396284 
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1 1 1   23   11   24 o   38.961   7.6831 33.25245 15.36630 
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1 1 1   23   12    9 o  158.397   2.5658 3.876144 5.131651 
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1 1 1   23   12   24 o  100.899   4.4393 14.90533 8.878680 
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1 1 1   23   13   23 o   73.403   5.6400 -5.165138 11.27990 
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1 1 1   23   13   25 o   80.183   5.3793 16.26413 10.75854 
1 1 1   23   13   26 o   54.478   8.4704 3.535995 16.94090 
1 1 1   23   13   27 o   52.469   8.4375 2.497936 16.87495 
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1 1 1   23   15    5 o   51.223   6.3498 -8.656307 12.69964 
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1 1 1   23   15   17 o   90.824   3.5453 -3.552483 7.090516 
1 1 1   23   15   18 o  130.779   2.6128 -3.371994 5.225650 
1 1 1   23   15   19 o   80.521   4.2464 12.34974 8.492783 
1 1 1   23   15   20 o   30.046   8.7509 -5.940044 17.50178 
1 1 1   23   15   21 o   79.775   4.9364 -2.889954 9.872886 
1 1 1   23   15   22 o  104.342   3.9064 3.414986 7.812890 
1 1 1   23   15   23 o   93.861   4.4565 3.219849 8.912941 
1 1 1   23   15   24 o  124.906   3.6012 -6.854820 7.202404 
1 1 1   23   15   25 o   96.157   4.2506 15.57015 8.501187 
1 1 1   23   15   26 o   52.702   7.8829 -4.047874 15.76572 
1 1 1   23   16    0 o  106.330   4.4861 0.000000 0.000000 
1 1 1   23   16    1 o  106.531   3.0011 1.703873 6.002226 
1 1 1   23   16    2 o  165.489   2.3115 -2.883530 4.622912 
1 1 1   23   16    3 o  285.534   1.9415 2.385284 3.883093 
1 1 1   23   16    4 o  165.857   2.1417 4.148483 4.283436 
1 1 1   23   16    5 o  183.224   1.9692 1.656967 3.938367 
1 1 1   23   16    6 o  176.269   2.0427 3.689743 4.085350 
1 1 1   23   16    7 o   67.694   4.5226 -7.773575 9.045245 
1 1 1   23   16    8 o   93.257   3.3069 5.409058 6.613725 
1 1 1   23   16    9 o  138.741   2.3532 -1.655655 4.706354 
1 1 1   23   16   10 o   79.252   3.9161 -3.631279 7.832145 
1 1 1   23   16   11 o   47.268   6.5481 -5.877556 13.09615 
1 1 1   23   16   12 o  151.762   2.2680 0.7160645 4.536093 
1 1 1   23   16   13 o   36.179   7.5773 -9.713789 15.15459 
1 1 1   23   16   14 o  131.137   2.6142 1.004578 5.228496 
1 1 1   23   16   15 f   43.407   10.006 7.214249 20.01192 
1 1 1   23   16   16 o   93.797   3.3999 -2.428986 6.799799 
1 1 1   23   16   17 o   38.472   7.7652 3.238621 15.53036 
1 1 1   23   16   18 o   45.019   7.0341 18.53072 14.06815 
1 1 1   23   16   19 o   33.381   8.0972 -10.02689 16.19442 
1 1 1   23   16   20 o  111.030   3.5525 -2.890785 7.105081 
1 1 1   23   16   21 o   38.315   8.5752 -6.773415 17.15042 
1 1 1   23   16   22 o   91.937   4.4353 2.188896 8.870575 
1 1 1   23   16   23 o   40.853   9.0222 5.659637 18.04443 
1 1 1   23   16   24 o   60.575   7.2651 -4.154884 14.53029 
1 1 1   23   16   25 o   28.593   7.9750 22.30503 15.95000 
1 1 1   23   17    0 o   96.700   4.6036 0.000000 0.000000 
1 1 1   23   17    1 o   69.451   4.4630 9.369713 8.925996 
1 1 1   23   17    2 o  121.216   2.8365 3.934929 5.673017 
1 1 1   23   17    3 o   37.134   7.7340 -3.242889 15.46796 
1 1 1   23   17    4 o  109.937   2.8585 0.7405014 5.717069 
1 1 1   23   17    5 o   98.652   3.1014 1.146347 6.202737 
1 1 1   23   17    6 o  182.230   2.0057 -2.926865 4.011319 
1 1 1   23   17    7 o   52.604   5.9471 14.76654 11.89411 
1 1 1   23   17    8 o   84.688   3.7611 -26.36880 7.522260 
1 1 1   23   17    9 o  114.487   2.7831 -2.552109 5.566141 
1 1 1   23   17   10 o   66.713   4.6322 2.287094 9.264309 
1 1 1   23   17   11 o   88.534   3.5538 -19.32365 7.107509 
1 1 1   23   17   12 o  127.081   2.5279 3.176125 5.055876 
1 1 1   23   17   13 o  202.647   1.9593 -5.424561 3.918669 
1 1 1   23   17   14 o  109.050   2.9662 -4.417725 5.932324 
1 1 1   23   17   15 o  114.026   2.8716 0.1574707E-01 5.743122 
1 1 1   23   17   16 o   52.406   6.2345 19.90974 12.46894 
1 1 1   23   17   17 o   40.794   7.6045 3.157604 15.20893 
1 1 1   23   17   18 o   51.454   6.2028 5.899445 12.40559 
1 1 1   23   17   19 f  110.713   3.4420 -2.219788 6.883915 
1 1 1   23   17   20 o   91.361   4.1822 3.227951 8.364355 
1 1 1   23   17   21 o   52.179   7.5457 -21.87457 15.09149 
1 1 1   23   17   22 o   56.528   7.3222 1.681675 14.64431 
1 1 1   23   17   23 o   35.327   9.2288 7.664345 18.45754 
1 1 1   23   17   24 o   86.236   4.6864 8.373009 9.372782 
1 1 1   23   17   25 x  ?   ?       ?      ? 
1 1 1   23   18    0 o   21.709   9.6198 0.000000 0.000000 
1 1 1   23   18    1 o   69.516   4.9580 -1.630905 9.915979 
1 1 1   23   18    2 o  140.253   2.3413 -3.628098 4.682559 
1 1 1   23   18    3 f  147.214   2.2334 1.420700 4.466758 
1 1 1   23   18    4 o  231.028   1.8623 -1.092545 3.724663 
1 1 1   23   18    5 o   62.740   4.8578 11.22584 9.715605 
1 1 1   23   18    6 o  132.992   2.4203 -7.585205 4.840628 
1 1 1   23   18    7 o   96.065   3.2851 3.763138 6.570267 
1 1 1   23   18    8 o  184.794   1.9891 3.889374 3.978284 
1 1 1   23   18    9 o   85.846   3.5655 -12.58856 7.130921 
1 1 1   23   18   10 o  119.262   2.6573 -2.456924 5.314563 
1 1 1   23   18   11 o  144.990   2.2816 -1.671417 4.563190 
1 1 1   23   18   12 o  120.562   2.7529 22.64095 5.505720 
1 1 1   23   18   13 o   18.920   6.2444 -3.007370 12.48877 
1 1 1   23   18   14 o  119.817   2.6105 -0.8422012 5.220994 
1 1 1   23   18   15 o   81.970   3.8290 1.994041 7.657939 
1 1 1   23   18   16 o   62.218   5.0479 -5.315182 10.09588 
1 1 1   23   18   17 o   91.608   3.5153 -2.634468 7.030682 
1 1 1   23   18   18 o   93.434   4.0279 -6.174744 8.055881 
1 1 1   23   18   19 o  157.130   2.6159 1.823303 5.231829 
1 1 1   23   18   20 f  100.808   3.9467 -10.24622 7.893449 
1 1 1   23   18   21 o   73.458   5.2381 13.87875 10.47612 
1 1 1   23   18   22 o   42.930   8.3494 -3.686317 16.69877 
1 1 1   23   18   23 o   21.771   7.2305 5.466074 14.46097 
1 1 1   23   18   24 o   65.192   6.9411 -18.07930 13.88225 
1 1 1   23   19    0 o  159.190   3.6674 0.000000 0.000000 
1 1 1   23   19    1 o  195.016   2.0870 1.338211 4.174062 
1 1 1   23   19    2 o  153.806   2.2177 0.2748260 4.435349 
1 1 1   23   19    3 o  113.132   2.9358 -12.56234 5.871504 
1 1 1   23   19    4 o  115.156   2.7665 -8.521835 5.532944 
1 1 1   23   19    5 o  194.227   1.9461 2.859268 3.892281 
1 1 1   23   19    6 o  189.375   1.9701 2.533371 3.940192 
1 1 1   23   19    7 o  138.947   2.3540 2.375549 4.707992 
1 1 1   23   19    8 o  118.947   2.6249 3.682541 5.249857 
1 1 1   23   19    9 o   27.211   7.2654 -11.60632 14.53071 
1 1 1   23   19   10 o   97.255   3.2022 11.93408 6.404360 
1 1 1   23   19   11 o  124.716   2.5913 -4.163116 5.182548 
1 1 1   23   19   12 o  136.598   2.3510 5.112793 4.702017 
1 1 1   23   19   13 o   71.658   4.1177 -1.727501 8.235306 
1 1 1   23   19   14 o   89.746   3.3336 -2.964119 6.667222 
1 1 1   23   19   15 o   40.603   7.2607 5.899742 14.52144 
1 1 1   23   19   16 o  118.753   3.0497 -10.22912 6.099336 
1 1 1   23   19   17 o   75.974   5.0415 -8.731926 10.08308 
1 1 1   23   19   18 o   76.402   4.9768 -11.00010 9.953609 
1 1 1   23   19   19 o  108.361   3.5903 -0.7330017 7.180556 
1 1 1   23   19   20 o   26.260   7.9027 0.3249626 15.80550 
1 1 1   23   19   21 o   55.405   7.3068 -14.11115 14.61360 
1 1 1   23   19   22 o   31.428   8.6345 10.43563 17.26901 
1 1 1   23   19   23 o   64.226   6.1479 8.247757 12.29570 
1 1 1   23   20    0 o   17.906   8.5427 0.000000 0.000000 
1 1 1   23   20    1 o   80.820   3.8703 -9.847313 7.740606 
1 1 1   23   20    2 o  244.483   1.8793 3.790176 3.758621 
1 1 1   23   20    3 o  108.156   2.9318 1.221970 5.863540 
1 1 1   23   20    4 o  213.082   1.9109 -3.179657 3.821862 
1 1 1   23   20    5 o   80.451   3.8128 -4.010544 7.625697 
1 1 1   23   20    6 o  135.805   2.4209 3.315170 4.841868 
1 1 1   23   20    7 o  206.542   1.9496 0.8867950 3.899237 
1 1 1   23   20    8 o  173.406   2.1954 8.549911 4.390809 
1 1 1   23   20    9 o  165.588   2.1077 0.2713776 4.215397 
1 1 1   23   20   10 o  166.671   2.1159 3.397156 4.231795 
1 1 1   23   20   11 o   65.128   4.6424 -14.86026 9.284879 
1 1 1   23   20   12 o   71.718   4.1886 -6.736458 8.377215 
1 1 1   23   20   13 o  142.601   2.2361 1.532288 4.472261 
1 1 1   23   20   14 o   92.802   3.1864 -1.829010 6.372846 
1 1 1   23   20   15 o   26.200   7.3288 -3.170124 14.65760 
1 1 1   23   20   16 o   63.077   5.7332 1.263309 11.46639 
1 1 1   23   20   17 f   21.426   6.9945 1.993227 13.98904 
1 1 1   23   20   18 o  106.553   3.7989 -19.64960 7.597801 
1 1 1   23   20   19 o   86.254   4.3734 6.735382 8.746717 
1 1 1   23   20   20 o   43.849   8.3553 -0.8161125 16.71061 
1 1 1   23   20   21 o   71.617   5.5570 2.884766 11.11410 
1 1 1   23   20   22 o   31.559   8.4175 21.71644 16.83502 
1 1 1   23   21    0 o  247.793   2.6710 0.000000 0.000000 
1 1 1   23   21    1 o  130.552   2.9171 -10.96032 5.834136 
1 1 1   23   21    2 o  108.276   3.0163 11.70967 6.032696 
1 1 1   23   21    3 o  285.122   1.9635 0.8161011 3.927056 
1 1 1   23   21    4 o  125.028   3.4548 16.21258 6.909691 
1 1 1   23   21    5 o  175.047   2.1825 2.168472 4.364930 
1 1 1   23   21    6 o   22.474   7.0860 -8.384546 14.17206 
1 1 1   23   21    7 x  ?   ?       ?      ? 
1 1 1   23   21    8 o   15.745   5.4660 0.3108206 10.93201 
1 1 1   23   21    9 o   82.514   3.7036 2.051514 7.407226 
1 1 1   23   21   10 o  173.350   2.0723 5.365982 4.144534 
1 1 1   23   21   11 o   96.842   3.0915 -9.172974 6.183006 
1 1 1   23   21   12 o  115.440   2.8260 1.141899 5.652095 
1 1 1   23   21   13 o   26.725   7.1750 -9.060665 14.34992 
1 1 1   23   21   14 o   57.483   5.0262 16.92126 10.05234 
1 1 1   23   21   15 o   77.859   4.5251 0.8567734 9.050136 
1 1 1   23   21   16 o   62.898   5.7313 4.917816 11.46262 
1 1 1   23   21   17 o   76.326   4.8480 19.75862 9.696058 
1 1 1   23   21   18 o   59.786   6.9038 -18.81388 13.80769 
1 1 1   23   21   19 o   51.964   7.5550 -19.00120 15.11007 
1 1 1   23   21   20 o   92.626   4.4440 -8.205971 8.888072 
1 1 1   23   21   21 o   79.906   5.5452 3.355820 11.09039 
1 1 1   23   22    0 o  119.147   3.9697 0.000000 0.000000 
1 1 1   23   22    1 o  189.928   1.9812 -2.729477 3.962372 
1 1 1   23   22    2 o   44.482   7.0626 13.49019 14.12512 
1 1 1   23   22    3 o  170.906   2.1029 2.672546 4.205716 
1 1 1   23   22    4 o  132.945   2.4606 2.940964 4.921218 
1 1 1   23   22    5 o   91.968   3.4303 5.276344 6.860591 
1 1 1   23   22    6 o  120.633   2.6317 0.1274109 5.263494 
1 1 1   23   22    7 o   89.471   3.4273 -11.68353 6.854694 
1 1 1   23   22    8 o  129.007   2.4558 -0.7054443 4.911699 
1 1 1   23   22    9 o   74.989   4.0431 6.995399 8.086265 
1 1 1   23   22   10 o   56.420   5.3310 0.4379578 10.66198 
1 1 1   23   22   11 o   28.711   7.6295 0.3080883 15.25905 
1 1 1   23   22   12 o   20.804   6.6367 -0.1910686 13.27348 
1 1 1   23   22   13 o   36.127   7.1939 14.21337 14.38770 
1 1 1   23   22   14 o   64.837   5.5643 2.807178 11.12855 
1 1 1   23   22   15 o   77.674   4.7616 -10.60876 9.523180 
1 1 1   23   22   16 o   90.436   3.9080 6.646309 7.815906 
1 1 1   23   22   17 o   40.704   8.2904 4.479404 16.58076 
1 1 1   23   22   18 o   27.100   7.9765 3.525177 15.95299 
1 1 1   23   22   19 o   39.794   8.4255 21.68759 16.85091 
1 1 1   23   22   20 o   38.829   8.1429 -18.12721 16.28575 
1 1 1   23   23    0 o   70.854   10.332 0.000000 0.000000 
1 1 1   23   23    1 o  130.609   2.4880 -4.408600 4.975994 
1 1 1   23   23    2 o  122.404   2.9381 -6.122559 5.876158 
1 1 1   23   23    3 o   29.407   7.5357 9.576784 15.07131 
1 1 1   23   23    4 f  101.314   3.1817 5.458900 6.363452 
1 1 1   23   23    5 o  134.447   2.4827 -0.5920105 4.965349 
1 1 1   23   23    6 o   95.536   3.2594 2.973831 6.518775 
1 1 1   23   23    7 o   30.463   7.6447 12.37165 15.28945 
1 1 1   23   23    8 o   17.696   5.9849 -1.431753 11.96987 
1 1 1   23   23    9 o   31.544   8.2548 -10.88199 16.50962 
1 1 1   23   23   10 o  101.682   3.0684 -1.055916 6.136863 
1 1 1   23   23   11 o   56.862   6.3524 8.571629 12.70473 
1 1 1   23   23   12 o   41.180   9.2655 1.950096 18.53105 
1 1 1   23   23   13 o  147.080   3.2178 8.524109 6.435675 
1 1 1   23   23   14 o   93.339   4.7366 -2.035072 9.473123 
1 1 1   23   23   15 o   24.730   7.9588 -2.623392 15.91760 
1 1 1   23   23   16 o   64.316   6.7766 0.8498421 13.55319 
1 1 1   23   23   17 o   43.423   8.9525 -16.48000 17.90504 
1 1 1   23   23   18 o   92.961   4.8920 6.872528 9.783918 
1 1 1   23   23   19 o   56.711   8.3661 1.714481 16.73220 
1 1 1   23   24    0 o   91.696   5.2064 0.000000 0.000000 
1 1 1   23   24    1 o   58.423   5.4572 0.4333153 10.91449 
1 1 1   23   24    2 f  127.859   2.9008 1.131256 5.801573 
1 1 1   23   24    3 f   80.996   4.0926 21.96644 8.185200 
1 1 1   23   24    4 o  130.329   2.6053 -3.393448 5.210651 
1 1 1   23   24    5 o  120.538   2.6878 -3.603973 5.375648 
1 1 1   23   24    6 o   46.032   8.5772 -6.350899 17.15434 
1 1 1   23   24    7 o   20.409   6.6634 -3.955336 13.32683 
1 1 1   23   24    8 o  134.802   2.4420 2.873505 4.884055 
1 1 1   23   24    9 o  208.036   1.9565 -0.3167725 3.912970 
1 1 1   23   24   10 o   52.976   7.9732 -22.79447 15.94648 
1 1 1   23   24   11 o  119.723   3.6656 0.7577515E-01 7.331175 
1 1 1   23   24   12 o   85.714   5.1724 -7.784988 10.34490 
1 1 1   23   24   13 o   41.964   8.9031 20.03418 17.80615 
1 1 1   23   24   14 o   93.164   4.8237 15.39745 9.647306 
1 1 1   23   24   15 o   32.154   8.1519 -24.80831 16.30378 
1 1 1   23   24   16 o   35.353   9.2571 -7.239246 18.51417 
1 1 1   23   24   17 o   42.344   8.9684 16.91312 17.93685 
1 1 1   23   25    0 o   40.745   10.785 0.000000 0.000000 
1 1 1   23   25    1 o  122.591   2.7468 0.6269913 5.493680 
1 1 1   23   25    2 o   20.825   6.8403 -0.3173618 13.68065 
1 1 1   23   25    3 o  110.070   3.0082 -4.447472 6.016441 
1 1 1   23   25    4 o  107.799   3.0892 -0.3434677 6.178386 
1 1 1   23   25    5 o   17.465   5.9706 -4.471803 11.94114 
1 1 1   23   25    6 o   17.654   6.0133 -2.988161 12.02662 
1 1 1   23   25    7 o   54.039   6.0285 7.315811 12.05706 
1 1 1   23   25    8 o   71.828   4.2625 -4.207230 8.524973 
1 1 1   23   25    9 o   96.375   4.4873 -5.538879 8.974664 
1 1 1   23   25   10 o   34.056   9.0317 5.959202 18.06335 
1 1 1   23   25   11 o   63.576   6.7405 4.762630 13.48110 
1 1 1   23   25   12 o   66.921   6.4739 0.1508331E-01 12.94779 
1 1 1   23   25   13 o   72.355   6.0818 5.809486 12.16357 
1 1 1   23   25   14 o   45.220   8.7930 -21.72319 17.58607 
1 1 1   23   25   15 o   37.715   9.1650 -19.68732 18.33007 
1 1 1   23   25   16 o   61.781   7.9807 34.83108 15.96139 
1 1 1   23   26    0 o   14.013   7.1721 0.000000 0.000000 
1 1 1   23   26    1 o   28.639   7.8781 4.905382 15.75620 
1 1 1   23   26    2 o   31.122   8.3485 -7.251791 16.69695 
1 1 1   23   26    3 o   93.042   3.5918 -6.499611 7.183573 
1 1 1   23   26    4 o   69.679   4.7244 2.856117 9.448831 
1 1 1   23   26    5 o   71.610   4.7654 21.77968 9.530870 
1 1 1   23   26    6 o  100.964   3.3457 5.672081 6.691472 
1 1 1   23   26    7 o  106.190   3.1262 8.595108 6.252497 
1 1 1   23   26    8 f   19.352   6.6600 8.158148 13.32009 
1 1 1   23   26    9 o   68.621   6.3315 2.416695 12.66297 
1 1 1   23   26   10 o   21.131   7.1264 -0.6497173 14.25274 
1 1 1   23   26   11 o  122.338   3.6534 -9.628624 7.306870 
1 1 1   23   26   12 o   77.524   5.7189 4.407898 11.43777 
1 1 1   23   26   13 o   20.411   6.9958 -5.074959 13.99161 
1 1 1   23   26   14 o   55.124   7.6497 -49.03590 15.29940 
1 1 1   23   27    0 o   87.882   5.7914 0.000000 0.000000 
1 1 1   23   27    1 o   32.549   8.0917 9.112453 16.18344 
1 1 1   23   27    2 o   27.774   8.1773 -4.089802 16.35460 
1 1 1   23   27    3 o   83.859   4.0828 7.113190 8.165700 
1 1 1   23   27    4 o   20.734   6.7550 1.428362 13.51008 
1 1 1   23   27    5 o   37.942   7.4644 19.77118 14.92880 
1 1 1   23   27    6 o   27.301   7.5652 -14.60256 15.13046 
1 1 1   23   27    7 o   72.323   4.4821 14.28251 8.964255 
1 1 1   23   27    8 o  104.070   4.3398 -6.705551 8.679660 
1 1 1   23   27    9 o   64.090   6.8649 3.501400 13.72976 
1 1 1   23   27   10 o   24.430   7.8291 7.967937 15.65826 
1 1 1   23   27   11 o   22.194   7.4790 -6.067165 14.95804 
1 1 1   23   27   12 o   39.136   10.326 5.418697 20.65230 
1 1 1   23   28    0 o   63.825   8.9922 0.000000 0.000000 
1 1 1   23   28    1 o   35.113   7.9336 16.13289 15.86730 
1 1 1   23   28    2 o   35.229   8.6147 -12.17606 17.22932 
1 1 1   23   28    3 o   40.376   7.4507 -25.87918 14.90149 
1 1 1   23   28    4 o   64.028   5.6746 5.219242 11.34930 
1 1 1   23   28    5 o   58.298   6.4981 18.75462 12.99619 
1 1 1   23   28    6 o   27.160   7.7888 4.036352 15.57753 
1 1 1   23   28    7 o   25.888   8.2310 0.6389236E-01 16.46192 
1 1 1   23   28    8 o   72.375   6.3057 -2.847588 12.61132 
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1 1 1   23   28   10 o   36.919   10.307 1.672424 20.61304 
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1 1 1   23   29    6 x  ?   ?       ?      ? 
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1 1 1   24    8   24 o   36.046   8.6721 -12.55540 17.34411 
1 1 1   24    8   25 o  156.657   3.0108 0.9250488 6.021520 
1 1 1   24    8   26 o   48.963   7.7266 -37.10380 15.45321 
1 1 1   24    8   27 o   54.030   7.9017 -4.769165 15.80346 
1 1 1   24    8   28 o   58.449   7.3636 4.947338 14.72713 
1 1 1   24    9    0 o  187.095   2.8839 0.000000 0.000000 
1 1 1   24    9    1 o  215.253   1.9120 2.363342 3.824070 
1 1 1   24    9    2 o   44.547   7.2957 1.178040 14.59147 
1 1 1   24    9    3 o  121.245   2.7834 2.157875 5.566832 
1 1 1   24    9    4 o   89.757   3.7336 -6.158485 7.467269 
1 1 1   24    9    5 o  244.292   1.9079 -0.1159515 3.815713 
1 1 1   24    9    6 o  156.118   2.2913 6.575500 4.582660 
1 1 1   24    9    7 o  165.566   2.2359 3.176834 4.471858 
1 1 1   24    9    8 o   91.999   3.7110 3.155434 7.421991 
1 1 1   24    9    9 o   71.261   4.7191 0.5518341E-01 9.438257 
1 1 1   24    9   10 f  199.072   2.0340 6.161911 4.068036 
1 1 1   24    9   11 o   75.299   4.5384 0.4603958 9.076879 
1 1 1   24    9   12 o  384.851   2.2707 1.561676 4.541310 
1 1 1   24    9   13 o  105.978   3.2669 2.181396 6.533899 
1 1 1   24    9   14 o  127.637   2.6913 -7.939545 5.382624 
1 1 1   24    9   15 f   72.279   4.6739 2.273460 9.347699 
1 1 1   24    9   16 o  206.532   2.0243 -2.662384 4.048537 
1 1 1   24    9   17 o  148.079   2.4901 -2.518143 4.980299 
1 1 1   24    9   18 o   26.002   7.6626 -8.311407 15.32513 
1 1 1   24    9   19 o  131.601   2.8619 -4.716614 5.723805 
1 1 1   24    9   20 o   82.804   4.3429 0.8725281 8.685873 
1 1 1   24    9   21 o   70.214   5.0687 5.807083 10.13739 
1 1 1   24    9   22 o   19.455   6.5703 2.475721 13.14068 
1 1 1   24    9   23 o  140.441   2.8917 -6.761780 5.783407 
1 1 1   24    9   24 o  117.604   3.4856 10.08192 6.971134 
1 1 1   24    9   25 o  115.880   3.9138 -7.218361 7.827565 
1 1 1   24    9   26 f  161.283   3.0627 0.3098907 6.125456 
1 1 1   24    9   27 f   70.868   6.0298 -1.705208 12.05958 
1 1 1   24    9   28 x  ?   ?       ?      ? 
1 1 1   24   10    0 o  166.694   3.1043 0.000000 0.000000 
1 1 1   24   10    1 o   21.767   6.9107 -5.125340 13.82142 
1 1 1   24   10    2 o   44.980   7.2122 -3.631569 14.42442 
1 1 1   24   10    3 o   42.069   7.4502 -12.83589 14.90038 
1 1 1   24   10    4 o   87.704   4.1307 -2.776085 8.261352 
1 1 1   24   10    5 o   38.910   8.0005 -1.784534 16.00098 
1 1 1   24   10    6 f   97.926   3.4093 -0.6372147 6.818535 
1 1 1   24   10    7 o   47.313   7.1745 -5.021412 14.34899 
1 1 1   24   10    8 o  107.779   3.1012 -12.08129 6.202470 
1 1 1   24   10    9 o  171.025   2.2183 -0.7302704 4.436560 
1 1 1   24   10   10 o  181.335   2.0969 0.5078430 4.193779 
1 1 1   24   10   11 o  184.348   2.0962 -0.7600250 4.192387 
1 1 1   24   10   12 o  196.154   2.0483 -3.218307 4.096555 
1 1 1   24   10   13 o   86.138   3.8780 10.28119 7.756094 
1 1 1   24   10   14 o   31.401   8.1999 -4.703539 16.39986 
1 1 1   24   10   15 o  110.392   3.1008 -2.943008 6.201530 
1 1 1   24   10   16 o   98.059   3.4493 -4.016876 6.898587 
1 1 1   24   10   17 o   28.390   8.2968 7.762545 16.59366 
1 1 1   24   10   18 o  192.426   2.4146 19.80112 4.829206 
1 1 1   24   10   19 o  246.699   2.0273 -0.5106812 4.054586 
1 1 1   24   10   20 o  124.282   2.9458 -11.11935 5.891649 
1 1 1   24   10   21 o   34.034   8.4201 -7.765732 16.84017 
1 1 1   24   10   22 o   93.256   4.0147 -5.409134 8.029475 
1 1 1   24   10   23 o  113.104   3.4421 2.104683 6.884288 
1 1 1   24   10   24 o  178.060   2.7258 -10.60168 5.451530 
1 1 1   24   10   25 o   32.040   8.9405 11.18805 17.88096 
1 1 1   24   10   26 o   92.430   4.7563 10.19945 9.512637 
1 1 1   24   10   27 o   39.774   8.7973 25.40133 17.59468 
1 1 1   24   11    0 o   15.382   7.7136 0.000000 0.000000 
1 1 1   24   11    1 o   70.028   4.6274 11.00001 9.254764 
1 1 1   24   11    2 o   63.120   5.0867 1.424259 10.17343 
1 1 1   24   11    3 o   19.031   6.3627 0.5905914E-01 12.72545 
1 1 1   24   11    4 o   42.156   7.0782 -22.55568 14.15639 
1 1 1   24   11    5 o   56.605   5.5594 -0.8796310 11.11888 
1 1 1   24   11    6 o  207.111   1.9697 -0.8679047 3.939469 
1 1 1   24   11    7 o  196.268   2.2658 0.4920044 4.531531 
1 1 1   24   11    8 o   95.457   3.4430 1.947296 6.886019 
1 1 1   24   11    9 o  112.876   3.0164 -5.605316 6.032756 
1 1 1   24   11   10 o  272.685   1.9451 0.4660950 3.890277 
1 1 1   24   11   11 o  165.000   2.2115 2.470886 4.422956 
1 1 1   24   11   12 o   40.209   7.6357 11.72175 15.27149 
1 1 1   24   11   13 o   91.319   4.0081 -0.9580994 8.016186 
1 1 1   24   11   14 o   92.755   3.9519 -1.465706 7.903749 
1 1 1   24   11   15 f  175.553   2.1748 -1.508591 4.349667 
1 1 1   24   11   16 o  121.599   3.0311 -4.428749 6.062194 
1 1 1   24   11   17 o  255.635   2.0114 -5.377350 4.022730 
1 1 1   24   11   18 o  187.828   2.1846 1.861649 4.369276 
1 1 1   24   11   19 o  183.261   2.2296 -1.751663 4.459134 
1 1 1   24   11   20 o   44.477   7.8070 4.603691 15.61404 
1 1 1   24   11   21 o   91.365   4.0230 8.434280 8.045965 
1 1 1   24   11   22 o   28.201   8.1471 -1.915436 16.29414 
1 1 1   24   11   23 o  127.682   3.7629 -5.760674 7.525729 
1 1 1   24   11   24 o   20.134   6.8853 2.532326 13.77052 
1 1 1   24   11   25 o   33.440   9.1221 -0.5596886 18.24423 
1 1 1   24   11   26 o   32.662   8.1861 -15.58116 16.37226 
1 1 1   24   11   27 o   33.396   9.1750 10.18110 18.35010 
1 1 1   24   12    0 o   88.547   5.3373 0.000000 0.000000 
1 1 1   24   12    1 o  109.483   3.0590 7.907982 6.117976 
1 1 1   24   12    2 o  225.783   1.9127 -3.475769 3.825436 
1 1 1   24   12    3 o  113.763   2.8692 1.626060 5.738305 
1 1 1   24   12    4 o   29.538   7.8540 -1.926428 15.70790 
1 1 1   24   12    5 o  181.490   2.3128 4.883835 4.625611 
1 1 1   24   12    6 o  216.667   1.9073 -0.7027893 3.814604 
1 1 1   24   12    7 o   75.732   4.3102 -0.4971161 8.620326 
1 1 1   24   12    8 o   28.398   7.7856 0.6125069 15.57113 
1 1 1   24   12    9 o  162.902   2.1552 2.354553 4.310396 
1 1 1   24   12   10 o   49.596   6.6066 3.802452 13.21310 
1 1 1   24   12   11 o  209.257   1.9744 0.1654053E-01 3.948736 
1 1 1   24   12   12 o  157.740   2.2326 -1.485443 4.465147 
1 1 1   24   12   13 o  173.132   2.1398 -7.503662 4.279614 
1 1 1   24   12   14 o   41.414   7.5418 -7.418510 15.08356 
1 1 1   24   12   15 o   70.899   4.6040 -8.948891 9.208068 
1 1 1   24   12   16 o   17.686   6.0885 -0.6550312 12.17697 
1 1 1   24   12   17 o   87.193   4.1203 -16.36343 8.240643 
1 1 1   24   12   18 o  190.745   2.1617 -5.471725 4.323487 
1 1 1   24   12   19 o   73.347   4.8336 13.32223 9.667141 
1 1 1   24   12   20 o   94.566   3.7683 -10.94947 7.536604 
1 1 1   24   12   21 o   72.092   5.1494 -17.79842 10.29876 
1 1 1   24   12   22 o   57.082   6.5063 6.295605 13.01251 
1 1 1   24   12   23 o   40.927   8.2560 30.44731 16.51208 
1 1 1   24   12   24 f   81.857   5.2697 11.90272 10.53937 
1 1 1   24   12   25 o   27.857   8.5557 -2.635059 17.11148 
1 1 1   24   12   26 o   19.395   6.7736 8.572776 13.54713 
1 1 1   24   13    0 o  138.897   3.4559 0.000000 0.000000 
1 1 1   24   13    1 o  125.983   2.6703 -2.643845 5.340697 
1 1 1   24   13    2 o  451.507   2.5130 1.859924 5.025971 
1 1 1   24   13    3 o  178.085   2.0933 2.964127 4.186508 
1 1 1   24   13    4 o  144.650   2.3969 -4.193802 4.793896 
1 1 1   24   13    5 o  343.642   2.0860 -1.728027 4.171950 
1 1 1   24   13    6 o   49.683   6.4674 -5.356541 12.93473 
1 1 1   24   13    7 o  175.402   2.0499 1.586166 4.099715 
1 1 1   24   13    8 o   32.056   7.6848 -10.53775 15.36968 
1 1 1   24   13    9 o   16.509   5.6911 -4.410238 11.38230 
1 1 1   24   13   10 o  200.776   2.0536 3.529602 4.107114 
1 1 1   24   13   11 o  179.645   2.1261 -3.903488 4.252241 
1 1 1   24   13   12 o  146.576   2.3308 6.850677 4.661510 
1 1 1   24   13   13 o   81.765   3.9908 -1.942375 7.981638 
1 1 1   24   13   14 o  106.325   3.1112 -8.381912 6.222314 
1 1 1   24   13   15 o   48.583   6.8448 -37.63989 13.68962 
1 1 1   24   13   16 o   85.201   5.8153 9.095566 11.63053 
1 1 1   24   13   17 f   92.549   3.7051 -8.069298 7.410189 
1 1 1   24   13   18 o   47.385   7.2764 -11.46723 14.55289 
1 1 1   24   13   19 o   66.350   5.2052 0.1156616E-01 10.41041 
1 1 1   24   13   20 o  150.441   2.5590 -3.098770 5.117955 
1 1 1   24   13   21 o  132.561   3.0368 1.121201 6.073526 
1 1 1   24   13   22 o   52.655   7.8914 -10.22745 15.78277 
1 1 1   24   13   23 o   94.525   4.4853 4.528221 8.970692 
1 1 1   24   13   24 o  101.897   4.4776 -14.20042 8.955256 
1 1 1   24   13   25 o   42.350   8.8972 -6.490452 17.79439 
1 1 1   24   13   26 o   62.827   6.8668 -8.101402 13.73355 
1 1 1   24   14    0 f   83.070   5.5149 0.000000 0.000000 
1 1 1   24   14    1 o  195.094   1.9662 9.387878 3.932381 
1 1 1   24   14    2 o  115.705   3.1053 -8.046829 6.210564 
1 1 1   24   14    3 o  367.527   2.1621 -3.535492 4.324289 
1 1 1   24   14    4 o  243.968   1.8703 -3.567566 3.740678 
1 1 1   24   14    5 o  109.303   2.9114 3.081818 5.822891 
1 1 1   24   14    6 o  118.152   2.7447 -0.7254715 5.489315 
1 1 1   24   14    7 o   24.421   7.4759 -8.296753 14.95177 
1 1 1   24   14    8 o   18.372   6.1710 2.592625 12.34201 
1 1 1   24   14    9 o   31.582   7.6160 -12.51885 15.23199 
1 1 1   24   14   10 o  271.597   1.9161 0.8753357 3.832286 
1 1 1   24   14   11 o   34.359   7.2086 -20.51444 14.41724 
1 1 1   24   14   12 o   88.383   3.5757 -15.94635 7.151321 
1 1 1   24   14   13 o   61.835   4.9963 1.827209 9.992661 
1 1 1   24   14   14 o   80.946   3.9140 -5.129211 7.828023 
1 1 1   24   14   15 o   91.642   4.9563 41.38686 9.912699 
1 1 1   24   14   16 f   85.718   4.4806 -23.50330 8.961239 
1 1 1   24   14   17 o   98.799   3.4518 -0.5564117E-01 6.903652 
1 1 1   24   14   18 o  147.654   2.4726 -1.527786 4.945105 
1 1 1   24   14   19 o   27.118   7.6889 11.21219 15.37788 
1 1 1   24   14   20 o   93.884   4.2259 -0.2853317 8.451802 
1 1 1   24   14   21 o   66.417   5.6922 -16.77100 11.38435 
1 1 1   24   14   22 o  136.726   3.1859 6.701141 6.371722 
1 1 1   24   14   23 o   94.429   4.7019 1.341293 9.403858 
1 1 1   24   14   24 o   20.021   6.8799 5.818687 13.75982 
1 1 1   24   14   25 o   44.592   8.6613 8.799706 17.32253 
1 1 1   24   15    0 o   15.260   7.6137 0.000000 0.000000 
1 1 1   24   15    1 o  154.596   2.2128 -0.6195831 4.425681 
1 1 1   24   15    2 o   72.530   5.5514 -2.199326 11.10278 
1 1 1   24   15    3 o  253.867   1.8756 0.4793091 3.751283 
1 1 1   24   15    4 o  203.029   1.9085 -9.367783 3.817075 
1 1 1   24   15    5 o   95.691   3.2741 -8.015434 6.548187 
1 1 1   24   15    6 o  221.686   1.8769 2.030869 3.753867 
1 1 1   24   15    7 o   66.617   4.6044 -8.469284 9.208822 
1 1 1   24   15    8 o  313.978   1.9909 5.461304 3.981894 
1 1 1   24   15    9 o  342.128   2.0964 0.9743652 4.192804 
1 1 1   24   15   10 o   57.805   5.3368 4.647923 10.67364 
1 1 1   24   15   11 o  247.809   1.8997 1.293457 3.799493 
1 1 1   24   15   12 o   45.920   6.9462 -1.702515 13.89235 
1 1 1   24   15   13 o   30.303   7.7248 -5.700899 15.44955 
1 1 1   24   15   14 o  171.215   2.2146 7.788879 4.429131 
1 1 1   24   15   15 o   99.280   3.2207 -1.480087 6.441433 
1 1 1   24   15   16 o  126.672   2.6602 -8.701660 5.320331 
1 1 1   24   15   17 o  186.458   2.1358 4.811462 4.271568 
1 1 1   24   15   18 o   55.547   7.2354 7.993607 14.47083 
1 1 1   24   15   19 o  105.161   3.4182 -2.090096 6.836461 
1 1 1   24   15   20 o  139.732   2.6852 -11.52505 5.370441 
1 1 1   24   15   21 o   33.315   8.7662 4.804670 17.53237 
1 1 1   24   15   22 o   59.485   6.9165 12.57851 13.83300 
1 1 1   24   15   23 o   55.179   7.5212 19.64228 15.04238 
1 1 1   24   15   24 o   66.450   5.9426 3.196854 11.88529 
1 1 1   24   15   25 o   18.337   6.4070 6.218177 12.81397 
1 1 1   24   16    0 o  206.538   2.7106 0.000000 0.000000 
1 1 1   24   16    1 o  103.644   3.3857 -0.6615219 6.771322 
1 1 1   24   16    2 o  195.340   1.9115 1.653702 3.823013 
1 1 1   24   16    3 o   94.884   3.3059 -7.171379 6.611876 
1 1 1   24   16    4 o   83.145   3.7213 -9.460701 7.442582 
1 1 1   24   16    5 o  163.373   2.1079 -2.897415 4.215862 
1 1 1   24   16    6 o  164.343   2.1092 3.369690 4.218490 
1 1 1   24   16    7 o  151.773   2.1906 -7.223862 4.381289 
1 1 1   24   16    8 o  126.384   2.5664 10.04546 5.132871 
1 1 1   24   16    9 o  123.666   2.5898 -0.3222656E-01 5.179548 
1 1 1   24   16   10 o  169.636   2.0965 -3.591080 4.193084 
1 1 1   24   16   11 o  113.227   2.8602 1.385521 5.720387 
1 1 1   24   16   12 o   41.261   7.4704 2.153408 14.94090 
1 1 1   24   16   13 o  208.025   1.9736 1.012665 3.947165 
1 1 1   24   16   14 o   89.826   3.5760 -10.14285 7.152050 
1 1 1   24   16   15 o   57.556   5.3357 4.694340 10.67131 
1 1 1   24   16   16 o  156.441   2.2947 4.615692 4.589412 
1 1 1   24   16   17 o   49.600   6.7982 -15.44316 13.59633 
1 1 1   24   16   18 o  155.714   2.3565 -3.378250 4.713059 
1 1 1   24   16   19 o   57.225   6.2798 -16.43562 12.55964 
1 1 1   24   16   20 o  129.081   3.6502 -5.906273 7.300344 
1 1 1   24   16   21 o  214.991   2.3682 -5.151657 4.736430 
1 1 1   24   16   22 o   26.605   8.1292 8.894110 16.25850 
1 1 1   24   16   23 o  129.873   3.4242 -0.5403748 6.848376 
1 1 1   24   16   24 o   49.962   8.1647 20.20118 16.32945 
1 1 1   24   17    0 o  186.478   2.7943 0.000000 0.000000 
1 1 1   24   17    1 o  115.483   2.7638 -4.373375 5.527687 
1 1 1   24   17    2 o  142.060   2.2932 1.026871 4.586458 
1 1 1   24   17    3 o   66.851   4.9272 1.326294 9.854426 
1 1 1   24   17    4 o  143.717   2.5017 7.730164 5.003304 
1 1 1   24   17    5 o  211.163   1.8672 0.1736450 3.734359 
1 1 1   24   17    6 o   48.974   6.4003 22.06910 12.80058 
1 1 1   24   17    7 o  101.027   3.0551 -2.053467 6.110148 
1 1 1   24   17    8 f  158.477   2.1386 -3.866379 4.277244 
1 1 1   24   17    9 o  184.405   1.9784 -0.1038818 3.956708 
1 1 1   24   17   10 o  153.214   2.2488 -2.575516 4.497665 
1 1 1   24   17   11 o   94.290   4.0130 12.82374 8.025963 
1 1 1   24   17   12 o  172.402   2.0915 -0.9205017 4.183027 
1 1 1   24   17   13 o   58.169   5.3272 -11.05105 10.65445 
1 1 1   24   17   14 o   28.334   7.7189 2.429985 15.43782 
1 1 1   24   17   15 o  259.359   1.9364 -3.124176 3.872810 
1 1 1   24   17   16 o   17.500   5.9159 -4.279058 11.83190 
1 1 1   24   17   17 f  210.187   2.1937 5.971375 4.387383 
1 1 1   24   17   18 o   28.029   7.7840 -2.052328 15.56791 
1 1 1   24   17   19 o   42.903   8.4116 -4.163624 16.82315 
1 1 1   24   17   20 f  129.638   3.1663 -4.131119 6.332573 
1 1 1   24   17   21 f   39.513   8.7971 3.209724 17.59416 
1 1 1   24   17   22 o   73.865   6.0831 2.179680 12.16613 
1 1 1   24   17   23 o   82.463   5.1133 -11.52889 10.22651 
1 1 1   24   18    0 o  156.578   3.1467 0.000000 0.000000 
1 1 1   24   18    1 o  159.812   2.1417 -3.101471 4.283406 
1 1 1   24   18    2 o   57.719   5.1867 2.251106 10.37343 
1 1 1   24   18    3 o   35.604   7.8968 -10.76989 15.79356 
1 1 1   24   18    4 o   48.102   6.3833 -11.17836 12.76661 
1 1 1   24   18    5 o   99.981   3.0686 8.014175 6.137288 
1 1 1   24   18    6 o  113.447   2.7451 -2.535316 5.490291 
1 1 1   24   18    7 o  213.454   1.9120 4.401230 3.823957 
1 1 1   24   18    8 o  122.914   2.6076 6.618958 5.215270 
1 1 1   24   18    9 o  114.952   2.7290 1.259720 5.457922 
1 1 1   24   18   10 o   95.534   3.2668 7.086685 6.533664 
1 1 1   24   18   11 o   53.010   5.9533 11.25119 11.90663 
1 1 1   24   18   12 o   47.305   6.6082 -16.06757 13.21648 
1 1 1   24   18   13 o  163.327   2.1496 3.967270 4.299102 
1 1 1   24   18   14 o  103.975   3.0987 -3.484612 6.197419 
1 1 1   24   18   15 o   40.392   7.4656 -11.97149 14.93113 
1 1 1   24   18   16 o   61.297   5.1694 -0.3876572 10.33884 
1 1 1   24   18   17 o   41.154   6.5256 -31.75387 13.05129 
1 1 1   24   18   18 o   75.040   4.3198 7.383148 8.639661 
1 1 1   24   18   19 o   85.821   4.4797 -3.824715 8.959492 
1 1 1   24   18   20 o   31.217   8.2961 -6.056847 16.59224 
1 1 1   24   18   21 o   92.338   4.3584 -3.643600 8.716864 
1 1 1   24   18   22 o   87.578   4.6845 -8.452126 9.369100 
1 1 1   24   19    0 o   29.582   11.988 0.000000 0.000000 
1 1 1   24   19    1 o  130.166   2.5061 7.055962 5.012242 
1 1 1   24   19    2 o  153.620   2.2029 -5.539047 4.405782 
1 1 1   24   19    3 o   77.729   3.9511 11.94348 7.902234 
1 1 1   24   19    4 o  151.591   2.2263 -5.744202 4.452600 
1 1 1   24   19    5 o   84.128   3.6832 5.177094 7.366394 
1 1 1   24   19    6 o  174.606   2.0610 7.214539 4.121976 
1 1 1   24   19    7 o   93.675   3.5588 4.220039 7.117636 
1 1 1   24   19    8 o  169.129   2.1096 -5.314133 4.219265 
1 1 1   24   19    9 o   91.531   3.3479 -0.8491135 6.695817 
1 1 1   24   19   10 o   25.107   6.9566 15.06622 13.91324 
1 1 1   24   19   11 o   75.428   4.0353 3.215591 8.070631 
1 1 1   24   19   12 o   46.425   6.7725 -4.370426 13.54499 
1 1 1   24   19   13 o   99.269   3.5913 -2.168922 7.182649 
1 1 1   24   19   14 o   89.483   4.0753 -2.991821 8.150590 
1 1 1   24   19   15 o   55.380   5.4980 -5.573250 10.99607 
1 1 1   24   19   16 o  102.672   3.1553 9.165024 6.310517 
1 1 1   24   19   17 o   79.416   4.1257 -7.763542 8.251345 
1 1 1   24   19   18 o   90.340   4.2579 -1.199097 8.515703 
1 1 1   24   19   19 f   23.558   7.5039 3.274010 15.00780 
1 1 1   24   19   20 o   58.565   6.5058 20.01804 13.01154 
1 1 1   24   19   21 o   42.417   7.7108 -21.41828 15.42158 
1 1 1   24   19   22 o   17.157   6.0857 2.155478 12.17139 
1 1 1   24   20    0 o  113.458   4.0905 0.000000 0.000000 
1 1 1   24   20    1 o   76.186   4.1104 -14.64352 8.220781 
1 1 1   24   20    2 o   43.056   7.9002 9.542194 15.80037 
1 1 1   24   20    3 o  113.427   3.6177 0.3205719 7.235338 
1 1 1   24   20    4 o   67.069   4.9374 15.69695 9.874877 
1 1 1   24   20    5 o  115.504   2.7586 0.5139084 5.517120 
1 1 1   24   20    6 o   88.865   3.4772 -7.874313 6.954393 
1 1 1   24   20    7 o  157.601   2.1630 -0.1034393 4.325933 
1 1 1   24   20    8 o   28.549   7.3592 -13.46368 14.71832 
1 1 1   24   20    9 o   29.873   7.4659 -11.09939 14.93171 
1 1 1   24   20   10 o  135.367   2.4141 1.460098 4.828232 
1 1 1   24   20   11 o  137.036   2.3780 6.889343 4.755942 
1 1 1   24   20   12 o   61.627   4.8848 -5.786831 9.769604 
1 1 1   24   20   13 o   98.303   3.0779 -4.257553 6.155712 
1 1 1   24   20   14 o   23.692   6.9659 -7.905756 13.93182 
1 1 1   24   20   15 o   31.465   7.6912 -2.597389 15.38245 
1 1 1   24   20   16 o   25.501   7.4181 2.990131 14.83621 
1 1 1   24   20   17 f   45.947   8.0431 -5.922173 16.08617 
1 1 1   24   20   18 f   71.426   5.5200 -3.784775 11.03991 
1 1 1   24   20   19 o  134.988   3.1099 -8.317810 6.219818 
1 1 1   24   20   20 o   26.128   8.0490 8.194431 16.09803 
1 1 1   24   20   21 o   90.778   6.2681 1.996689 12.53613 
1 1 1   24   21    0 o   22.241   9.6837 0.000000 0.000000 
1 1 1   24   21    1 o   52.083   6.0989 12.47160 12.19778 
1 1 1   24   21    2 o   31.349   7.8304 -4.700283 15.66084 
1 1 1   24   21    3 f   28.790   7.6765 -3.656321 15.35293 
1 1 1   24   21    4 o   18.661   6.2146 -1.660910 12.42910 
1 1 1   24   21    5 o   88.819   3.4876 -7.027786 6.975258 
1 1 1   24   21    6 o   61.544   5.0495 2.882595 10.09896 
1 1 1   24   21    7 o   60.226   5.1209 -11.07668 10.24172 
1 1 1   24   21    8 o   89.963   3.4827 12.23129 6.965311 
1 1 1   24   21    9 o  170.655   2.0847 -0.9038696 4.169430 
1 1 1   24   21   10 o   71.860   4.2696 -14.99971 8.539182 
1 1 1   24   21   11 o   98.183   3.7843 -1.544876 7.568650 
1 1 1   24   21   12 o   88.593   3.4321 -1.158691 6.864172 
1 1 1   24   21   13 o   77.569   3.9131 -7.651863 7.826239 
1 1 1   24   21   14 o   64.171   4.7472 0.2008514 9.494413 
1 1 1   24   21   15 o   61.682   5.0127 4.469791 10.02548 
1 1 1   24   21   16 o   30.272   8.3168 2.386234 16.63363 
1 1 1   24   21   17 o   86.584   4.4838 -5.995934 8.967533 
1 1 1   24   21   18 o   29.709   8.2986 -1.654991 16.59713 
1 1 1   24   21   19 o   51.879   7.8004 -28.13676 15.60089 
1 1 1   24   21   20 x  ?   ?       ?      ? 
1 1 1   24   22    0 o   50.162   9.6514 0.000000 0.000000 
1 1 1   24   22    1 o   80.625   4.4099 -5.228218 8.819765 
1 1 1   24   22    2 o   65.004   4.8287 2.048801 9.657338 
1 1 1   24   22    3 o  108.744   2.9774 1.678322 5.954893 
1 1 1   24   22    4 o  138.372   2.3925 -1.953171 4.784976 
1 1 1   24   22    5 o  134.753   2.5001 0.5464020 5.000113 
1 1 1   24   22    6 o   24.179   7.2477 -7.420996 14.49542 
1 1 1   24   22    7 o  185.490   2.0099 -2.843048 4.019762 
1 1 1   24   22    8 o   38.119   7.4078 12.03378 14.81568 
1 1 1   24   22    9 o  129.028   2.4949 0.5836792 4.989768 
1 1 1   24   22   10 o  133.955   2.4598 4.608948 4.919651 
1 1 1   24   22   11 o   71.614   4.3553 14.89058 8.710530 
1 1 1   24   22   12 o   80.332   3.9187 -4.970154 7.837364 
1 1 1   24   22   13 o  167.665   2.1658 -0.4485321 4.331509 
1 1 1   24   22   14 o   87.457   3.6147 6.409874 7.229396 
1 1 1   24   22   15 o   64.234   5.8759 -3.401127 11.75175 
1 1 1   24   22   16 o   37.648   8.3523 -1.090908 16.70454 
1 1 1   24   22   17 o   32.032   8.4967 5.951330 16.99333 
1 1 1   24   22   18 o   34.572   8.3358 -8.193480 16.67169 
1 1 1   24   23    0 o   47.144   10.492 0.000000 0.000000 
1 1 1   24   23    1 f   99.096   4.0890 -17.26067 8.178041 
1 1 1   24   23    2 o  111.567   2.9615 7.390739 5.922923 
1 1 1   24   23    3 o  108.218   3.0335 -4.207893 6.067045 
1 1 1   24   23    4 o   65.379   5.1657 -5.211685 10.33141 
1 1 1   24   23    5 o  136.568   2.6651 8.320618 5.330190 
1 1 1   24   23    6 o  129.313   2.9837 -2.222504 5.967411 
1 1 1   24   23    7 o  101.031   3.1221 7.050583 6.244272 
1 1 1   24   23    8 o  136.031   2.4473 1.815720 4.894595 
1 1 1   24   23    9 o  156.480   2.2427 0.9521637 4.485343 
1 1 1   24   23   10 o   47.357   6.7262 -18.76588 13.45235 
1 1 1   24   23   11 o   63.591   5.0068 7.953533 10.01361 
1 1 1   24   23   12 o  149.440   2.2972 2.361008 4.594398 
1 1 1   24   23   13 o  111.160   2.8493 -6.789848 5.698562 
1 1 1   24   23   14 o   94.038   4.3830 -14.30093 8.765983 
1 1 1   24   23   15 o   28.657   8.6788 2.303759 17.35757 
1 1 1   24   23   16 o   38.617   8.9792 19.87251 17.95846 
1 1 1   24   23   17 o   27.065   8.3544 -10.45817 16.70877 
1 1 1   24   24    0 o   92.934   5.0206 0.000000 0.000000 
1 1 1   24   24    1 o   67.170   5.0260 13.74326 10.05203 
1 1 1   24   24    2 o   91.085   3.6326 -10.36315 7.265251 
1 1 1   24   24    3 o   24.426   7.3457 2.035265 14.69148 
1 1 1   24   24    4 o   74.274   4.3955 11.70914 8.791015 
1 1 1   24   24    5 o   52.596   6.3171 -19.12840 12.63428 
1 1 1   24   24    6 o   33.351   7.8329 5.072826 15.66580 
1 1 1   24   24    7 o   60.756   5.1006 -11.71311 10.20113 
1 1 1   24   24    8 o   70.394   4.5512 -1.754456 9.102431 
1 1 1   24   24    9 o   23.814   7.1367 7.741299 14.27342 
1 1 1   24   24   10 o   81.786   3.8492 4.600868 7.698355 
1 1 1   24   24   11 o   47.087   7.9434 -3.443722 15.88681 
1 1 1   24   24   12 o   55.090   7.9296 33.39272 15.85920 
1 1 1   24   24   13 o   79.876   5.7187 5.716034 11.43741 
1 1 1   24   24   14 o   29.614   8.8513 3.891912 17.70264 
1 1 1   24   24   15 o   28.090   8.6988 -3.318001 17.39751 
1 1 1   24   24   16 x  ?   ?       ?      ? 
1 1 1   24   25    0 o   48.582   11.097 0.000000 0.000000 
1 1 1   24   25    1 o   65.182   5.1420 8.229050 10.28406 
1 1 1   24   25    2 o  121.337   2.8259 11.18680 5.651821 
1 1 1   24   25    3 o   58.633   5.5264 10.20186 11.05281 
1 1 1   24   25    4 o   44.212   7.3590 10.99270 14.71797 
1 1 1   24   25    5 o   57.413   5.7063 -11.32207 11.41255 
1 1 1   24   25    6 f  110.549   2.9981 -1.650467 5.996216 
1 1 1   24   25    7 o   78.863   4.1589 9.242615 8.317774 
1 1 1   24   25    8 o   75.173   4.2952 -11.55961 8.590437 
1 1 1   24   25    9 f   59.716   5.2554 1.420650 10.51077 
1 1 1   24   25   10 o   35.265   8.7987 -15.66842 17.59743 
1 1 1   24   25   11 o   77.248   5.8676 -9.952614 11.73518 
1 1 1   24   25   12 o   48.514   9.2217 3.411030 18.44342 
1 1 1   24   25   13 o   37.397   9.4061 12.98225 18.81213 
1 1 1   24   25   14 o   51.271   9.0134 -29.19085 18.02676 
1 1 1   24   26    0 f   73.988   6.7200 0.000000 0.000000 
1 1 1   24   26    1 o  120.028   2.9002 -6.139175 5.800313 
1 1 1   24   26    2 o   28.166   7.4734 -16.20335 14.94674 
1 1 1   24   26    3 o   31.997   7.8833 11.70663 15.76657 
1 1 1   24   26    4 o   60.945   5.5788 10.98402 11.15760 
1 1 1   24   26    5 o   60.371   5.5480 -9.109818 11.09607 
1 1 1   24   26    6 o   41.652   7.2786 22.36029 14.55711 
1 1 1   24   26    7 o   24.385   7.3479 -7.581553 14.69575 
1 1 1   24   26    8 o   34.589   7.9515 -1.289433 15.90303 
1 1 1   24   26    9 o   57.381   8.0083 -15.16893 16.01663 
1 1 1   24   26   10 o  119.075   3.9793 1.645157 7.958691 
1 1 1   24   26   11 o   26.103   8.3795 -5.288626 16.75902 
1 1 1   24   26   12 o  110.528   4.6920 -24.83278 9.384019 
1 1 1   24   27    0 o   53.929   10.724 0.000000 0.000000 
1 1 1   24   27    1 o   18.513   6.2887 -5.203405 12.57738 
1 1 1   24   27    2 o   42.506   7.6608 -17.22901 15.32163 
1 1 1   24   27    3 o   54.059   6.6498 9.305359 13.29952 
1 1 1   24   27    4 o   74.130   4.9501 4.869171 9.900203 
1 1 1   24   27    5 o   90.571   4.0620 2.704094 8.123911 
1 1 1   24   27    6 o   82.539   4.2851 0.7023087 8.570279 
1 1 1   24   27    7 o   26.078   7.5191 8.920338 15.03817 
1 1 1   24   27    8 o   40.207   8.6054 7.766872 17.21088 
1 1 1   24   27    9 o   80.000   6.3286 -13.73156 12.65714 
1 1 1   24   27   10 x  ?   ?       ?      ? 
1 1 1   24   28    0 o   34.286   12.327 0.000000 0.000000 
1 1 1   24   28    1 o   21.785   7.0784 -4.154976 14.15687 
1 1 1   24   28    2 o  121.540   4.9270 -50.57265 9.854007 
1 1 1   24   28    3 o   65.302   5.6661 2.364159 11.33217 
1 1 1   24   28    4 o   60.834   6.5001 13.05782 13.00027 
1 1 1   24   28    5 o  100.797   4.2828 41.71307 8.565668 
1 1 1   24   28    6 o   16.341   5.7700 4.875822 11.53992 
1 1 1   25    0    1 f  106.632   4.4978 0.000000 0.000000 
1 1 1   25    0    2 o  297.066   2.7876 0.000000 0.000000 
1 1 1   25    0    3 o  100.147   4.9081 0.000000 0.000000 
1 1 1   25    0    4 o  430.396   3.4183 0.000000 0.000000 
1 1 1   25    0    5 f  105.803   4.7009 0.000000 0.000000 
1 1 1   25    0    6 o  293.719   2.8032 0.000000 0.000000 
1 1 1   25    0    7 o   97.012   4.9293 0.000000 0.000000 
1 1 1   25    0    8 f  232.568   2.8229 0.000000 0.000000 
1 1 1   25    0    9 o  101.124   4.9939 0.000000 0.000000 
1 1 1   25    0   10 o   64.620   8.3185 0.000000 0.000000 
1 1 1   25    0   11 o  242.598   2.8180 0.000000 0.000000 
1 1 1   25    0   12 o   75.129   6.5340 0.000000 0.000000 
1 1 1   25    0   13 o   65.918   8.6000 0.000000 0.000000 
1 1 1   25    0   14 o  116.338   4.3587 0.000000 0.000000 
1 1 1   25    0   15 o  113.575   4.5637 0.000000 0.000000 
1 1 1   25    0   16 o   17.860   8.6675 0.000000 0.000000 
1 1 1   25    0   17 o  294.253   2.8907 0.000000 0.000000 
1 1 1   25    0   18 o   80.630   6.7001 0.000000 0.000000 
1 1 1   25    0   19 o  224.028   2.9437 0.000000 0.000000 
1 1 1   25    0   20 o  237.401   2.9633 0.000000 0.000000 
1 1 1   25    0   21 o   90.683   6.2699 0.000000 0.000000 
1 1 1   25    0   22 o  202.186   3.2394 0.000000 0.000000 
1 1 1   25    0   23 o   84.904   7.8581 0.000000 0.000000 
1 1 1   25    0   24 o  138.332   4.3209 0.000000 0.000000 
1 1 1   25    0   25 o  138.765   4.3455 0.000000 0.000000 
1 1 1   25    0   26 o   22.976   10.347 0.000000 0.000000 
1 1 1   25    0   27 f  115.165   5.2286 0.000000 0.000000 
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1 1 1   25    1    0 o   58.489   8.6619 0.000000 0.000000 
1 1 1   25    1    1 o  229.667   1.8952 -3.692108 3.790435 
1 1 1   25    1    2 o  185.454   2.5747 -0.5899963 5.149474 
1 1 1   25    1    3 o  226.738   1.9364 1.371857 3.872711 
1 1 1   25    1    4 f  328.664   2.2080 2.523560 4.415941 
1 1 1   25    1    5 o  473.896   2.6108 -2.439484 5.221668 
1 1 1   25    1    6 o  281.166   1.9610 1.727844 3.922076 
1 1 1   25    1    7 o  202.355   1.9904 3.861511 3.980883 
1 1 1   25    1    8 o  164.733   2.2769 5.014206 4.553776 
1 1 1   25    1    9 o   40.952   8.1183 -1.064922 16.23654 
1 1 1   25    1   10 o  313.755   2.0420 -1.979919 4.084015 
1 1 1   25    1   11 o  130.100   2.8378 -3.729538 5.675587 
1 1 1   25    1   12 o  176.904   2.2020 -1.925674 4.404052 
1 1 1   25    1   13 o  153.200   2.5368 3.110687 5.073517 
1 1 1   25    1   14 o   86.097   4.0965 -9.995926 8.193020 
1 1 1   25    1   15 o  185.001   2.1606 -5.449081 4.321157 
1 1 1   25    1   16 o  196.456   2.0842 3.288132 4.168302 
1 1 1   25    1   17 o  143.352   2.6288 -0.8982239 5.257593 
1 1 1   25    1   18 o   87.192   4.1638 4.103310 8.327532 
1 1 1   25    1   19 o  143.784   3.4683 16.61143 6.936697 
1 1 1   25    1   20 o  190.410   2.3147 3.522903 4.629441 
1 1 1   25    1   21 o   29.427   8.1879 10.26731 16.37571 
1 1 1   25    1   22 o   55.852   7.0819 22.25275 14.16385 
1 1 1   25    1   23 o  103.989   3.6461 1.267624 7.292233 
1 1 1   25    1   24 o  119.512   3.3436 0.2924881 6.687239 
1 1 1   25    1   25 o  122.026   3.4878 1.369041 6.975649 
1 1 1   25    1   26 o   22.625   7.4061 1.939442 14.81211 
1 1 1   25    1   27 o   36.634   8.6675 11.29441 17.33500 
1 1 1   25    1   28 o  124.253   3.3991 -3.979584 6.798189 
1 1 1   25    2    0 o  241.483   2.6759 0.000000 0.000000 
1 1 1   25    2    1 o  183.328   2.0455 2.115051 4.090959 
1 1 1   25    2    2 o  277.803   2.0599 0.1275330 4.119800 
1 1 1   25    2    3 o  181.939   2.0466 0.9666443E-01 4.093220 
1 1 1   25    2    4 o  150.505   2.5992 4.049866 5.198303 
1 1 1   25    2    5 o  160.524   2.3326 -1.126938 4.665190 
1 1 1   25    2    6 o  354.752   2.1267 0.4533997 4.253398 
1 1 1   25    2    7 o  151.734   2.3622 -0.1167297 4.724311 
1 1 1   25    2    8 o  137.766   2.5445 -5.141327 5.089076 
1 1 1   25    2    9 o   81.221   4.2589 -9.502434 8.517863 
1 1 1   25    2   10 o  107.047   3.2546 2.428314 6.509266 
1 1 1   25    2   11 f  362.260   2.1911 1.577820 4.382115 
1 1 1   25    2   12 o   25.858   7.7329 0.5184669 15.46575 
1 1 1   25    2   13 o  161.691   2.3672 -2.768875 4.734399 
1 1 1   25    2   14 o  199.936   2.0772 0.5246429 4.154434 
1 1 1   25    2   15 o  317.193   2.0515 -2.288940 4.103007 
1 1 1   25    2   16 o   77.238   4.5802 -14.65543 9.160299 
1 1 1   25    2   17 o   81.114   4.2006 4.594933 8.401108 
1 1 1   25    2   18 o   73.867   4.9614 -7.174866 9.922874 
1 1 1   25    2   19 o  176.166   2.6785 -7.207016 5.357066 
1 1 1   25    2   20 o  186.033   2.3222 -4.463959 4.644343 
1 1 1   25    2   21 o  183.541   2.3253 -2.256729 4.650540 
1 1 1   25    2   22 o  125.553   3.0789 -1.898544 6.157824 
1 1 1   25    2   23 o   29.746   8.3809 -4.663931 16.76171 
1 1 1   25    2   24 o  105.784   3.8266 -7.103500 7.653219 
1 1 1   25    2   25 o  100.032   4.0031 2.241287 8.006148 
1 1 1   25    2   26 o   20.306   6.8429 2.799887 13.68576 
1 1 1   25    2   27 o   74.132   5.5896 8.661415 11.17917 
1 1 1   25    2   28 o   56.053   7.0719 -27.87461 14.14374 
1 1 1   25    3    0 o  121.368   4.9937 0.000000 0.000000 
1 1 1   25    3    1 o  214.175   1.9219 -3.550018 3.843794 
1 1 1   25    3    2 o  142.543   2.4286 5.763657 4.857280 
1 1 1   25    3    3 o   49.899   6.7320 -12.78700 13.46404 
1 1 1   25    3    4 o  160.257   2.2417 -6.887634 4.483326 
1 1 1   25    3    5 o  100.434   3.4212 1.815010 6.842420 
1 1 1   25    3    6 o  175.646   2.3609 -4.554855 4.721702 
1 1 1   25    3    7 o  108.799   3.1126 1.058167 6.225152 
1 1 1   25    3    8 o   44.606   6.9926 28.64589 13.98520 
1 1 1   25    3    9 o   84.177   4.1038 1.265343 8.207587 
1 1 1   25    3   10 o  214.501   2.0171 0.7154999 4.034252 
1 1 1   25    3   11 f  193.369   2.1434 -3.509109 4.286859 
1 1 1   25    3   12 f  184.442   2.1376 1.068451 4.275181 
1 1 1   25    3   13 o  107.378   3.2722 -5.389915 6.544428 
1 1 1   25    3   14 o  141.345   2.6156 4.693115 5.231122 
1 1 1   25    3   15 o  193.863   2.1084 -7.662857 4.216860 
1 1 1   25    3   16 o  160.914   2.3689 -3.224930 4.737897 
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1 1 1   25   13    5 o   63.391   4.7461 6.766399 9.492110 
1 1 1   25   13    6 o   87.217   3.6689 -9.275833 7.337842 
1 1 1   25   13    7 o  117.557   3.0450 2.383011 6.089997 
1 1 1   25   13    8 o  179.844   1.9823 -0.4330292 3.964640 
1 1 1   25   13    9 o  126.301   2.5774 -2.414902 5.154813 
1 1 1   25   13   10 o  124.958   2.6399 -5.684097 5.279732 
1 1 1   25   13   11 o   55.847   6.1341 -25.11446 12.26820 
1 1 1   25   13   12 o  206.398   1.9744 3.065247 3.948797 
1 1 1   25   13   13 o   92.076   3.5441 -5.062851 7.088110 
1 1 1   25   13   14 o  102.104   3.7047 -1.302200 7.409465 
1 1 1   25   13   15 o   89.227   3.7124 12.35742 7.424838 
1 1 1   25   13   16 o  150.912   2.6321 -1.644058 5.264226 
1 1 1   25   13   17 o   65.438   5.1721 6.010666 10.34419 
1 1 1   25   13   18 o   36.248   7.4774 24.11469 14.95479 
1 1 1   25   13   19 o   37.732   7.6828 21.59244 15.36566 
1 1 1   25   13   20 o   66.429   5.4078 11.91166 10.81553 
1 1 1   25   13   21 o  138.032   2.8053 -4.125458 5.610558 
1 1 1   25   13   22 o  116.663   3.2748 -13.41374 6.549682 
1 1 1   25   13   23 o   29.940   8.6740 -6.121387 17.34808 
1 1 1   25   13   24 o   66.692   6.0298 10.51146 12.05964 
1 1 1   25   13   25 o   22.934   7.5403 3.701534 15.08066 
1 1 1   25   14    0 o  259.660   2.6299 0.000000 0.000000 
1 1 1   25   14    1 o  151.412   2.2421 2.138626 4.484103 
1 1 1   25   14    2 o  273.840   1.8976 2.814606 3.795117 
1 1 1   25   14    3 o  194.312   1.8933 4.466888 3.786642 
1 1 1   25   14    4 o   58.169   5.2180 -1.371941 10.43603 
1 1 1   25   14    5 o  142.046   2.5831 -1.998749 5.166201 
1 1 1   25   14    6 o  120.712   2.6068 1.468140 5.213511 
1 1 1   25   14    7 o  133.304   2.4458 1.731232 4.891572 
1 1 1   25   14    8 o  192.456   1.9502 -1.301071 3.900357 
1 1 1   25   14    9 o  104.922   3.0373 7.430672 6.074649 
1 1 1   25   14   10 o  183.544   2.0068 -4.647125 4.013629 
1 1 1   25   14   11 o   38.413   7.6302 9.561596 15.26032 
1 1 1   25   14   12 o   83.878   4.5451 -19.03300 9.090254 
1 1 1   25   14   13 o  114.651   2.8573 -1.943947 5.714697 
1 1 1   25   14   14 o   69.633   4.6666 -10.75278 9.333163 
1 1 1   25   14   15 o   61.268   5.2654 6.038620 10.53086 
1 1 1   25   14   16 o  187.153   2.1088 -4.008759 4.217522 
1 1 1   25   14   17 o   89.009   3.8687 0.8720093 7.737453 
1 1 1   25   14   18 o   75.575   4.7340 -6.822960 9.468026 
1 1 1   25   14   19 f  164.001   2.3671 1.739700 4.734232 
1 1 1   25   14   20 o  147.565   2.5707 3.577087 5.141332 
1 1 1   25   14   21 o   24.514   7.6164 -0.1420975E-02 15.23273 
1 1 1   25   14   22 o   88.387   4.8020 -6.027962 9.603992 
1 1 1   25   14   23 o   66.821   6.6114 -10.05304 13.22280 
1 1 1   25   14   24 o   50.645   7.7832 5.505684 15.56634 
1 1 1   25   15    0 o   23.125   9.8588 0.000000 0.000000 
1 1 1   25   15    1 o   60.513   5.0149 7.609600 10.02988 
1 1 1   25   15    2 o  240.875   1.8525 1.393250 3.704973 
1 1 1   25   15    3 o  116.815   2.9361 -4.620956 5.872128 
1 1 1   25   15    4 o  114.814   3.0343 -0.3459778 6.068520 
1 1 1   25   15    5 o  105.560   2.9529 -1.701912 5.905861 
1 1 1   25   15    6 o  109.535   2.8249 5.127449 5.649814 
1 1 1   25   15    7 o  174.526   2.0481 4.350922 4.096149 
1 1 1   25   15    8 o  125.044   2.5850 -6.567078 5.169923 
1 1 1   25   15    9 o   99.112   3.5017 2.964806 7.003481 
1 1 1   25   15   10 o   48.275   7.5310 -3.957893 15.06200 
1 1 1   25   15   11 o  235.507   2.4642 0.1085205 4.928347 
1 1 1   25   15   12 o  177.122   2.1178 -4.835892 4.235600 
1 1 1   25   15   13 o  174.967   2.1277 -3.873352 4.255468 
1 1 1   25   15   14 o   45.055   7.1879 -9.868546 14.37582 
1 1 1   25   15   15 o  115.718   3.3945 1.243675 6.788966 
1 1 1   25   15   16 o  175.557   2.1949 -0.5600739 4.389860 
1 1 1   25   15   17 o   30.158   8.1199 0.1280804 16.23985 
1 1 1   25   15   18 o   99.073   3.5546 3.058510 7.109232 
1 1 1   25   15   19 o   64.182   5.5431 5.522789 11.08618 
1 1 1   25   15   20 o   81.117   5.2054 -16.76134 10.41085 
1 1 1   25   15   21 f   63.943   5.6689 0.9642677 11.33780 
1 1 1   25   15   22 o   34.765   8.8397 -1.010761 17.67934 
1 1 1   25   15   23 o   35.691   8.8552 3.545307 17.71032 
1 1 1   25   16    0 o   18.811   8.7994 0.000000 0.000000 
1 1 1   25   16    1 o  189.516   1.9360 -3.631439 3.871918 
1 1 1   25   16    2 o  203.405   1.8889 5.515656 3.777712 
1 1 1   25   16    3 o   90.774   3.8223 13.87369 7.644557 
1 1 1   25   16    4 o  111.506   2.8069 -9.091316 5.613877 
1 1 1   25   16    5 o   66.362   4.5321 -3.678535 9.064226 
1 1 1   25   16    6 o   69.075   4.4254 1.268181 8.850859 
1 1 1   25   16    7 o   37.717   7.6739 13.92187 15.34771 
1 1 1   25   16    8 o  205.862   1.9216 -3.929031 3.843240 
1 1 1   25   16    9 o  191.468   1.9896 1.986313 3.979192 
1 1 1   25   16   10 o  194.141   2.2698 7.284866 4.539695 
1 1 1   25   16   11 o   71.582   4.3394 -5.178436 8.678826 
1 1 1   25   16   12 o  118.517   2.7427 -4.476936 5.485406 
1 1 1   25   16   13 o   40.148   6.6732 -28.05906 13.34636 
1 1 1   25   16   14 o  126.032   2.6661 1.837364 5.332176 
1 1 1   25   16   15 o   81.262   4.0177 -4.707596 8.035457 
1 1 1   25   16   16 o   73.533   4.7860 -22.47520 9.572077 
1 1 1   25   16   17 o  101.599   3.4253 0.2508392 6.850640 
1 1 1   25   16   18 o   42.549   8.8119 -5.888691 17.62375 
1 1 1   25   16   19 o  129.717   2.8889 8.169228 5.777805 
1 1 1   25   16   20 o   46.759   7.9024 6.708416 15.80487 
1 1 1   25   16   21 o   34.307   9.0614 4.797564 18.12279 
1 1 1   25   16   22 o  101.844   3.9920 1.424469 7.983945 
1 1 1   25   16   23 o   27.983   8.4078 0.4832573 16.81569 
1 1 1   25   17    0 o   66.586   7.1864 0.000000 0.000000 
1 1 1   25   17    1 o   90.391   3.3751 4.248665 6.750265 
1 1 1   25   17    2 o   45.789   6.8344 -7.452957 13.66878 
1 1 1   25   17    3 o  123.284   2.5747 -2.827171 5.149460 
1 1 1   25   17    4 o   48.847   6.4821 22.55898 12.96424 
1 1 1   25   17    5 o   50.770   6.0755 -9.565002 12.15093 
1 1 1   25   17    6 o  111.576   2.7843 3.428200 5.568578 
1 1 1   25   17    7 f   73.536   4.1559 -1.859184 8.311806 
1 1 1   25   17    8 o  168.231   2.3647 -0.2230682 4.729325 
1 1 1   25   17    9 o   27.188   7.2599 19.18517 14.51975 
1 1 1   25   17   10 f   17.715   5.9601 -5.496372 11.92012 
1 1 1   25   17   11 o   73.893   4.1045 2.198486 8.209007 
1 1 1   25   17   12 o  209.891   1.9349 3.779755 3.869836 
1 1 1   25   17   13 o  112.894   2.8650 0.7252121 5.729977 
1 1 1   25   17   14 o   39.837   7.7788 8.865185 15.55766 
1 1 1   25   17   15 o   69.693   4.5633 3.435158 9.126518 
1 1 1   25   17   16 o   27.083   7.6792 5.037663 15.35835 
1 1 1   25   17   17 o   28.963   7.8742 6.941788 15.74837 
1 1 1   25   17   18 o   54.204   6.7004 -18.56647 13.40083 
1 1 1   25   17   19 o   43.914   7.7801 17.08005 15.56015 
1 1 1   25   17   20 f  191.757   2.5122 -3.254257 5.024308 
1 1 1   25   17   21 o   41.670   8.4760 -11.79660 16.95202 
1 1 1   25   17   22 o   95.155   4.7886 -10.71012 9.577252 
1 1 1   25   18    0 o   14.802   7.4642 0.000000 0.000000 
1 1 1   25   18    1 f   22.399   7.0189 -1.277937 14.03782 
1 1 1   25   18    2 o   87.179   3.5851 7.222321 7.170187 
1 1 1   25   18    3 o   85.919   3.5706 -10.10594 7.141179 
1 1 1   25   18    4 o  163.845   2.3899 -2.283417 4.779757 
1 1 1   25   18    5 f  117.195   2.6956 3.502663 5.391226 
1 1 1   25   18    6 o   22.850   7.0163 -1.768085 14.03269 
1 1 1   25   18    7 o   93.899   3.2518 -8.642792 6.503655 
1 1 1   25   18    8 o   30.275   7.5975 -6.631382 15.19492 
1 1 1   25   18    9 o   57.609   5.2202 8.816856 10.44042 
1 1 1   25   18   10 f  104.759   2.9638 -6.485641 5.927625 
1 1 1   25   18   11 o  153.510   2.2172 7.156830 4.434353 
1 1 1   25   18   12 o   28.050   7.6259 -2.234091 15.25185 
1 1 1   25   18   13 o   54.666   6.1068 -17.01351 12.21352 
1 1 1   25   18   14 o   74.110   4.2293 1.636803 8.458621 
1 1 1   25   18   15 o   65.207   4.8188 0.2726059 9.637631 
1 1 1   25   18   16 o  172.633   2.1824 2.567474 4.364716 
1 1 1   25   18   17 o   90.993   3.6821 -4.175758 7.364298 
1 1 1   25   18   18 o   87.435   3.9930 -10.49754 7.986048 
1 1 1   25   18   19 o   87.557   3.8926 1.400681 7.785131 
1 1 1   25   18   20 o   29.356   8.4911 5.656651 16.98216 
1 1 1   25   18   21 o   41.093   8.8074 -0.4584732 17.61474 
1 1 1   25   19    0 o   18.711   8.8116 0.000000 0.000000 
1 1 1   25   19    1 o   70.227   5.0502 -5.391487 10.10043 
1 1 1   25   19    2 o   23.108   6.9032 -10.98884 13.80647 
1 1 1   25   19    3 o  157.999   2.1690 5.264084 4.337905 
1 1 1   25   19    4 o   23.909   7.3866 -2.476955 14.77327 
1 1 1   25   19    5 o  138.668   2.3428 -1.532990 4.685548 
1 1 1   25   19    6 o  104.872   2.9228 0.6222687 5.845660 
1 1 1   25   19    7 o   41.693   7.1262 -4.837208 14.25241 
1 1 1   25   19    8 o   51.479   6.0287 10.79885 12.05739 
1 1 1   25   19    9 o   77.755   3.8989 -1.511337 7.797859 
1 1 1   25   19   10 o  161.101   2.1931 -6.697266 4.386213 
1 1 1   25   19   11 o   55.102   5.9263 -10.26296 11.85269 
1 1 1   25   19   12 o   76.068   4.8070 0.8780823 9.614073 
1 1 1   25   19   13 f  147.132   2.3305 -0.2420044 4.660903 
1 1 1   25   19   14 o   86.452   3.6676 -9.315193 7.335103 
1 1 1   25   19   15 o  103.767   3.1482 0.7495804 6.296305 
1 1 1   25   19   16 o   63.181   5.1714 -1.078911 10.34284 
1 1 1   25   19   17 o   25.165   7.4044 9.011776 14.80884 
1 1 1   25   19   18 o   49.486   6.7901 -3.716785 13.58018 
1 1 1   25   19   19 o   59.121   7.1269 -6.551491 14.25390 
1 1 1   25   19   20 o   84.007   5.3933 -10.14659 10.78660 
1 1 1   25   20    0 o   63.237   7.4286 0.000000 0.000000 
1 1 1   25   20    1 o  133.131   2.4563 3.968704 4.912564 
1 1 1   25   20    2 o  120.902   2.6566 1.034088 5.313278 
1 1 1   25   20    3 f  127.689   2.5428 -7.361771 5.085565 
1 1 1   25   20    4 o   99.601   3.1934 -3.704216 6.386788 
1 1 1   25   20    5 o  152.979   2.2071 4.079193 4.414191 
1 1 1   25   20    6 o   97.389   3.1534 -4.927391 6.306728 
1 1 1   25   20    7 o   88.580   3.4616 -9.226990 6.923229 
1 1 1   25   20    8 o  115.317   2.7462 -2.174286 5.492426 
1 1 1   25   20    9 o   45.068   7.1522 -2.455265 14.30432 
1 1 1   25   20   10 o   82.024   4.6192 -3.008560 9.238467 
1 1 1   25   20   11 o   71.351   4.6300 -26.42408 9.259932 
1 1 1   25   20   12 o   80.669   3.9285 -10.23151 7.856988 
1 1 1   25   20   13 o   44.639   6.9734 -15.42847 13.94683 
1 1 1   25   20   14 o   48.332   6.6787 5.772739 13.35730 
1 1 1   25   20   15 o   91.586   3.5393 -3.775513 7.078554 
1 1 1   25   20   16 o   26.886   7.6461 5.786133 15.29226 
1 1 1   25   20   17 o   38.448   7.9546 -6.321770 15.90919 
1 1 1   25   20   18 o   46.514   7.8736 -23.06416 15.74714 
1 1 1   25   20   19 o  115.135   4.5949 -37.53238 9.189840 
1 1 1   25   21    0 o   41.021   11.150 0.000000 0.000000 
1 1 1   25   21    1 o   94.708   3.3787 -11.14452 6.757430 
1 1 1   25   21    2 o   64.103   4.9035 11.12711 9.807053 
1 1 1   25   21    3 o   99.696   3.2163 -8.029587 6.432533 
1 1 1   25   21    4 o  218.276   1.9108 -4.849518 3.821508 
1 1 1   25   21    5 o   37.270   7.4301 15.23842 14.86021 
1 1 1   25   21    6 o  116.970   2.7353 -0.7613220 5.470568 
1 1 1   25   21    7 o  142.128   2.4824 -0.5632172 4.964884 
1 1 1   25   21    8 o   67.743   4.7369 9.190353 9.473763 
1 1 1   25   21    9 o  140.337   2.3937 -0.7638702 4.787392 
1 1 1   25   21   10 o  117.546   2.7836 5.523735 5.567154 
1 1 1   25   21   11 o   31.204   7.0314 -21.09982 14.06286 
1 1 1   25   21   12 o   32.113   7.7436 -6.937693 15.48725 
1 1 1   25   21   13 o   90.690   3.5084 13.67107 7.016734 
1 1 1   25   21   14 o   66.183   4.8133 11.33205 9.626500 
1 1 1   25   21   15 o   75.461   4.3197 7.017494 8.639358 
1 1 1   25   21   16 o   26.343   7.4051 -12.26592 14.81016 
1 1 1   25   21   17 f   26.131   7.9543 -5.786322 15.90859 
1 1 1   25   21   18 o   73.102   7.6415 -35.73825 15.28310 
1 1 1   25   22    0 o   53.935   12.284 0.000000 0.000000 
1 1 1   25   22    1 o  122.768   2.6916 -9.317802 5.383109 
1 1 1   25   22    2 o  176.783   2.2623 0.7238464 4.524508 
1 1 1   25   22    3 o   64.103   5.1445 -19.01882 10.28901 
1 1 1   25   22    4 o   83.509   3.8465 -14.70946 7.693099 
1 1 1   25   22    5 o   20.123   6.5219 -8.635358 13.04388 
1 1 1   25   22    6 o   69.361   4.4840 -3.809593 8.967982 
1 1 1   25   22    7 o   32.509   7.7919 7.223530 15.58384 
1 1 1   25   22    8 o   62.688   5.0566 -13.14202 10.11312 
1 1 1   25   22    9 o   43.919   7.2621 -3.763988 14.52429 
1 1 1   25   22   10 o   67.025   4.7851 -16.70162 9.570107 
1 1 1   25   22   11 o   29.373   7.8075 0.6230412 15.61502 
1 1 1   25   22   12 o   51.938   6.2679 -4.413586 12.53588 
1 1 1   25   22   13 o   38.787   7.5853 14.03257 15.17064 
1 1 1   25   22   14 o   20.972   6.7648 -2.730659 13.52966 
1 1 1   25   22   15 o   20.332   6.5302 7.621462 13.06035 
1 1 1   25   22   16 o  105.607   4.1262 0.7758331 8.252382 
1 1 1   25   22   17 x  ?   ?       ?      ? 
1 1 1   25   23    0 o   36.902   13.031 0.000000 0.000000 
1 1 1   25   23    1 o  134.051   2.5384 -3.829941 5.076834 
1 1 1   25   23    2 o   63.207   5.4260 -6.390553 10.85204 
1 1 1   25   23    3 o  164.245   2.2174 1.368134 4.434836 
1 1 1   25   23    4 o   51.856   6.4113 5.257626 12.82265 
1 1 1   25   23    5 o   81.222   4.0059 -7.469048 8.011705 
1 1 1   25   23    6 o  118.798   2.8176 -4.739090 5.635209 
1 1 1   25   23    7 o   67.604   4.7827 5.881683 9.565327 
1 1 1   25   23    8 o  142.746   2.4190 -4.669418 4.837909 
1 1 1   25   23    9 o   33.732   7.1811 20.02284 14.36219 
1 1 1   25   23   10 o   18.936   6.3354 -1.095011 12.67079 
1 1 1   25   23   11 o   70.026   4.6357 -7.597511 9.271396 
1 1 1   25   23   12 o   22.394   6.9289 -11.59141 13.85774 
1 1 1   25   23   13 o   37.912   7.8517 1.721233 15.70341 
1 1 1   25   23   14 o   87.350   3.7167 -4.718582 7.433439 
1 1 1   25   23   15 o   50.332   8.3140 -3.723907 16.62808 
1 1 1   25   24    0 o   48.920   9.8410 0.000000 0.000000 
1 1 1   25   24    1 o   82.272   4.0107 -1.961945 8.021315 
1 1 1   25   24    2 o   87.988   3.8151 -4.971497 7.630271 
1 1 1   25   24    3 f   56.236   6.0555 12.60418 12.11091 
1 1 1   25   24    4 o   61.774   5.3894 -7.148819 10.77873 
1 1 1   25   24    5 o   71.703   4.6320 0.4464874 9.263968 
1 1 1   25   24    6 o   69.261   4.6904 0.2633362 9.380845 
1 1 1   25   24    7 o  105.622   3.1272 3.515282 6.254409 
1 1 1   25   24    8 o  112.148   3.0312 7.290550 6.062371 
1 1 1   25   24    9 o   86.050   3.9462 8.722832 7.892341 
1 1 1   25   24   10 o   45.453   7.2792 -8.098377 14.55842 
1 1 1   25   24   11 o   95.523   3.4557 2.170021 6.911299 
1 1 1   25   24   12 o   16.915   5.8038 -0.2977905 11.60753 
1 1 1   25   24   13 o   45.235   8.1143 -10.18174 16.22869 
1 1 1   25   24   14 o   24.909   8.1306 -0.4816322 16.26117 
1 1 1   25   25    0 o  151.502   3.5416 0.000000 0.000000 
1 1 1   25   25    1 o   22.608   7.1721 3.832542 14.34415 
1 1 1   25   25    2 o   33.002   7.9037 13.16405 15.80747 
1 1 1   25   25    3 o   69.327   5.0480 25.40849 10.09594 
1 1 1   25   25    4 o   36.723   7.8614 10.25082 15.72272 
1 1 1   25   25    5 o  102.512   3.4057 13.77183 6.811341 
1 1 1   25   25    6 o   42.378   7.5623 -17.51766 15.12455 
1 1 1   25   25    7 o   28.997   7.9113 7.868956 15.82255 
1 1 1   25   25    8 o   48.313   7.1036 17.48919 14.20728 
1 1 1   25   25    9 o   70.158   5.5240 -24.81542 11.04794 
1 1 1   25   25   10 f   25.194   7.4475 5.774338 14.89509 
1 1 1   25   25   11 o   30.158   8.2897 -12.13020 16.57935 
1 1 1   25   25   12 x  ?   ?       ?      ? 
1 1 1   25   26    0 o  163.750   3.4939 0.000000 0.000000 
1 1 1   25   26    1 o   20.245   6.7855 5.520433 13.57095 
1 1 1   25   26    2 o   91.803   3.8258 1.887650 7.651689 
1 1 1   25   26    3 o   52.184   6.8888 -6.575172 13.77752 
1 1 1   25   26    4 o   54.557   6.7782 -6.249031 13.55643 
1 1 1   25   26    5 o   92.052   3.9932 -0.4787827 7.986326 
1 1 1   25   26    6 o   65.717   5.5627 -2.545761 11.12537 
1 1 1   25   26    7 o   22.102   7.1427 0.9941158 14.28547 
1 1 1   25   26    8 o   62.488   6.7818 18.33327 13.56368 
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1 1 1   25   27    5 o   26.811   8.4025 -3.809114 16.80501 
1 1 1   25   27    6 x  ?   ?       ?      ? 
1 1 1   26    0    0 o  267.990   3.7286 0.000000 0.000000 
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1 1 1   26    1   11 o  292.954   1.9969 1.509613 3.993826 
1 1 1   26    1   12 o   82.084   4.0153 -5.299896 8.030607 
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1 1 1   26    1   26 o   44.269   8.5811 -8.551926 17.16210 
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1 1 1   26    2    5 o  170.779   2.1514 1.242508 4.302765 
1 1 1   26    2    6 o   98.195   3.6834 4.222389 7.366892 
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1 1 1   26    2    8 o   75.540   4.2752 5.329964 8.550365 
1 1 1   26    2    9 o  276.316   1.9797 -1.006195 3.959345 
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1 1 1   26    2   13 o  296.260   1.9729 1.838074 3.945840 
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1 1 1   26    2   20 o   75.799   4.8395 -8.070900 9.678937 
1 1 1   26    2   21 o  169.720   2.4014 -3.699432 4.802824 
1 1 1   26    2   22 o   59.726   6.2951 -3.984474 12.59029 
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1 1 1   26    2   25 o   25.495   7.9506 -1.466072 15.90115 
1 1 1   26    2   26 o   43.862   8.7821 -3.268398 17.56428 
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1 1 1   26    3    5 o   49.724   6.7890 2.411415 13.57805 
1 1 1   26    3    6 o  182.484   2.1164 2.468262 4.232847 
1 1 1   26    3    7 o  297.525   1.9798 -0.3583984 3.959678 
1 1 1   26    3    8 o  217.895   1.9968 0.7873993 3.993612 
1 1 1   26    3    9 f  211.505   2.0031 0.2042694 4.006239 
1 1 1   26    3   10 o   90.302   3.6383 0.9577179 7.276625 
1 1 1   26    3   11 o  209.018   2.0004 -3.229767 4.000820 
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1 1 1   26    3   13 o  213.452   1.9793 1.258499 3.958536 
1 1 1   26    3   14 o  249.361   1.9826 6.822662 3.965105 
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1 1 1   26    3   17 o  162.610   3.5796 51.12674 7.159174 
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1 1 1   26    4    6 o   56.771   5.9396 6.358631 11.87919 
1 1 1   26    4    7 o   29.110   7.9247 3.433460 15.84931 
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1 1 1   26    4   16 o  159.854   2.4042 0.4724731 4.808439 
1 1 1   26    4   17 o  260.426   2.2272 5.446381 4.454304 
1 1 1   26    4   18 o  116.976   3.0830 2.607590 6.165939 
1 1 1   26    4   19 o   30.399   8.0155 7.897259 16.03108 
1 1 1   26    4   20 o   88.882   4.0813 8.804207 8.162580 
1 1 1   26    4   21 o   57.319   7.7105 19.20347 15.42095 
1 1 1   26    4   22 o   83.035   4.6515 6.633202 9.302978 
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1 1 1   26    4   24 o   53.107   7.8366 -5.674171 15.67323 
1 1 1   26    4   25 o   31.696   8.2550 19.24641 16.50992 
1 1 1   26    4   26 o   25.325   7.8858 1.422688 15.77154 
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1 1 1   26    5    3 o   60.212   5.4338 13.05123 10.86770 
1 1 1   26    5    4 o  152.000   2.3108 5.947861 4.621596 
1 1 1   26    5    5 o  142.576   2.4329 -3.331085 4.865793 
1 1 1   26    5    6 o   66.671   5.4135 8.042828 10.82703 
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1 1 1   26    5    8 o  161.902   2.2237 2.529312 4.447414 
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1 1 1   26    5   21 o  202.213   2.2140 0.7750854 4.427946 
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1 1 1   26    5   25 o   25.236   7.8708 6.801966 15.74156 
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1 1 1   26    6    2 o  223.482   1.9039 1.390182 3.807883 
1 1 1   26    6    3 o  296.834   1.9510 2.809265 3.901903 
1 1 1   26    6    4 o  199.454   1.9887 6.952133 3.977325 
1 1 1   26    6    5 o  206.433   1.9484 1.877350 3.896717 
1 1 1   26    6    6 o   73.996   4.4058 -9.750847 8.811581 
1 1 1   26    6    7 o  102.537   3.2080 -3.161278 6.416059 
1 1 1   26    6    8 o   41.826   7.9623 -7.074299 15.92459 
1 1 1   26    6    9 o   76.880   4.2356 5.637871 8.471176 
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1 1 1   26    6   11 o  140.913   2.5113 9.844696 5.022700 
1 1 1   26    6   12 o   36.585   7.8255 -5.717678 15.65110 
1 1 1   26    6   13 o   97.999   3.3496 -2.094398 6.699253 
1 1 1   26    6   14 o   55.212   6.2964 -3.637539 12.59282 
1 1 1   26    6   15 o  109.891   3.3387 -8.649300 6.677373 
1 1 1   26    6   16 o   73.856   7.0207 7.661629 14.04149 
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1 1 1   26    6   23 o   36.200   8.6597 11.01480 17.31932 
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1 1 1   26    6   25 o   50.862   8.0857 7.432571 16.17136 
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1 1 1   26    7   10 o  132.891   2.5468 0.3685303 5.093688 
1 1 1   26    7   11 o  192.921   2.0098 0.9099426 4.019664 
1 1 1   26    7   12 o   99.884   3.2568 -1.934242 6.513699 
1 1 1   26    7   13 o  101.302   3.2802 -2.260742 6.560332 
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1 1 1   26    7   15 o   22.520   6.9737 -9.912498 13.94746 
1 1 1   26    7   16 o   49.728   6.9699 -15.37481 13.93970 
1 1 1   26    7   17 o   52.896   6.5950 14.06781 13.19005 
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1 1 1   26    7   19 o   83.914   4.2376 -0.1075516 8.475181 
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1 1 1   26    7   22 o  107.905   3.6210 3.000443 7.242013 
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1 1 1   26    7   24 o   70.235   5.7907 13.51949 11.58148 
1 1 1   26    7   25 o   24.184   7.7292 0.7969990 15.45831 
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1 1 1   26    8    5 o  332.632   2.0442 -3.044769 4.088439 
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1 1 1   26    8   12 o   81.904   3.9273 3.165497 7.854523 
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1 1 1   26    8   15 o  149.078   2.9716 21.08635 5.943131 
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1 1 1   26    8   23 o   43.083   8.5517 6.746117 17.10336 
1 1 1   26    8   24 o   36.139   8.8115 -10.22603 17.62309 
1 1 1   26    8   25 o   40.606   8.4946 -17.63782 16.98911 
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1 1 1   26    9    8 o   34.555   7.6982 4.737701 15.39633 
1 1 1   26    9    9 o  187.850   2.0000 -1.083572 4.000004 
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1 1 1   26    9   11 o   61.784   5.1223 -8.423740 10.24452 
1 1 1   26    9   12 o  270.806   1.9409 -0.1462708 3.881807 
1 1 1   26    9   13 f   54.916   5.8739 3.934662 11.74776 
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1 1 1   26    9   22 f   45.050   8.5981 -6.188171 17.19616 
1 1 1   26    9   23 o  137.899   2.9794 -2.814575 5.958726 
1 1 1   26    9   24 o   50.521   7.8446 14.87810 15.68916 
1 1 1   26    9   25 o   44.756   8.4149 11.28703 16.82990 
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1 1 1   26   10    4 o  170.729   2.0629 0.9123993 4.125771 
1 1 1   26   10    5 o  225.656   1.8728 0.6408844 3.745700 
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1 1 1   26   10    7 o  116.468   2.7802 -0.6633148 5.560466 
1 1 1   26   10    8 o  191.062   2.0122 -1.362305 4.024410 
1 1 1   26   10    9 o   81.829   3.8198 0.8020554 7.639565 
1 1 1   26   10   10 o  209.296   1.9269 1.425369 3.853730 
1 1 1   26   10   11 o   40.007   7.3638 16.29882 14.72758 
1 1 1   26   10   12 o   55.130   5.9639 -11.28387 11.92778 
1 1 1   26   10   13 o   40.889   7.4823 -13.47927 14.96458 
1 1 1   26   10   14 o  126.774   3.8183 53.78685 7.636682 
1 1 1   26   10   15 o  224.399   1.9802 -5.076691 3.960397 
1 1 1   26   10   16 o   61.120   5.5075 2.074936 11.01504 
1 1 1   26   10   17 o   78.541   4.3755 -1.369148 8.751085 
1 1 1   26   10   18 o   57.965   6.1385 11.39769 12.27705 
1 1 1   26   10   19 o  117.056   3.0962 -7.876945 6.192419 
1 1 1   26   10   20 o   87.962   4.2668 6.076401 8.533511 
1 1 1   26   10   21 o   18.943   6.4706 4.161547 12.94126 
1 1 1   26   10   22 o  113.628   3.4471 -2.937759 6.894177 
1 1 1   26   10   23 o   31.011   7.8408 -20.93914 15.68161 
1 1 1   26   10   24 o   90.501   4.4320 5.211456 8.863908 
1 1 1   26   10   25 o   42.265   9.0582 -1.824825 18.11641 
1 1 1   26   11    0 o  379.235   3.1112 0.000000 0.000000 
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1 1 1   26   11    3 o  186.257   1.9607 -0.3866577E-01 3.921485 
1 1 1   26   11    4 o   34.038   7.6520 9.845966 15.30400 
1 1 1   26   11    5 o   93.062   3.3652 6.052277 6.730406 
1 1 1   26   11    6 o   59.757   5.1691 -7.166496 10.33815 
1 1 1   26   11    7 o  149.881   2.2081 -1.829803 4.416288 
1 1 1   26   11    8 o  121.514   2.6119 -0.7234344 5.223771 
1 1 1   26   11    9 o  166.626   2.1410 0.7278900 4.281960 
1 1 1   26   11   10 o  133.567   2.4488 -2.507706 4.897500 
1 1 1   26   11   11 o  210.388   1.9458 -0.5883484 3.891695 
1 1 1   26   11   12 o   21.596   6.8207 -5.090994 13.64137 
1 1 1   26   11   13 o  118.782   3.2941 29.76675 6.588124 
1 1 1   26   11   14 o   24.135   7.3204 -5.806541 14.64070 
1 1 1   26   11   15 o   39.818   7.2397 -23.32889 14.47945 
1 1 1   26   11   16 o  110.901   3.0967 -1.043839 6.193351 
1 1 1   26   11   17 o  145.364   2.4988 3.377029 4.997660 
1 1 1   26   11   18 o   51.155   6.9284 -25.48704 13.85684 
1 1 1   26   11   19 o   41.869   7.7408 17.07921 15.48155 
1 1 1   26   11   20 o   21.123   7.0654 -4.035402 14.13087 
1 1 1   26   11   21 o   33.212   8.4737 -5.184362 16.94741 
1 1 1   26   11   22 o   47.198   7.5574 28.57479 15.11474 
1 1 1   26   11   23 o   82.469   4.7181 -0.5115204 9.436214 
1 1 1   26   11   24 o   25.429   7.8006 3.884354 15.60129 
1 1 1   26   12    0 o  164.051   3.0709 0.000000 0.000000 
1 1 1   26   12    1 o  291.513   1.9082 1.256592 3.816392 
1 1 1   26   12    2 o  227.949   1.8332 -0.6345673 3.666334 
1 1 1   26   12    3 o  122.959   2.6114 -0.9440536 5.222703 
1 1 1   26   12    4 o  105.085   2.9392 -12.79489 5.878476 
1 1 1   26   12    5 o  149.440   2.1785 4.407104 4.357091 
1 1 1   26   12    6 o   89.349   3.4563 -2.572548 6.912658 
1 1 1   26   12    7 o  138.049   2.3509 -0.8186951 4.701834 
1 1 1   26   12    8 o  120.913   2.6362 0.2225494E-01 5.272477 
1 1 1   26   12    9 o  104.272   3.0081 -0.9951172 6.016144 
1 1 1   26   12   10 o  165.034   2.1300 -0.4905243 4.260011 
1 1 1   26   12   11 o  142.712   2.4141 1.271729 4.828260 
1 1 1   26   12   12 o   91.628   3.9220 2.557755 7.844063 
1 1 1   26   12   13 o  128.088   2.7148 -0.8917542 5.429652 
1 1 1   26   12   14 o   83.188   4.0163 4.306900 8.032531 
1 1 1   26   12   15 o  130.343   2.7345 -6.834480 5.469013 
1 1 1   26   12   16 o  215.556   2.0384 -2.241699 4.076742 
1 1 1   26   12   17 o  156.186   2.4139 -8.187653 4.827783 
1 1 1   26   12   18 o  111.029   3.2185 -5.639214 6.436924 
1 1 1   26   12   19 o   71.396   5.0075 -1.766174 10.01507 
1 1 1   26   12   20 o   28.096   7.9958 9.771385 15.99156 
1 1 1   26   12   21 o   65.907   5.7651 -10.69023 11.53028 
1 1 1   26   12   22 o   35.851   8.5572 19.26878 17.11435 
1 1 1   26   12   23 o   36.373   8.1164 -16.40414 16.23273 
1 1 1   26   12   24 o   38.692   7.6849 -26.85982 15.36974 
1 1 1   26   13    0 o  261.851   2.6221 0.000000 0.000000 
1 1 1   26   13    1 o  116.635   2.7327 0.3368149 5.465412 
1 1 1   26   13    2 o   82.045   3.6865 -3.285011 7.373008 
1 1 1   26   13    3 o  192.089   1.8953 -0.3972931 3.790537 
1 1 1   26   13    4 o   29.187   7.4767 11.93320 14.95349 
1 1 1   26   13    5 o   46.870   6.5945 5.205364 13.18905 
1 1 1   26   13    6 o  124.752   2.5498 -4.016953 5.099665 
1 1 1   26   13    7 o  116.544   2.7118 -2.014297 5.423526 
1 1 1   26   13    8 o   30.219   7.7623 2.529814 15.52450 
1 1 1   26   13    9 f   24.832   6.9702 -13.60084 13.94048 
1 1 1   26   13   10 o   98.040   3.2992 -1.654533 6.598357 
1 1 1   26   13   11 o  176.986   2.1172 6.670807 4.234451 
1 1 1   26   13   12 o  123.510   2.9396 -16.21310 5.879253 
1 1 1   26   13   13 o   27.858   7.0342 -19.43888 14.06830 
1 1 1   26   13   14 o  198.874   2.0290 2.443176 4.058015 
1 1 1   26   13   15 o   55.057   6.1872 8.342171 12.37446 
1 1 1   26   13   16 o  114.883   2.9910 -9.121071 5.982098 
1 1 1   26   13   17 o   87.489   3.9001 8.247093 7.800145 
1 1 1   26   13   18 f  117.508   3.0692 -4.648186 6.138488 
1 1 1   26   13   19 o   25.850   7.7688 -2.073509 15.53752 
1 1 1   26   13   20 o  104.169   3.5672 9.732002 7.134327 
1 1 1   26   13   21 o   43.232   8.3093 3.667442 16.61868 
1 1 1   26   13   22 o  106.602   3.7160 -5.361275 7.432028 
1 1 1   26   13   23 o   26.404   7.8515 -7.374531 15.70307 
1 1 1   26   14    0 o  100.425   4.4153 0.000000 0.000000 
1 1 1   26   14    1 o  154.936   2.1454 -0.7143097 4.290809 
1 1 1   26   14    2 o  182.488   1.9630 3.776596 3.926011 
1 1 1   26   14    3 o   25.845   6.9922 -14.34783 13.98448 
1 1 1   26   14    4 o  183.505   1.9771 0.3795166 3.954234 
1 1 1   26   14    5 o  180.141   1.9753 1.827957 3.950611 
1 1 1   26   14    6 o   26.603   7.4865 3.149797 14.97296 
1 1 1   26   14    7 o  130.544   2.4576 -6.643105 4.915141 
1 1 1   26   14    8 f  162.256   2.2178 2.313446 4.435580 
1 1 1   26   14    9 o   60.710   5.8781 -3.723907 11.75613 
1 1 1   26   14   10 o  103.999   3.4947 0.1824799 6.989309 
1 1 1   26   14   11 f   45.570   7.0046 15.08004 14.00911 
1 1 1   26   14   12 o  184.705   2.0761 -2.404877 4.152116 
1 1 1   26   14   13 o  164.435   2.1964 -6.903702 4.392702 
1 1 1   26   14   14 o   29.459   7.7864 10.44321 15.57279 
1 1 1   26   14   15 o   67.344   5.4974 4.065430 10.99490 
1 1 1   26   14   16 o   67.486   5.2871 -22.42951 10.57423 
1 1 1   26   14   17 o   80.030   4.2741 -1.446152 8.548248 
1 1 1   26   14   18 o  105.938   3.3862 2.954643 6.772315 
1 1 1   26   14   19 o   97.571   3.7342 -10.87357 7.468418 
1 1 1   26   14   20 o   55.521   6.7616 -11.20185 13.52313 
1 1 1   26   14   21 o   73.676   5.0739 2.875763 10.14790 
1 1 1   26   14   22 o   42.488   8.6712 -4.239731 17.34231 
1 1 1   26   14   23 o   29.743   7.7549 -21.57846 15.50986 
1 1 1   26   15    0 o   17.568   8.3834 0.000000 0.000000 
1 1 1   26   15    1 o   95.509   3.1719 -3.084969 6.343761 
1 1 1   26   15    2 o   17.626   5.9456 -4.089315 11.89116 
1 1 1   26   15    3 o   19.558   6.4011 -2.965590 12.80229 
1 1 1   26   15    4 o   87.473   3.4313 6.302841 6.862629 
1 1 1   26   15    5 o   77.847   3.9834 -5.385628 7.966805 
1 1 1   26   15    6 o  137.374   2.4425 -11.47162 4.884980 
1 1 1   26   15    7 o  178.505   2.2953 1.455444 4.590692 
1 1 1   26   15    8 o   74.404   4.2772 10.92231 8.554374 
1 1 1   26   15    9 o  141.762   2.3877 -5.677200 4.775484 
1 1 1   26   15   10 o   73.159   4.2518 -9.192245 8.503651 
1 1 1   26   15   11 o  196.800   2.0056 -5.584641 4.011236 
1 1 1   26   15   12 o  135.939   2.5020 -1.835861 5.004015 
1 1 1   26   15   13 o   17.040   5.8561 -0.2404137 11.71228 
1 1 1   26   15   14 o  131.942   2.6408 2.317093 5.281696 
1 1 1   26   15   15 o   34.059   7.8956 13.47181 15.79118 
1 1 1   26   15   16 o   82.095   4.1497 -12.19233 8.299335 
1 1 1   26   15   17 o   40.782   8.0150 4.333897 16.03006 
1 1 1   26   15   18 o  119.648   3.4425 -1.055550 6.884943 
1 1 1   26   15   19 o   82.884   4.3831 -5.559486 8.766260 
1 1 1   26   15   20 o   77.235   4.7537 -4.319565 9.507310 
1 1 1   26   15   21 f  119.621   3.2117 -0.7291336 6.423312 
1 1 1   26   15   22 o   43.221   8.7765 -15.35989 17.55295 
1 1 1   26   16    0 o  150.145   3.1624 0.000000 0.000000 
1 1 1   26   16    1 o  115.802   2.6789 -3.249008 5.357777 
1 1 1   26   16    2 o  157.322   2.1649 -0.9244537 4.329869 
1 1 1   26   16    3 o  134.684   2.4090 -7.396927 4.817998 
1 1 1   26   16    4 o   34.028   6.9028 23.83221 13.80554 
1 1 1   26   16    5 o  135.374   3.1033 34.45058 6.206668 
1 1 1   26   16    6 o   37.232   7.5561 15.35758 15.11211 
1 1 1   26   16    7 o   46.993   6.7517 -3.391411 13.50346 
1 1 1   26   16    8 o  132.943   2.4638 -0.2134705 4.927583 
1 1 1   26   16    9 o   52.199   6.0779 -13.04060 12.15585 
1 1 1   26   16   10 o  104.216   3.0915 6.838226 6.182976 
1 1 1   26   16   11 f   37.496   7.9707 13.87826 15.94134 
1 1 1   26   16   12 o   64.158   6.1579 15.96131 12.31572 
1 1 1   26   16   13 o   52.336   7.2961 16.33212 14.59219 
1 1 1   26   16   14 o  113.296   3.4847 6.950920 6.969308 
1 1 1   26   16   15 o   70.080   4.9231 -14.77077 9.846188 
1 1 1   26   16   16 o   20.645   6.7645 1.204508 13.52898 
1 1 1   26   16   17 o   68.408   5.6323 -0.5931549 11.26460 
1 1 1   26   16   18 o   95.939   3.7572 -3.031937 7.514335 
1 1 1   26   16   19 o   49.393   6.9293 39.46184 13.85859 
1 1 1   26   16   20 o   72.994   5.1784 -0.2160263 10.35684 
1 1 1   26   16   21 o   41.512   8.5734 -6.324284 17.14676 
1 1 1   26   17    0 o   85.061   5.8958 0.000000 0.000000 
1 1 1   26   17    1 o  106.580   2.9866 5.623161 5.973246 
1 1 1   26   17    2 o   74.500   4.4513 -5.460144 8.902653 
1 1 1   26   17    3 o   60.466   5.1956 6.093243 10.39125 
1 1 1   26   17    4 o  129.198   3.5256 -1.192841 7.051136 
1 1 1   26   17    5 o   17.123   5.8385 -3.941097 11.67694 
1 1 1   26   17    6 o  182.665   1.9966 -0.6185913E-01 3.993181 
1 1 1   26   17    7 o   83.464   3.6423 0.6102982 7.284508 
1 1 1   26   17    8 o   42.872   7.5898 -19.61676 15.17969 
1 1 1   26   17    9 o   97.500   3.1830 3.738029 6.366052 
1 1 1   26   17   10 o   64.042   4.9051 2.165760 9.810133 
1 1 1   26   17   11 o   90.306   3.5112 7.296654 7.022362 
1 1 1   26   17   12 o   54.303   6.2265 -17.33164 12.45307 
1 1 1   26   17   13 o   23.346   7.1166 9.706453 14.23327 
1 1 1   26   17   14 o   51.742   6.3505 1.391075 12.70101 
1 1 1   26   17   15 o   37.354   7.8076 -11.10383 15.61516 
1 1 1   26   17   16 o   81.017   4.1642 -7.219650 8.328414 
1 1 1   26   17   17 o  140.158   2.5838 3.892807 5.167569 
1 1 1   26   17   18 o   36.559   8.5427 12.83866 17.08542 
1 1 1   26   17   19 o   77.788   4.6662 -2.263962 9.332416 
1 1 1   26   17   20 o   74.163   4.9383 -4.604927 9.876670 
1 1 1   26   18    0 o   21.661   9.4222 0.000000 0.000000 
1 1 1   26   18    1 o   80.946   3.8224 -3.169067 7.644866 
1 1 1   26   18    2 o   51.739   5.8688 -1.459492 11.73764 
1 1 1   26   18    3 o  116.659   2.7483 4.996414 5.496567 
1 1 1   26   18    4 o  119.700   2.6359 -2.738037 5.271746 
1 1 1   26   18    5 o   48.216   6.3958 13.20877 12.79160 
1 1 1   26   18    6 o  157.262   2.1350 -4.674973 4.269953 
1 1 1   26   18    7 o   36.585   8.1604 4.020622 16.32080 
1 1 1   26   18    8 o   88.034   3.6032 4.039764 7.206390 
1 1 1   26   18    9 o   75.287   4.0964 13.75124 8.192842 
1 1 1   26   18   10 o   29.270   7.7137 -4.791672 15.42738 
1 1 1   26   18   11 o   21.202   6.7769 -4.915672 13.55389 
1 1 1   26   18   12 o  141.425   2.3754 -1.484055 4.750796 
1 1 1   26   18   13 f   85.158   3.7591 7.363159 7.518130 
1 1 1   26   18   14 o   52.550   6.2274 -2.285809 12.45481 
1 1 1   26   18   15 o   87.135   3.7716 -1.922539 7.543126 
1 1 1   26   18   16 o   23.410   7.2842 2.954182 14.56846 
1 1 1   26   18   17 o   45.047   7.2981 -14.84580 14.59615 
1 1 1   26   18   18 f   39.409   7.6477 -18.65038 15.29534 
1 1 1   26   18   19 o  145.959   3.3406 -21.09723 6.681231 
1 1 1   26   19    0 o   20.609   9.3691 0.000000 0.000000 
1 1 1   26   19    1 o   22.545   6.6552 13.74567 13.31042 
1 1 1   26   19    2 o  141.536   2.3465 1.341171 4.693007 
1 1 1   26   19    3 o   60.960   5.1041 14.51074 10.20823 
1 1 1   26   19    4 o   65.995   4.7081 -6.336491 9.416265 
1 1 1   26   19    5 o  159.682   2.1700 -2.587997 4.340082 
1 1 1   26   19    6 o   33.720   7.8186 3.276363 15.63713 
1 1 1   26   19    7 o   70.064   4.3620 4.315231 8.724096 
1 1 1   26   19    8 o  115.189   2.8026 -1.979225 5.605286 
1 1 1   26   19    9 o   88.609   3.4793 -5.191742 6.958676 
1 1 1   26   19   10 o   15.300   5.3652 0.7950315 10.73042 
1 1 1   26   19   11 o   61.866   5.0885 -5.939510 10.17709 
1 1 1   26   19   12 o   25.308   7.4001 6.653498 14.80018 
1 1 1   26   19   13 o   42.674   6.8461 28.05066 13.69213 
1 1 1   26   19   14 o   38.713   7.6572 -6.682320 15.31438 
1 1 1   26   19   15 o   75.034   4.3687 -5.921539 8.737412 
1 1 1   26   19   16 o   35.428   7.9706 -5.655228 15.94118 
1 1 1   26   19   17 o   43.232   7.8739 1.024487 15.74783 
1 1 1   26   19   18 o  141.727   3.0092 -21.10199 6.018428 
1 1 1   26   20    0 o   89.537   5.0692 0.000000 0.000000 
1 1 1   26   20    1 o  117.002   2.7570 1.281960 5.514050 
1 1 1   26   20    2 o   50.893   6.8655 33.78548 13.73108 
1 1 1   26   20    3 o   31.843   7.8033 -6.367531 15.60659 
1 1 1   26   20    4 o   20.461   6.6256 -3.851736 13.25118 
1 1 1   26   20    5 o  114.817   2.8716 -5.260300 5.743288 
1 1 1   26   20    6 o   82.787   3.8426 -5.890427 7.685229 
1 1 1   26   20    7 o   61.819   5.4282 22.55070 10.85636 
1 1 1   26   20    8 o   33.828   7.6470 -10.77723 15.29404 
1 1 1   26   20    9 o   72.281   4.3171 3.636192 8.634186 
1 1 1   26   20   10 o  129.130   2.5756 2.238815 5.151262 
1 1 1   26   20   11 o   79.366   4.0490 -9.917229 8.098061 
1 1 1   26   20   12 o   25.397   7.3553 -7.736799 14.71065 
1 1 1   26   20   13 o  108.663   3.0864 -4.916962 6.172789 
1 1 1   26   20   14 o   38.994   7.8650 -5.000916 15.73006 
1 1 1   26   20   15 o   64.749   5.1755 -1.917595 10.35105 
1 1 1   26   20   16 o  104.690   3.3643 -8.325089 6.728543 
1 1 1   26   20   17 o   22.575   7.2276 0.5066414 14.45514 
1 1 1   26   21    0 o   62.908   8.3616 0.000000 0.000000 
1 1 1   26   21    1 o   57.577   5.7051 -15.35204 11.41013 
1 1 1   26   21    2 o   79.427   4.0061 7.954384 8.012239 
1 1 1   26   21    3 o  100.922   3.2514 -11.80210 6.502861 
1 1 1   26   21    4 o   30.618   8.1682 -3.293907 16.33645 
1 1 1   26   21    5 o   96.847   3.3243 -1.054245 6.648693 
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1 1 1   26   21    7 o   27.368   7.6853 -0.2907448 15.37062 
1 1 1   26   21    8 o  146.221   2.3529 4.045151 4.705847 
1 1 1   26   21    9 o  120.797   2.7571 8.777809 5.514131 
1 1 1   26   21   10 o   80.344   4.1441 12.84645 8.288144 
1 1 1   26   21   11 o   34.854   7.7755 -16.98335 15.55107 
1 1 1   26   21   12 o   69.824   4.7306 -14.24621 9.461294 
1 1 1   26   21   13 o   25.902   7.6225 7.588381 15.24501 
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1 1 1   26   21   15 o   55.141   6.5386 9.367840 13.07717 
1 1 1   26   21   16 o   26.486   7.8417 -7.576008 15.68342 
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1 1 1   26   22    3 o   40.944   5.6430 45.30844 11.28599 
1 1 1   26   22    4 o   58.279   5.6419 9.217304 11.28375 
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1 1 1   26   22   11 o  146.658   2.4893 0.3827209 4.978599 
1 1 1   26   22   12 f   93.733   3.6897 2.948448 7.379379 
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1 1 1   26   22   14 o  147.724   3.0233 -35.66626 6.046541 
1 1 1   26   22   15 x  ?   ?       ?      ? 
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1 1 1   26   23    2 o   24.826   7.3909 -7.480398 14.78189 
1 1 1   26   23    3 o  127.009   2.9043 -4.548798 5.808535 
1 1 1   26   23    4 o   43.662   7.4960 11.26252 14.99194 
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1 1 1   26   23    8 o   58.644   5.6859 -3.631294 11.37186 
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1 1 1   26   23   10 o   77.296   4.6379 21.62653 9.275746 
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1 1 1   26   24    6 o   74.071   4.7031 -17.17670 9.406235 
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1 1 1   26   24    8 o   44.811   7.8429 7.053753 15.68571 
1 1 1   26   24    9 o   25.797   7.7503 3.013720 15.50051 
1 1 1   26   24   10 o   34.806   8.2289 8.999224 16.45782 
1 1 1   26   24   11 o   21.167   6.9453 -10.57034 13.89064 
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1 1 1   26   25    4 o   70.721   5.1481 -8.318756 10.29616 
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1 1 1   26   25    8 f   57.911   6.7740 3.504074 13.54800 
1 1 1   26   25    9 x  ?   ?       ?      ? 
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1 1 1   26   26    2 o   81.472   6.0581 0.4086075 12.11628 
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1 1 1   26   26    4 o   21.317   7.1356 0.9461212 14.27118 
1 1 1   26   26    5 x  ?   ?       ?      ? 
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1 1 1   27    8   19 o   35.627   8.5967 8.567898 17.19333 
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1 1 1   27   10    4 o   48.586   6.3397 1.215588 12.67932 
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1 1 1   27   10    8 o  100.144   3.1327 10.63481 6.265306 
1 1 1   27   10    9 o   52.063   5.9806 8.104527 11.96113 
1 1 1   27   10   10 o   63.949   5.0379 9.408955 10.07579 
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1 1 1   27   10   12 o   90.664   3.6287 0.2478485 7.257493 
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1 1 1   27   10   14 f   57.662   5.7117 -1.872555 11.42349 
1 1 1   27   10   15 o   43.231   7.6118 1.210598 15.22356 
1 1 1   27   10   16 o   56.564   6.1839 -14.53567 12.36777 
1 1 1   27   10   17 o   43.943   8.9025 -18.04366 17.80509 
1 1 1   27   10   18 o   79.280   4.5120 -1.363029 9.024002 
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1 1 1   27   10   21 o   36.390   8.6395 1.807907 17.27896 
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1 1 1   27   11    8 o   31.533   7.7525 2.560497 15.50506 
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1 1 1   27   11   10 o   96.144   3.6070 28.23576 7.213949 
1 1 1   27   11   11 o  120.993   2.7435 2.169861 5.486909 
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1 1 1   27   11   14 o   92.367   3.6394 -7.287537 7.278756 
1 1 1   27   11   15 o   62.852   5.2904 12.37696 10.58079 
1 1 1   27   11   16 o  156.299   2.5813 8.270905 5.162662 
1 1 1   27   11   17 o   38.032   7.0539 31.26048 14.10786 
1 1 1   27   11   18 o   95.544   3.7476 0.2212601 7.495176 
1 1 1   27   11   19 o   94.527   4.2635 -9.664360 8.527066 
1 1 1   27   11   20 o   69.723   5.2914 -1.387505 10.58282 
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1 1 1   27   11   22 o   77.562   5.1134 8.591385 10.22688 
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1 1 1   27   12    4 o  255.584   1.8447 0.7797699 3.689472 
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1 1 1   27   12    6 o  107.917   2.8777 -1.145950 5.755478 
1 1 1   27   12    7 o   26.025   7.3913 -8.113443 14.78263 
1 1 1   27   12    8 o  180.268   2.0007 3.237778 4.001324 
1 1 1   27   12    9 o   90.190   3.8529 17.81809 7.705754 
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1 1 1   27   12   11 f  100.820   3.2585 -3.768883 6.517099 
1 1 1   27   12   12 o  192.051   2.0311 0.8837738 4.062226 
1 1 1   27   12   13 o  139.290   2.5244 2.766785 5.048713 
1 1 1   27   12   14 o  125.466   2.7342 -4.342888 5.468441 
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1 1 1   27   12   16 o   16.961   5.8650 -3.008464 11.73002 
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1 1 1   27   12   18 o  148.830   2.5579 4.278641 5.115769 
1 1 1   27   12   19 o   42.456   8.1448 3.484138 16.28961 
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1 1 1   27   13    3 o  243.510   1.8608 -1.676910 3.721577 
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1 1 1   27   13    5 o   65.530   4.7371 -13.67306 9.474253 
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1 1 1   27   13    7 o  137.347   2.7249 15.08170 5.449731 
1 1 1   27   13    8 o   24.858   7.3618 -1.311123 14.72355 
1 1 1   27   13    9 o   14.715   5.1873 -2.594941 10.37455 
1 1 1   27   13   10 o   38.037   7.4867 -14.82255 14.97343 
1 1 1   27   13   11 o   64.341   4.9508 -1.991001 9.901690 
1 1 1   27   13   12 o   55.390   5.7358 -1.835049 11.47163 
1 1 1   27   13   13 o  116.840   2.8985 -0.5027771E-02 5.797081 
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1 1 1   27   13   16 o   72.941   4.7967 18.73045 9.593319 
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1 1 1   27   13   20 o   49.565   7.4729 14.18561 14.94573 
1 1 1   27   13   21 o   39.096   8.4404 -11.68842 16.88089 
1 1 1   27   13   22 o   33.100   8.3398 -12.88282 16.67960 
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1 1 1   27   14    4 o   63.856   5.0667 22.22318 10.13341 
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1 1 1   27   14    9 o   68.787   4.5249 -12.90858 9.049795 
1 1 1   27   14   10 o   41.764   7.3418 -9.329651 14.68366 
1 1 1   27   14   11 o   33.177   7.6712 -11.39594 15.34230 
1 1 1   27   14   12 o  115.282   2.9659 1.978867 5.931716 
1 1 1   27   14   13 o   84.506   3.9137 8.608833 7.827381 
1 1 1   27   14   14 o  110.282   3.0596 -4.361893 6.119144 
1 1 1   27   14   15 f   45.714   7.4278 2.254353 14.85550 
1 1 1   27   14   16 o   74.731   4.5469 3.037109 9.093750 
1 1 1   27   14   17 o   93.320   3.7844 -8.998474 7.568750 
1 1 1   27   14   18 o   90.962   3.9802 0.7453842 7.960330 
1 1 1   27   14   19 o   96.044   3.9223 4.372414 7.844667 
1 1 1   27   14   20 o  137.851   2.8888 0.8247833 5.777617 
1 1 1   27   14   21 o   26.901   8.0712 0.7170296 16.14244 
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1 1 1   27   15    2 o  232.566   1.8710 1.346283 3.741951 
1 1 1   27   15    3 o   59.496   5.2259 8.002415 10.45182 
1 1 1   27   15    4 o  208.947   1.9211 -4.989716 3.842123 
1 1 1   27   15    5 o   87.584   3.5810 -1.899689 7.161921 
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1 1 1   27   15    7 o  166.245   2.1317 -6.649994 4.263450 
1 1 1   27   15    8 o   31.194   7.7923 1.251671 15.58454 
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1 1 1   27   15   10 o   86.390   3.6762 1.141960 7.352359 
1 1 1   27   15   11 o   53.726   7.0778 -15.44927 14.15555 
1 1 1   27   15   12 f  153.084   2.6316 -2.365662 5.263124 
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1 1 1   27   15   15 f   54.259   7.2619 -2.754128 14.52378 
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1 1 1   27   15   17 o   76.418   4.6377 -9.248642 9.275491 
1 1 1   27   15   18 o  105.150   3.4334 2.380028 6.866839 
1 1 1   27   15   19 o  108.614   3.4081 -4.974709 6.816284 
1 1 1   27   15   20 o   79.768   5.4550 24.74389 10.91001 
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1 1 1   27   16    5 o   60.696   5.0217 -4.408150 10.04333 
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1 1 1   27   16    7 o   91.544   3.3659 2.772560 6.731794 
1 1 1   27   16    8 o   99.045   3.6368 5.144249 7.273698 
1 1 1   27   16    9 o   93.337   3.3636 3.774010 6.727166 
1 1 1   27   16   10 o   70.211   4.4572 1.794289 8.914334 
1 1 1   27   16   11 o   96.021   3.3967 0.5268478 6.793489 
1 1 1   27   16   12 o   75.542   4.3164 4.536987 8.632864 
1 1 1   27   16   13 o   31.800   8.0504 4.739304 16.10075 
1 1 1   27   16   14 o   56.921   5.8855 -2.412777 11.77106 
1 1 1   27   16   15 o   94.448   3.7002 -2.478081 7.400482 
1 1 1   27   16   16 o   66.957   5.1926 6.686726 10.38516 
1 1 1   27   16   17 o   53.715   6.7691 16.45220 13.53821 
1 1 1   27   16   18 o   39.389   9.0268 1.423637 18.05370 
1 1 1   27   16   19 o  121.216   3.6718 -18.33324 7.343618 
1 1 1   27   16   20 o   35.683   8.4467 -12.17132 16.89345 
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1 1 1   27   17    6 o   34.680   7.7855 6.182228 15.57110 
1 1 1   27   17    7 o  124.626   2.5947 5.064156 5.189452 
1 1 1   27   17    8 o   63.231   4.7930 -4.933098 9.586024 
1 1 1   27   17    9 o   93.753   3.3709 0.9887772 6.741792 
1 1 1   27   17   10 o   18.217   6.1448 4.210224 12.28958 
1 1 1   27   17   11 f  104.701   3.1624 6.977074 6.324857 
1 1 1   27   17   12 o   49.396   6.7625 -7.205612 13.52495 
1 1 1   27   17   13 o  101.100   3.3805 -6.528687 6.761022 
1 1 1   27   17   14 o  114.992   3.0948 -1.730034 6.189647 
1 1 1   27   17   15 o  108.425   3.2668 7.804291 6.533548 
1 1 1   27   17   16 o   56.541   6.2340 -7.350750 12.46809 
1 1 1   27   17   17 o   60.002   5.9980 7.273624 11.99604 
1 1 1   27   17   18 o   23.634   7.4529 -7.513334 14.90579 
1 1 1   27   17   19 o   20.793   6.9478 4.541300 13.89557 
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1 1 1   27   18    4 o  143.475   2.3348 -6.250778 4.669641 
1 1 1   27   18    5 o   68.834   5.1412 1.531334 10.28245 
1 1 1   27   18    6 o   63.698   4.9097 -9.923153 9.819420 
1 1 1   27   18    7 o   38.577   7.7924 -10.48344 15.58488 
1 1 1   27   18    8 o  125.359   2.6451 -2.565453 5.290290 
1 1 1   27   18    9 o   80.713   3.9586 -8.988152 7.917176 
1 1 1   27   18   10 f   82.907   4.4679 9.044899 8.935766 
1 1 1   27   18   11 o   86.740   3.8120 11.28775 7.623973 
1 1 1   27   18   12 o  128.611   2.7033 2.486641 5.406555 
1 1 1   27   18   13 o   91.525   3.6674 -4.155930 7.334715 
1 1 1   27   18   14 o   39.307   7.6426 -14.48859 15.28513 
1 1 1   27   18   15 o   40.356   7.7038 -8.340046 15.40761 
1 1 1   27   18   16 o   77.992   4.4076 0.9428635 8.815229 
1 1 1   27   18   17 o   62.539   5.5315 -11.01827 11.06306 
1 1 1   27   18   18 o   88.744   6.1952 -45.72228 12.39031 
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1 1 1   27   19    2 o  102.193   3.5483 23.33943 7.096657 
1 1 1   27   19    3 o   77.946   4.5653 -12.37396 9.130555 
1 1 1   27   19    4 o   47.086   6.7832 -20.98362 13.56646 
1 1 1   27   19    5 o   64.252   4.9034 -2.602932 9.806743 
1 1 1   27   19    6 o   63.770   4.9000 1.059345 9.799964 
1 1 1   27   19    7 o   88.601   3.6435 7.454765 7.286974 
1 1 1   27   19    8 f   97.340   3.6892 -10.60824 7.378445 
1 1 1   27   19    9 o  117.519   2.8589 -0.4960098 5.717829 
1 1 1   27   19   10 o   30.900   8.2042 -0.7817192 16.40844 
1 1 1   27   19   11 o  149.078   2.6313 -9.404755 5.262667 
1 1 1   27   19   12 f   61.846   5.2448 4.953217 10.48962 
1 1 1   27   19   13 o   30.787   7.9487 -3.402475 15.89745 
1 1 1   27   19   14 o  108.368   3.1094 -4.354790 6.218721 
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1 1 1   27   19   16 o   26.385   7.7293 4.088552 15.45851 
1 1 1   27   19   17 x  ?   ?       ?      ? 
1 1 1   27   20    0 o  110.984   4.2153 0.000000 0.000000 
1 1 1   27   20    1 o   60.242   5.3537 -15.52278 10.70741 
1 1 1   27   20    2 o   65.854   4.8698 6.949448 9.739698 
1 1 1   27   20    3 o   57.059   5.6029 -8.920059 11.20579 
1 1 1   27   20    4 o   65.470   4.8892 -0.8111877 9.778320 
1 1 1   27   20    5 f   84.234   3.8138 -0.4975128E-01 7.627589 
1 1 1   27   20    6 o  132.767   2.5578 -0.4870148 5.115643 
1 1 1   27   20    7 o   88.062   3.7137 5.524925 7.427457 
1 1 1   27   20    8 f   67.778   4.8484 2.977966 9.696816 
1 1 1   27   20    9 o   35.005   7.6545 -13.76270 15.30895 
1 1 1   27   20   10 o  157.841   2.3078 -2.580307 4.615605 
1 1 1   27   20   11 o   48.528   6.8423 5.245689 13.68459 
1 1 1   27   20   12 o   31.101   7.5491 17.65212 15.09823 
1 1 1   27   20   13 o  119.559   2.9726 2.615479 5.945222 
1 1 1   27   20   14 o   56.511   6.3874 -7.311153 12.77473 
1 1 1   27   20   15 o   42.984   8.0862 -12.25312 16.17240 
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1 1 1   27   21    1 o   55.468   5.6988 -3.026150 11.39753 
1 1 1   27   21    2 f   83.156   3.9118 0.9900742 7.823605 
1 1 1   27   21    3 o  113.217   3.4544 -11.01440 6.908837 
1 1 1   27   21    4 f   36.832   7.8759 -10.28641 15.75188 
1 1 1   27   21    5 o   98.772   3.4445 -1.216522 6.889064 
1 1 1   27   21    6 o   83.389   3.9793 1.734108 7.958554 
1 1 1   27   21    7 o   25.577   7.1925 13.14158 14.38500 
1 1 1   27   21    8 o   23.549   7.1686 8.083834 14.33724 
1 1 1   27   21    9 o   28.215   7.7821 1.948406 15.56420 
1 1 1   27   21   10 o   71.710   4.6285 -2.804932 9.256910 
1 1 1   27   21   11 o   28.138   7.8675 -6.673145 15.73507 
1 1 1   27   21   12 o   20.719   6.7562 -9.620836 13.51244 
1 1 1   27   21   13 o   35.166   8.4162 8.399906 16.83250 
1 1 1   27   21   14 o   81.479   6.2516 16.00223 12.50325 
1 1 1   27   22    0 o   57.015   9.3599 0.000000 0.000000 
1 1 1   27   22    1 o   35.478   7.5345 16.87162 15.06895 
1 1 1   27   22    2 o   62.500   5.2079 -5.322056 10.41575 
1 1 1   27   22    3 o   26.696   7.6767 -6.963387 15.35346 
1 1 1   27   22    4 o   81.741   4.2154 16.01208 8.430821 
1 1 1   27   22    5 o   53.539   6.9301 13.64879 13.86020 
1 1 1   27   22    6 o   93.587   3.6036 4.642563 7.207123 
1 1 1   27   22    7 o   64.066   5.2236 9.270115 10.44724 
1 1 1   27   22    8 o  107.413   3.2172 4.905472 6.434392 
1 1 1   27   22    9 o   76.396   4.5402 -3.391891 9.080338 
1 1 1   27   22   10 o   44.340   7.9697 5.153992 15.93937 
1 1 1   27   22   11 o   47.885   7.8045 -8.902302 15.60896 
1 1 1   27   22   12 o  108.955   3.5133 -14.44145 7.026505 
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1 1 1   27   23    1 f   63.531   5.7629 23.93644 11.52578 
1 1 1   27   23    2 o   34.123   8.6458 -2.925323 17.29165 
1 1 1   27   23    3 o   24.397   7.4135 7.974966 14.82705 
1 1 1   27   23    4 o  187.187   2.1954 1.740753 4.390878 
1 1 1   27   23    5 o   74.126   4.7228 -9.629738 9.445523 
1 1 1   27   23    6 o   34.548   8.0396 -12.42117 16.07915 
1 1 1   27   23    7 o   84.734   4.2524 9.595512 8.504725 
1 1 1   27   23    8 o   91.430   3.9550 4.926765 7.910091 
1 1 1   27   23    9 o   95.682   3.9281 4.860023 7.856267 
1 1 1   27   23   10 o   38.378   7.8170 -24.47333 15.63407 
1 1 1   27   24    0 o  124.630   4.5322 0.000000 0.000000 
1 1 1   27   24    1 o  113.797   3.4139 -2.509583 6.827745 
1 1 1   27   24    2 o   56.810   6.8693 -2.766376 13.73856 
1 1 1   27   24    3 o  128.226   3.1249 1.484764 6.249777 
1 1 1   27   24    4 o   52.993   7.2683 -18.47858 14.53660 
1 1 1   27   24    5 o  115.077   3.4111 3.189445 6.822278 
1 1 1   27   24    6 o   62.457   6.7309 -25.47772 13.46189 
1 1 1   27   24    7 o   80.472   4.7652 -5.922333 9.530416 
1 1 1   27   24    8 x  ?   ?       ?      ? 
1 1 1   27   25    0 o   80.024   10.235 0.000000 0.000000 
1 1 1   27   25    1 o   75.212   7.7258 37.95803 15.45163 
1 1 1   27   25    2 o   29.060   8.6837 -2.597773 17.36740 
1 1 1   27   25    3 f   19.682   6.7265 -5.613310 13.45292 
1 1 1   28    0    0 o  176.401   3.8520 0.000000 0.000000 
1 1 1   28    0    1 o   29.646   10.755 0.000000 0.000000 
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1 1 1   28    0    3 o  278.997   2.6384 0.000000 0.000000 
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1 1 1   28    0    6 o   23.471   9.8887 0.000000 0.000000 
1 1 1   28    0    7 o   17.518   8.7416 0.000000 0.000000 
1 1 1   28    0    8 o   90.980   4.6707 0.000000 0.000000 
1 1 1   28    0    9 f  243.185   2.6458 0.000000 0.000000 
1 1 1   28    0   10 o  107.400   4.4602 0.000000 0.000000 
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1 1 1   28    1    0 o  106.815   4.0992 0.000000 0.000000 
1 1 1   28    1    1 o  139.193   2.4858 2.135330 4.971542 
1 1 1   28    1    2 o  120.275   2.6048 9.163528 5.209634 
1 1 1   28    1    3 o   65.927   5.0903 5.393890 10.18051 
1 1 1   28    1    4 f  100.089   3.1148 -2.229874 6.229667 
1 1 1   28    1    5 o   17.013   5.7955 -1.442345 11.59090 
1 1 1   28    1    6 o   90.705   3.2345 -3.134460 6.469050 
1 1 1   28    1    7 f   20.314   6.5094 8.811764 13.01872 
1 1 1   28    1    8 o  135.156   2.4368 -0.4398651 4.873528 
1 1 1   28    1    9 o  114.273   2.8719 -2.593353 5.743849 
1 1 1   28    1   10 o  302.667   1.9662 3.379242 3.932340 
1 1 1   28    1   11 o   33.189   7.0746 -25.03671 14.14912 
1 1 1   28    1   12 o   36.282   7.4819 -17.11540 14.96381 
1 1 1   28    1   13 o   99.410   3.4088 11.73409 6.817640 
1 1 1   28    1   14 o  110.479   3.1204 -5.999313 6.240864 
1 1 1   28    1   15 o   65.410   5.2379 -1.583000 10.47578 
1 1 1   28    1   16 o  129.425   2.7296 -9.570473 5.459106 
1 1 1   28    1   17 o   32.879   8.0670 8.506340 16.13395 
1 1 1   28    1   18 o   92.069   4.0747 3.807587 8.149334 
1 1 1   28    1   19 o  142.075   2.6912 2.857330 5.382482 
1 1 1   28    1   20 o   23.387   7.4140 -1.517666 14.82808 
1 1 1   28    1   21 o  114.547   3.4084 -2.610832 6.816731 
1 1 1   28    1   22 f   98.869   3.9897 -0.4793167 7.979431 
1 1 1   28    1   23 o   26.651   8.0376 4.295786 16.07514 
1 1 1   28    1   24 o   57.403   7.1472 -26.60028 14.29432 
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1 1 1   28    2    2 o  102.084   2.9821 0.6609802 5.964142 
1 1 1   28    2    3 o   27.702   7.7112 3.187975 15.42248 
1 1 1   28    2    4 o  116.291   2.7114 7.143806 5.422832 
1 1 1   28    2    5 o  133.831   2.4076 -1.184158 4.815140 
1 1 1   28    2    6 o  207.739   1.8964 -1.250793 3.792832 
1 1 1   28    2    7 o  125.605   2.5423 0.5728760 5.084517 
1 1 1   28    2    8 o  145.792   2.5009 -4.689560 5.001716 
1 1 1   28    2    9 f  110.859   2.9837 -10.51041 5.967350 
1 1 1   28    2   10 o  115.249   2.7556 -1.953964 5.511251 
1 1 1   28    2   11 o  138.994   2.6984 -3.025238 5.396792 
1 1 1   28    2   12 o   68.401   4.8349 -1.669807 9.669785 
1 1 1   28    2   13 o   46.721   7.1413 32.55619 14.28270 
1 1 1   28    2   14 o  131.035   2.7088 2.636414 5.417694 
1 1 1   28    2   15 o   43.612   7.6390 -10.20463 15.27799 
1 1 1   28    2   16 o  135.769   2.6580 -0.2969666 5.316053 
1 1 1   28    2   17 o   59.074   5.8407 10.99946 11.68139 
1 1 1   28    2   18 o  139.503   2.6883 2.282791 5.376624 
1 1 1   28    2   19 o   48.877   7.6070 -6.180492 15.21400 
1 1 1   28    2   20 o   64.142   5.9127 -16.29895 11.82532 
1 1 1   28    2   21 o  101.005   3.8444 1.735794 7.688829 
1 1 1   28    2   22 o   29.258   8.4252 1.643518 16.85048 
1 1 1   28    2   23 o  106.754   3.7012 1.559731 7.402423 
1 1 1   28    2   24 o   59.422   6.8729 16.25630 13.74577 
1 1 1   28    3    0 f   90.756   4.7716 0.000000 0.000000 
1 1 1   28    3    1 o  158.150   2.2551 2.307236 4.510129 
1 1 1   28    3    2 o   79.666   3.6234 0.7637177 7.246774 
1 1 1   28    3    3 o  161.716   2.0650 1.666916 4.130061 
1 1 1   28    3    4 o   76.589   3.9615 -4.377213 7.922984 
1 1 1   28    3    5 o   42.630   7.3706 1.216358 14.74117 
1 1 1   28    3    6 o  103.100   2.9696 -3.642967 5.939222 
1 1 1   28    3    7 o  251.712   1.8674 -2.492004 3.734831 
1 1 1   28    3    8 o   75.555   3.9840 -10.02461 7.968020 
1 1 1   28    3    9 o  116.437   2.7746 2.841637 5.549241 
1 1 1   28    3   10 o   99.464   3.1988 -2.360725 6.397583 
1 1 1   28    3   11 o  194.531   2.0297 -6.161133 4.059469 
1 1 1   28    3   12 o   36.328   8.2062 14.62252 16.41243 
1 1 1   28    3   13 o   51.440   6.8872 -19.95444 13.77432 
1 1 1   28    3   14 o   37.187   8.0877 0.3323326 16.17534 
1 1 1   28    3   15 o  220.315   1.9909 3.721191 3.981787 
1 1 1   28    3   16 o  101.989   3.4744 -8.147377 6.948821 
1 1 1   28    3   17 o   28.573   7.9639 7.054052 15.92777 
1 1 1   28    3   18 o   21.574   7.0146 1.499075 14.02922 
1 1 1   28    3   19 o   92.142   3.9894 -3.173172 7.978758 
1 1 1   28    3   20 o  161.949   2.4901 -3.352310 4.980121 
1 1 1   28    3   21 o   69.652   5.4756 -14.18504 10.95117 
1 1 1   28    3   22 o   77.496   4.9913 10.81403 9.982573 
1 1 1   28    3   23 o  131.600   3.0823 0.9992981 6.164545 
1 1 1   28    3   24 o  124.790   3.6950 13.48694 7.389960 
1 1 1   28    4    0 o  186.861   2.6952 0.000000 0.000000 
1 1 1   28    4    1 o  163.369   2.0266 4.138290 4.053101 
1 1 1   28    4    2 o  146.777   2.2147 1.759537 4.429364 
1 1 1   28    4    3 o  165.301   2.2337 3.518631 4.467318 
1 1 1   28    4    4 o  152.318   2.1309 -4.336838 4.261810 
1 1 1   28    4    5 o   86.974   3.5630 19.30186 7.126000 
1 1 1   28    4    6 o  153.387   2.2302 3.091415 4.460453 
1 1 1   28    4    7 o   50.150   6.7011 -13.10208 13.40226 
1 1 1   28    4    8 o  247.173   1.8790 0.1753998 3.757983 
1 1 1   28    4    9 o  196.077   1.9569 -3.625931 3.913779 
1 1 1   28    4   10 o  182.530   2.0878 -3.341629 4.175528 
1 1 1   28    4   11 o   71.706   4.5461 1.243156 9.092100 
1 1 1   28    4   12 o   62.781   5.6520 13.54505 11.30403 
1 1 1   28    4   13 o   21.007   6.8541 1.298315 13.70814 
1 1 1   28    4   14 o  122.861   3.1934 2.891083 6.386784 
1 1 1   28    4   15 o  118.826   2.9125 -5.634628 5.824905 
1 1 1   28    4   16 o   75.311   4.6679 -14.77843 9.335889 
1 1 1   28    4   17 o  240.090   1.9937 4.517212 3.987385 
1 1 1   28    4   18 o   37.114   8.3294 -4.614494 16.65886 
1 1 1   28    4   19 o  119.002   3.1477 -5.255035 6.295426 
1 1 1   28    4   20 o   93.735   4.1082 9.628166 8.216466 
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1 1 1   28    4   22 o  119.679   3.3525 -4.551369 6.705080 
1 1 1   28    4   23 o  142.336   2.8502 -6.358505 5.700477 
1 1 1   28    4   24 o   20.510   6.8621 3.022779 13.72421 
1 1 1   28    5    0 o   13.676   6.9778 0.000000 0.000000 
1 1 1   28    5    1 o   26.079   7.2226 9.659355 14.44513 
1 1 1   28    5    2 o   24.020   7.0963 5.664928 14.19270 
1 1 1   28    5    3 o   73.755   4.0755 14.60738 8.150987 
1 1 1   28    5    4 o   71.902   4.1804 -5.010994 8.360716 
1 1 1   28    5    5 o   40.318   7.6230 6.622250 15.24600 
1 1 1   28    5    6 o   22.702   7.0372 3.518248 14.07446 
1 1 1   28    5    7 o   82.599   3.6102 -9.583488 7.220314 
1 1 1   28    5    8 o   97.549   3.2123 -10.42075 6.424607 
1 1 1   28    5    9 o  215.479   1.9275 4.637192 3.855037 
1 1 1   28    5   10 o  105.598   3.2896 -2.500221 6.579287 
1 1 1   28    5   11 o   85.032   4.3646 14.44144 8.729187 
1 1 1   28    5   12 o  152.855   2.3570 5.645187 4.713997 
1 1 1   28    5   13 o   64.644   5.2737 5.978519 10.54748 
1 1 1   28    5   14 o   63.047   5.2406 11.86275 10.48124 
1 1 1   28    5   15 o   63.045   5.4674 -10.01634 10.93490 
1 1 1   28    5   16 o   82.966   4.1497 -11.77666 8.299485 
1 1 1   28    5   17 o   57.672   6.3408 -16.26447 12.68155 
1 1 1   28    5   18 o   82.794   4.3352 11.89409 8.670433 
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1 1 1   28    5   20 o   45.739   7.6451 -21.12791 15.29020 
1 1 1   28    5   21 o   31.725   8.0003 -17.24026 16.00068 
1 1 1   28    5   22 o   38.968   8.7094 0.1799088 17.41889 
1 1 1   28    5   23 o   57.754   6.7296 8.812481 13.45923 
1 1 1   28    5   24 x  ?   ?       ?      ? 
1 1 1   28    6    0 o  165.621   2.8932 0.000000 0.000000 
1 1 1   28    6    1 o  192.828   1.9068 1.660370 3.813700 
1 1 1   28    6    2 o  139.390   2.3026 -4.489609 4.605104 
1 1 1   28    6    3 o  249.172   1.8248 0.6401978 3.649631 
1 1 1   28    6    4 o  121.227   2.6012 1.162888 5.202465 
1 1 1   28    6    5 o  129.630   2.4867 -2.730148 4.973422 
1 1 1   28    6    6 o   70.128   4.2578 11.12421 8.515569 
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1 1 1   28    6    8 o  178.600   2.0104 0.8867493 4.020857 
1 1 1   28    6    9 f   94.671   3.3303 4.345055 6.660668 
1 1 1   28    6   10 o  106.379   3.0237 -5.406357 6.047384 
1 1 1   28    6   11 o  195.815   2.3120 -7.162521 4.624063 
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1 1 1   28    6   14 o  246.861   1.9738 -1.339478 3.947508 
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1 1 1   28    6   16 o   89.155   3.8190 0.5936050 7.637956 
1 1 1   28    6   17 o   24.719   7.5352 2.113855 15.07046 
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1 1 1   28    6   20 o   27.788   8.1212 -0.5273399 16.24244 
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1 1 1   28    6   22 f   62.636   6.2719 -9.737095 12.54370 
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1 1 1   28    7    0 o  244.970   2.5459 0.000000 0.000000 
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1 1 1   28    7    2 o  129.908   2.4411 1.688339 4.882205 
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1 1 1   28    7    4 o  127.433   2.5195 -2.416672 5.039055 
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1 1 1   28    7   15 o  208.754   2.0552 -1.974503 4.110412 
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1 1 1   28    8    5 o  106.223   2.9449 5.438194 5.889832 
1 1 1   28    8    6 o   35.058   7.6399 3.367893 15.27979 
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1 1 1   28    8    8 o  172.505   2.1012 -2.457947 4.202460 
1 1 1   28    8    9 o   37.775   7.3127 16.92611 14.62531 
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1 1 1   28    8   11 o   68.711   4.7296 4.489166 9.459256 
1 1 1   28    8   12 o  104.106   3.2650 6.257217 6.530030 
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1 1 1   28    8   17 o   63.827   5.5812 3.849998 11.16236 
1 1 1   28    8   18 o   65.868   5.4195 -1.444618 10.83901 
1 1 1   28    8   19 o   48.288   7.3389 19.86325 14.67771 
1 1 1   28    8   20 o   30.579   8.1393 -10.23833 16.27863 
1 1 1   28    8   21 o   56.628   7.5179 -5.746410 15.03583 
1 1 1   28    8   22 o  127.050   3.3763 -9.398788 6.752672 
1 1 1   28    8   23 o   33.031   8.3451 -14.62671 16.69021 
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1 1 1   28    9    3 o   83.492   3.6195 2.349106 7.239058 
1 1 1   28    9    4 o   49.156   6.1921 11.55729 12.38422 
1 1 1   28    9    5 o   66.803   4.5340 1.534355 9.068095 
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1 1 1   28    9    7 o   17.086   5.9300 -3.572459 11.85990 
1 1 1   28    9    8 o   37.199   7.8522 -5.702637 15.70443 
1 1 1   28    9    9 o  148.708   2.4677 15.43507 4.935485 
1 1 1   28    9   10 o  180.616   2.0874 3.842834 4.174797 
1 1 1   28    9   11 o  100.443   3.2428 -7.269882 6.485597 
1 1 1   28    9   12 o  136.303   2.5157 3.248596 5.031453 
1 1 1   28    9   13 o   53.680   6.6673 -22.16838 13.33463 
1 1 1   28    9   14 o   83.241   4.0796 -9.503624 8.159135 
1 1 1   28    9   15 o   33.539   8.3157 6.033739 16.63148 
1 1 1   28    9   16 o  158.527   2.6648 13.45778 5.329551 
1 1 1   28    9   17 o   55.204   6.6142 -17.92485 13.22844 
1 1 1   28    9   18 o   80.342   4.3524 13.06078 8.704860 
1 1 1   28    9   19 o   67.361   6.4379 -30.74327 12.87577 
1 1 1   28    9   20 o   47.353   7.8905 0.2349854E-01 15.78093 
1 1 1   28    9   21 o   98.367   4.0112 -13.32262 8.022472 
1 1 1   28    9   22 o   46.264   7.9095 18.23040 15.81891 
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1 1 1   28   10    1 o  131.398   2.4230 2.555695 4.846081 
1 1 1   28   10    2 o  108.943   2.8043 3.130219 5.608577 
1 1 1   28   10    3 o   51.411   5.9208 7.211826 11.84166 
1 1 1   28   10    4 o  156.183   2.1733 -2.461731 4.346567 
1 1 1   28   10    5 o  110.370   2.8459 -7.559906 5.691740 
1 1 1   28   10    6 o   47.546   6.9144 0.4605751 13.82878 
1 1 1   28   10    7 o   80.786   4.6571 20.59502 9.314210 
1 1 1   28   10    8 o   98.398   3.4348 12.54513 6.869540 
1 1 1   28   10    9 o   30.501   7.8389 0.5655365 15.67790 
1 1 1   28   10   10 o   97.944   3.3177 1.880661 6.635455 
1 1 1   28   10   11 o   17.244   5.8985 4.054582 11.79709 
1 1 1   28   10   12 o   85.283   3.8253 2.276741 7.650518 
1 1 1   28   10   13 o  224.141   1.9716 -2.826340 3.943237 
1 1 1   28   10   14 o   95.649   3.5480 6.565666 7.095971 
1 1 1   28   10   15 o   83.137   4.3960 1.856773 8.791929 
1 1 1   28   10   16 o   36.764   8.1923 -4.598228 16.38453 
1 1 1   28   10   17 o   21.905   7.0026 -5.659119 14.00520 
1 1 1   28   10   18 o   37.466   7.2837 -26.10753 14.56745 
1 1 1   28   10   19 o   25.558   7.7316 7.517830 15.46314 
1 1 1   28   10   20 o   23.839   7.5991 1.213993 15.19823 
1 1 1   28   10   21 f   26.201   8.3023 -12.98726 16.60460 
1 1 1   28   10   22 o   99.419   3.7176 -1.856216 7.435194 
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1 1 1   28   11    1 f  132.362   2.4106 -3.609970 4.821295 
1 1 1   28   11    2 o  114.583   2.7584 0.7755432 5.516729 
1 1 1   28   11    3 o  174.401   2.0349 1.475922 4.069829 
1 1 1   28   11    4 o  112.090   2.8517 -3.738167 5.703335 
1 1 1   28   11    5 o  130.602   2.7067 31.28398 5.413386 
1 1 1   28   11    6 o   78.396   5.8876 19.27395 11.77522 
1 1 1   28   11    7 o   28.524   7.6516 8.222242 15.30325 
1 1 1   28   11    8 o   49.834   6.4260 -13.24682 12.85208 
1 1 1   28   11    9 f  110.042   2.9404 2.391068 5.880808 
1 1 1   28   11   10 f   97.913   3.6038 -14.74393 7.207608 
1 1 1   28   11   11 o  158.447   2.2436 3.017960 4.487120 
1 1 1   28   11   12 o   33.413   8.0031 -2.026463 16.00613 
1 1 1   28   11   13 o  143.108   2.4655 11.70937 4.931081 
1 1 1   28   11   14 o   53.659   7.1942 3.718311 14.38850 
1 1 1   28   11   15 o   61.103   5.5868 -7.049950 11.17359 
1 1 1   28   11   16 o   53.454   6.6182 13.79788 13.23637 
1 1 1   28   11   17 o  121.759   3.3127 -1.882149 6.625462 
1 1 1   28   11   18 o   29.873   8.2866 1.078653 16.57320 
1 1 1   28   11   19 o   41.925   8.5012 -3.818516 17.00240 
1 1 1   28   11   20 o   35.275   8.5920 8.700724 17.18407 
1 1 1   28   11   21 o   90.366   4.2386 -10.23491 8.477283 
1 1 1   28   12    0 o  183.946   2.8415 0.000000 0.000000 
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1 1 1   28   12    2 o  139.353   2.7934 -4.019760 5.586756 
1 1 1   28   12    3 o   79.524   4.3919 16.39337 8.783807 
1 1 1   28   12    4 o  174.428   2.0609 0.8789825 4.121755 
1 1 1   28   12    5 o  100.355   3.1345 -0.5031586 6.268991 
1 1 1   28   12    6 o   16.218   5.6198 0.5668879 11.23957 
1 1 1   28   12    7 o   61.250   5.1059 14.49833 10.21175 
1 1 1   28   12    8 o  117.349   2.7308 -1.379059 5.461585 
1 1 1   28   12    9 o   89.056   3.5019 -2.031960 7.003817 
1 1 1   28   12   10 o   83.348   3.7905 -8.067810 7.580995 
1 1 1   28   12   11 o   67.128   4.9119 -11.42943 9.823777 
1 1 1   28   12   12 o   28.835   7.7619 -5.358452 15.52379 
1 1 1   28   12   13 o   98.832   3.3658 -6.698746 6.731624 
1 1 1   28   12   14 o  178.750   2.1803 5.947922 4.360513 
1 1 1   28   12   15 o  130.557   2.7468 -4.568008 5.493541 
1 1 1   28   12   16 o  123.035   2.9049 3.571121 5.809891 
1 1 1   28   12   17 o   27.759   7.9387 -5.459024 15.87731 
1 1 1   28   12   18 o   28.611   7.6874 17.63617 15.37476 
1 1 1   28   12   19 o   41.390   8.1684 23.99097 16.33680 
1 1 1   28   12   20 o   46.857   7.9921 2.841244 15.98425 
1 1 1   28   12   21 o   52.391   7.4830 -26.92169 14.96602 
1 1 1   28   13    0 o  234.381   2.6640 0.000000 0.000000 
1 1 1   28   13    1 o   59.990   5.3056 15.02426 10.61120 
1 1 1   28   13    2 o   41.318   7.3267 12.96337 14.65347 
1 1 1   28   13    3 o  223.429   1.8880 0.2711182 3.775976 
1 1 1   28   13    4 o  261.137   1.9008 -0.2870178 3.801611 
1 1 1   28   13    5 o  165.512   2.1114 0.5539856 4.222714 
1 1 1   28   13    6 o  116.310   2.7239 -0.3826599 5.447882 
1 1 1   28   13    7 o   64.231   4.8182 8.276676 9.636497 
1 1 1   28   13    8 f  189.925   1.9872 1.774139 3.974433 
1 1 1   28   13    9 o   99.091   3.1550 2.488342 6.309977 
1 1 1   28   13   10 o   28.969   7.7233 4.955647 15.44656 
1 1 1   28   13   11 o   93.804   3.4571 2.957741 6.914198 
1 1 1   28   13   12 o  104.352   3.7616 2.021408 7.523249 
1 1 1   28   13   13 o   64.947   5.2743 -8.119064 10.54852 
1 1 1   28   13   14 f  153.200   2.4050 5.847458 4.809921 
1 1 1   28   13   15 o   23.781   7.3301 7.707212 14.66029 
1 1 1   28   13   16 o   77.786   4.5272 -3.173256 9.054446 
1 1 1   28   13   17 o   52.928   7.0156 -8.297428 14.03122 
1 1 1   28   13   18 o  104.324   3.6311 6.814262 7.262123 
1 1 1   28   13   19 o   87.630   4.4423 -8.242249 8.884539 
1 1 1   28   13   20 o   84.225   5.2907 -11.72672 10.58143 
1 1 1   28   14    0 o   71.723   6.1124 0.000000 0.000000 
1 1 1   28   14    1 o  217.988   1.9052 -1.111618 3.810429 
1 1 1   28   14    2 o  140.352   2.3449 0.8419800 4.689895 
1 1 1   28   14    3 o  189.259   1.9633 1.662033 3.926658 
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1 1 1   28   14    6 o  151.227   2.2136 -8.932083 4.427286 
1 1 1   28   14    7 o  151.434   2.2319 3.289246 4.463819 
1 1 1   28   14    8 o  160.043   2.1735 -5.805023 4.346922 
1 1 1   28   14    9 o   22.112   6.9238 4.011898 13.84755 
1 1 1   28   14   10 o  145.553   2.3328 -3.662735 4.665567 
1 1 1   28   14   11 o   64.170   5.0392 1.055958 10.07830 
1 1 1   28   14   12 o   35.902   8.0279 -5.311188 16.05578 
1 1 1   28   14   13 o   74.438   4.4418 -3.229149 8.883572 
1 1 1   28   14   14 o  123.183   2.8078 0.7444763E-01 5.615602 
1 1 1   28   14   15 o  127.481   2.7813 4.948166 5.562653 
1 1 1   28   14   16 o   95.726   3.6656 7.375946 7.331206 
1 1 1   28   14   17 o  163.354   2.4791 3.853531 4.958131 
1 1 1   28   14   18 o   74.047   5.1340 -2.554131 10.26803 
1 1 1   28   14   19 o  176.543   2.7515 -24.69505 5.503046 
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1 1 1   28   15    3 f  128.751   2.4956 -2.144882 4.991283 
1 1 1   28   15    4 o  178.851   2.0312 3.566223 4.062338 
1 1 1   28   15    5 o  114.918   2.7675 -2.374481 5.534939 
1 1 1   28   15    6 o   45.741   6.9171 4.773228 13.83413 
1 1 1   28   15    7 o   85.087   3.6191 -6.105453 7.238262 
1 1 1   28   15    8 o  103.365   3.2725 7.623184 6.545050 
1 1 1   28   15    9 o   92.713   3.8647 8.778976 7.729355 
1 1 1   28   15   10 o   93.694   3.3971 -6.470512 6.794288 
1 1 1   28   15   11 o   96.483   3.4198 1.818382 6.839509 
1 1 1   28   15   12 o  129.044   2.6924 1.857224 5.384745 
1 1 1   28   15   13 o   42.747   7.6940 -6.609589 15.38797 
1 1 1   28   15   14 o   80.986   4.1636 4.198235 8.327215 
1 1 1   28   15   15 o   39.066   8.0750 -0.5932808 16.15005 
1 1 1   28   15   16 o   28.161   8.0937 2.609272 16.18740 
1 1 1   28   15   17 o   97.980   3.7471 3.071335 7.494291 
1 1 1   28   15   18 o  151.537   3.0368 -34.29623 6.073669 
1 1 1   28   15   19 x  ?   ?       ?      ? 
1 1 1   28   16    0 o   36.579   11.416 0.000000 0.000000 
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1 1 1   28   16    2 o   76.158   4.0350 3.940804 8.070101 
1 1 1   28   16    3 o   51.928   6.0802 5.184601 12.16031 
1 1 1   28   16    4 o  113.721   2.8132 -4.382149 5.626451 
1 1 1   28   16    5 o   34.201   7.6813 5.708921 15.36258 
1 1 1   28   16    6 o   52.282   6.5251 -0.3232422 13.05019 
1 1 1   28   16    7 o  117.953   2.7375 -0.9608688 5.475008 
1 1 1   28   16    8 o   37.336   7.3637 -17.05269 14.72734 
1 1 1   28   16    9 o   38.269   6.5234 30.44925 13.04671 
1 1 1   28   16   10 o   36.664   7.9014 -0.6799011 15.80281 
1 1 1   28   16   11 o   31.959   8.0746 0.4543591 16.14922 
1 1 1   28   16   12 o   74.864   4.4562 -8.039948 8.912413 
1 1 1   28   16   13 o   88.671   3.7830 4.415932 7.566039 
1 1 1   28   16   14 o   73.226   4.7833 -16.35102 9.566671 
1 1 1   28   16   15 o   38.727   6.6536 -33.32565 13.30729 
1 1 1   28   16   16 o   66.844   5.5308 -18.40770 11.06152 
1 1 1   28   16   17 o   49.549   7.2394 20.84914 14.47887 
1 1 1   28   16   18 o   18.963   6.5015 -6.759802 13.00306 
1 1 1   28   17    0 o   23.872   9.7545 0.000000 0.000000 
1 1 1   28   17    1 o  104.731   3.0052 -2.510704 6.010375 
1 1 1   28   17    2 o   36.931   7.7279 -6.385685 15.45586 
1 1 1   28   17    3 o   75.210   6.7057 62.26594 13.41139 
1 1 1   28   17    4 o   87.581   4.5378 -2.712677 9.075611 
1 1 1   28   17    5 o   81.696   4.1276 15.01402 8.255151 
1 1 1   28   17    6 o   72.734   4.2546 5.575577 8.509140 
1 1 1   28   17    7 o   49.164   6.6345 17.39277 13.26898 
1 1 1   28   17    8 o   70.513   4.5072 -8.750427 9.014467 
1 1 1   28   17    9 o   38.505   7.4872 -18.41719 14.97437 
1 1 1   28   17   10 o   94.733   3.6124 1.420143 7.224784 
1 1 1   28   17   11 o   24.574   7.2660 12.48656 14.53195 
1 1 1   28   17   12 o   81.712   4.1320 -2.303986 8.263940 
1 1 1   28   17   13 o  109.658   3.2342 8.075912 6.468429 
1 1 1   28   17   14 o   39.734   8.0824 12.35488 16.16478 
1 1 1   28   17   15 o   31.824   8.4467 -5.487959 16.89346 
1 1 1   28   17   16 o  117.657   3.6771 -34.36875 7.354244 
1 1 1   28   17   17 o   31.440   8.3778 -15.07827 16.75563 
1 1 1   28   18    0 f   17.630   8.3697 0.000000 0.000000 
1 1 1   28   18    1 o  123.265   2.6603 -1.232742 5.320554 
1 1 1   28   18    2 o  126.278   2.6160 -2.520355 5.231978 
1 1 1   28   18    3 o   42.826   7.3053 -13.42581 14.61068 
1 1 1   28   18    4 o   30.822   7.8859 -2.340099 15.77177 
1 1 1   28   18    5 o  103.338   3.0789 2.294533 6.157778 
1 1 1   28   18    6 o   85.057   3.7930 13.44244 7.586086 
1 1 1   28   18    7 o   97.207   3.3901 -7.279083 6.780144 
1 1 1   28   18    8 o  132.037   2.6227 7.252914 5.245392 
1 1 1   28   18    9 o   42.172   7.5156 14.43377 15.03117 
1 1 1   28   18   10 o   75.218   4.4243 5.966400 8.848567 
1 1 1   28   18   11 o   43.799   7.7020 -7.367577 15.40401 
1 1 1   28   18   12 o  108.757   3.2436 14.32219 6.487272 
1 1 1   28   18   13 o   97.148   3.7091 14.13525 7.418297 
1 1 1   28   18   14 o   39.246   8.3067 6.729202 16.61349 
1 1 1   28   18   15 o   44.032   8.0708 -17.56127 16.14151 
1 1 1   28   18   16 o   28.196   7.6290 -22.55679 15.25804 
1 1 1   28   19    0 o  273.398   2.7431 0.000000 0.000000 
1 1 1   28   19    1 o   81.121   4.4009 -17.99658 8.801763 
1 1 1   28   19    2 o  102.428   3.2159 12.81635 6.431805 
1 1 1   28   19    3 o  124.188   2.6756 -1.264526 5.351226 
1 1 1   28   19    4 o   88.006   3.6662 3.266823 7.332374 
1 1 1   28   19    5 o  103.224   3.2181 4.263931 6.436239 
1 1 1   28   19    6 o   55.350   6.3636 -16.21202 12.72723 
1 1 1   28   19    7 o  160.240   2.2802 -3.411850 4.560399 
1 1 1   28   19    8 o   45.331   7.4392 5.316128 14.87847 
1 1 1   28   19    9 o  167.680   2.2423 -3.025253 4.484656 
1 1 1   28   19   10 o   81.184   4.2519 -13.92053 8.503808 
1 1 1   28   19   11 o   92.908   4.0792 -6.545570 8.158363 
1 1 1   28   19   12 o   82.893   4.7774 -6.072701 9.554843 
1 1 1   28   19   13 o   49.480   7.0823 -25.09926 14.16459 
1 1 1   28   19   14 o   25.312   7.1360 15.24757 14.27209 
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1 1 1   28   20    1 o  115.398   2.9328 -8.918434 5.865586 
1 1 1   28   20    2 o   76.272   4.3532 11.35931 8.706448 
1 1 1   28   20    3 o  140.840   2.4913 -7.586014 4.982683 
1 1 1   28   20    4 o   83.504   3.9572 10.92167 7.914483 
1 1 1   28   20    5 o  149.885   2.4238 -8.295013 4.847625 
1 1 1   28   20    6 o  139.363   2.5702 -4.765198 5.140330 
1 1 1   28   20    7 o   48.742   7.0268 13.98814 14.05365 
1 1 1   28   20    8 o   23.726   7.2752 6.167727 14.55032 
1 1 1   28   20    9 o  123.992   3.2056 -1.869965 6.411125 
1 1 1   28   20   10 o   57.562   6.2551 -16.48191 12.51026 
1 1 1   28   20   11 o   35.732   8.2030 -10.51920 16.40593 
1 1 1   28   20   12 f   28.390   7.9370 7.964468 15.87397 
1 1 1   28   20   13 o   19.453   6.6601 -11.96382 13.32020 
1 1 1   28   21    0 o   46.823   10.994 0.000000 0.000000 
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1 1 1   28   21    2 o   39.313   7.7477 -13.09636 15.49545 
1 1 1   28   21    3 o   64.124   5.2274 -10.92603 10.45489 
1 1 1   28   21    4 o  133.000   2.8622 4.222824 5.724403 
1 1 1   28   21    5 o   83.938   4.1831 9.192619 8.366225 
1 1 1   28   21    6 o  148.628   2.5169 0.8515167 5.033748 
1 1 1   28   21    7 o   29.382   7.7542 12.34272 15.50844 
1 1 1   28   21    8 o  104.618   3.4267 -2.193405 6.853300 
1 1 1   28   21    9 o   73.375   4.7396 9.695900 9.479214 
1 1 1   28   21   10 o   21.888   7.1406 0.6197662 14.28114 
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1 1 1   29    9   21 x  ?   ?       ?      ? 
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1 1 1   29   11    5 o   32.489   7.7977 5.280216 15.59544 
1 1 1   29   11    6 o   21.061   6.7262 -3.790764 13.45248 
1 1 1   29   11    7 o   87.283   3.6535 1.046547 7.307087 
1 1 1   29   11    8 o   59.029   5.2714 -3.000229 10.54277 
1 1 1   29   11    9 o   48.769   6.6067 -12.20927 13.21332 
1 1 1   29   11   10 o  114.631   2.8872 1.327370 5.774439 
1 1 1   29   11   11 o   71.688   4.9126 7.240280 9.825171 
1 1 1   29   11   12 o  152.357   2.3929 0.2955322 4.785838 
1 1 1   29   11   13 o  113.622   3.0443 13.17212 6.088614 
1 1 1   29   11   14 o  107.182   3.2758 1.655296 6.551549 
1 1 1   29   11   15 o   58.668   6.0103 1.795574 12.02059 
1 1 1   29   11   16 o   32.411   8.3256 1.067680 16.65128 
1 1 1   29   11   17 o   89.377   4.0752 7.139824 8.150452 
1 1 1   29   11   18 o   24.144   7.2611 13.77082 14.52218 
1 1 1   29   11   19 o  106.052   4.0821 -23.17171 8.164212 
1 1 1   29   11   20 o   30.300   8.8948 -23.70347 17.78955 
1 1 1   29   12    0 o   86.432   5.3707 0.000000 0.000000 
1 1 1   29   12    1 o  204.923   2.0432 2.948563 4.086482 
1 1 1   29   12    2 o   66.327   4.6324 -2.881531 9.264728 
1 1 1   29   12    3 o  164.364   2.1004 -2.776077 4.200800 
1 1 1   29   12    4 o   28.904   7.3579 14.30742 14.71575 
1 1 1   29   12    5 o   46.817   6.6021 9.111790 13.20428 
1 1 1   29   12    6 o   90.926   3.4589 0.8252869 6.917811 
1 1 1   29   12    7 f  143.715   2.3214 3.001541 4.642762 
1 1 1   29   12    8 o   95.504   3.3082 5.155495 6.616449 
1 1 1   29   12    9 o   58.546   5.8127 22.78974 11.62548 
1 1 1   29   12   10 o  101.938   3.2231 0.5183411E-01 6.446229 
1 1 1   29   12   11 o   27.538   7.1931 -17.85458 14.38625 
1 1 1   29   12   12 o   36.920   7.9865 7.545753 15.97293 
1 1 1   29   12   13 o   84.940   4.0171 16.11731 8.034266 
1 1 1   29   12   14 o   53.245   6.7852 -20.57856 13.57044 
1 1 1   29   12   15 f   31.024   8.2061 -0.9638138 16.41226 
1 1 1   29   12   16 o   63.305   5.6684 -6.363831 11.33674 
1 1 1   29   12   17 o   72.669   5.0810 -2.297310 10.16197 
1 1 1   29   12   18 o   73.395   5.1882 -22.83189 10.37639 
1 1 1   29   12   19 o   62.982   6.2993 -3.119057 12.59861 
1 1 1   29   13    0 o   68.307   6.8315 0.000000 0.000000 
1 1 1   29   13    1 o   56.889   5.4385 11.87526 10.87702 
1 1 1   29   13    2 o  138.961   2.3423 2.139038 4.684541 
1 1 1   29   13    3 o  113.135   2.8246 -0.5952072 5.649249 
1 1 1   29   13    4 o  123.013   2.5823 -5.146622 5.164578 
1 1 1   29   13    5 o   38.566   7.5529 -8.808964 15.10581 
1 1 1   29   13    6 o  119.466   2.7016 -2.648918 5.403201 
1 1 1   29   13    7 o   23.798   7.2342 -1.032965 14.46831 
1 1 1   29   13    8 o   55.538   6.3795 -8.475861 12.75904 
1 1 1   29   13    9 o   60.784   5.2882 -8.583790 10.57643 
1 1 1   29   13   10 o   58.936   5.5010 -2.212315 11.00191 
1 1 1   29   13   11 o   53.735   6.3272 -9.411819 12.65448 
1 1 1   29   13   12 o   90.597   3.6954 0.8396072 7.390873 
1 1 1   29   13   13 o   63.197   5.4009 6.237846 10.80186 
1 1 1   29   13   14 o  131.445   2.7703 1.372055 5.540695 
1 1 1   29   13   15 o  135.492   2.7532 0.2948151 5.506496 
1 1 1   29   13   16 o  118.656   3.1732 -3.499451 6.346318 
1 1 1   29   13   17 o   25.082   7.6909 -6.078009 15.38180 
1 1 1   29   13   18 f  108.081   3.8932 -6.885994 7.786341 
1 1 1   29   14    0 o   28.838   10.591 0.000000 0.000000 
1 1 1   29   14    1 o  140.535   2.3410 -5.639435 4.682068 
1 1 1   29   14    2 o  262.211   1.8861 -1.016174 3.772113 
1 1 1   29   14    3 o  135.553   2.4526 5.227951 4.905205 
1 1 1   29   14    4 o   95.783   3.2852 -2.662659 6.570492 
1 1 1   29   14    5 o   84.800   4.1189 0.7408142 8.237840 
1 1 1   29   14    6 o   91.389   3.6763 -2.459450 7.352507 
1 1 1   29   14    7 o  103.373   3.1002 -1.868507 6.200433 
1 1 1   29   14    8 o  125.835   2.6483 5.644821 5.296609 
1 1 1   29   14    9 o  126.667   2.6751 2.761246 5.350191 
1 1 1   29   14   10 o  124.467   2.7348 -6.439766 5.469627 
1 1 1   29   14   11 o   84.713   3.8990 -8.055580 7.798012 
1 1 1   29   14   12 o  118.148   2.9153 -9.236282 5.830663 
1 1 1   29   14   13 o  103.226   3.3816 6.551102 6.763153 
1 1 1   29   14   14 o   86.376   4.0825 3.230621 8.164946 
1 1 1   29   14   15 o  116.966   3.1800 5.563400 6.359920 
1 1 1   29   14   16 f  111.786   3.7772 -10.25410 7.554440 
1 1 1   29   14   17 o   89.302   5.7358 23.08192 11.47150 
1 1 1   29   15    0 o   41.667   10.751 0.000000 0.000000 
1 1 1   29   15    1 o   93.482   3.4083 8.769302 6.816681 
1 1 1   29   15    2 o  172.178   2.0878 -3.529373 4.175611 
1 1 1   29   15    3 o  226.217   2.0936 -1.880051 4.187146 
1 1 1   29   15    4 o  171.560   2.2647 -1.499878 4.529401 
1 1 1   29   15    5 o   87.345   3.5888 5.822090 7.177585 
1 1 1   29   15    6 o   93.489   3.4072 -2.134888 6.814361 
1 1 1   29   15    7 f   69.557   4.5289 5.005943 9.057896 
1 1 1   29   15    8 o   60.336   5.2475 -0.6683159 10.49500 
1 1 1   29   15    9 o  103.444   3.2044 9.554909 6.408704 
1 1 1   29   15   10 o  101.838   3.2765 0.2627945 6.552984 
1 1 1   29   15   11 o   84.403   3.9705 -2.836655 7.941064 
1 1 1   29   15   12 o  114.845   3.0486 -11.11935 6.097184 
1 1 1   29   15   13 o   34.601   8.2854 -4.626869 16.57074 
1 1 1   29   15   14 o   24.072   7.5278 0.7571144 15.05554 
1 1 1   29   15   15 o   34.189   8.5077 -2.037544 17.01544 
1 1 1   29   15   16 o   23.276   7.4720 -4.541546 14.94404 
1 1 1   29   15   17 x  ?   ?       ?      ? 
1 1 1   29   16    0 f   49.993   9.8223 0.000000 0.000000 
1 1 1   29   16    1 o   69.443   4.9625 15.44983 9.924951 
1 1 1   29   16    2 f  151.898   2.2779 2.506439 4.555730 
1 1 1   29   16    3 o  128.374   2.6374 -4.116783 5.274818 
1 1 1   29   16    4 o  148.522   2.3482 7.171234 4.696335 
1 1 1   29   16    5 o  138.928   2.4644 3.168564 4.928828 
1 1 1   29   16    6 o  109.973   3.0037 -4.024391 6.007322 
1 1 1   29   16    7 o   28.350   7.4598 -13.74949 14.91954 
1 1 1   29   16    8 o  122.301   2.7436 2.492775 5.487162 
1 1 1   29   16    9 o   88.616   3.7176 4.762047 7.435263 
1 1 1   29   16   10 o   71.739   4.6074 15.89705 9.214816 
1 1 1   29   16   11 o   78.534   4.3882 15.64517 8.776368 
1 1 1   29   16   12 o   32.654   8.2370 -4.113863 16.47408 
1 1 1   29   16   13 o  133.546   2.7824 1.111557 5.564815 
1 1 1   29   16   14 o   53.521   7.1241 -24.32199 14.24824 
1 1 1   29   16   15 o   84.136   4.6420 -0.5054321 9.283954 
1 1 1   29   16   16 x  ?   ?       ?      ? 
1 1 1   29   17    0 f  174.672   2.9821 0.000000 0.000000 
1 1 1   29   17    1 o   27.335   7.6991 -0.8422413 15.39813 
1 1 1   29   17    2 f   61.524   5.1888 1.536209 10.37755 
1 1 1   29   17    3 o  144.671   2.3841 -3.306625 4.768123 
1 1 1   29   17    4 f   74.720   4.2982 -0.9267960 8.596418 
1 1 1   29   17    5 o   39.245   7.7109 5.667923 15.42172 
1 1 1   29   17    6 o   87.006   3.7164 0.9857407 7.432812 
1 1 1   29   17    7 o  108.670   3.1048 1.181236 6.209533 
1 1 1   29   17    8 o  149.677   2.3594 6.814499 4.718748 
1 1 1   29   17    9 o   65.100   5.1018 6.932991 10.20353 
1 1 1   29   17   10 o   40.039   7.8286 -8.104160 15.65716 
1 1 1   29   17   11 o  213.743   2.0824 -1.949631 4.164774 
1 1 1   29   17   12 o   76.546   4.7198 1.607712 9.439595 
1 1 1   29   17   13 o   76.740   4.8626 -7.018822 9.725253 
1 1 1   29   17   14 o   56.856   7.0439 -13.74467 14.08773 
1 1 1   29   18    0 o   56.003   10.782 0.000000 0.000000 
1 1 1   29   18    1 o  165.889   2.2229 4.808243 4.445813 
1 1 1   29   18    2 o   71.593   4.7806 26.68526 9.561290 
1 1 1   29   18    3 o   36.526   7.9610 -2.469925 15.92192 
1 1 1   29   18    4 o   61.897   5.2078 2.420353 10.41551 
1 1 1   29   18    5 o   74.308   4.4912 -18.03801 8.982397 
1 1 1   29   18    6 o   67.395   4.8147 -9.325851 9.629346 
1 1 1   29   18    7 f   81.671   4.0917 9.472664 8.183340 
1 1 1   29   18    8 o   81.160   4.0959 7.837097 8.191828 
1 1 1   29   18    9 o   32.241   8.0364 -8.064337 16.07290 
1 1 1   29   18   10 o   76.870   4.6608 -15.89645 9.321648 
1 1 1   29   18   11 o   79.717   5.6618 -14.48207 11.32354 
1 1 1   29   18   12 o  107.362   3.7008 -4.973984 7.401655 
1 1 1   29   18   13 f   29.203   8.2080 16.82749 16.41604 
1 1 1   29   19    0 o   23.534   9.4948 0.000000 0.000000 
1 1 1   29   19    1 o  137.353   2.5492 5.935349 5.098341 
1 1 1   29   19    2 o   92.521   3.6252 -0.4579391 7.250463 
1 1 1   29   19    3 o   24.347   7.3711 -0.9936142 14.74220 
1 1 1   29   19    4 o   70.078   4.6829 -0.1002655 9.365860 
1 1 1   29   19    5 o   95.094   3.5163 1.116867 7.032670 
1 1 1   29   19    6 o  131.082   2.7465 2.477707 5.492960 
1 1 1   29   19    7 o   92.548   3.8033 0.3371887 7.606522 
1 1 1   29   19    8 o   43.069   7.9159 -8.625019 15.83171 
1 1 1   29   19    9 o   75.424   4.9859 -6.780067 9.971813 
1 1 1   29   19   10 o  115.665   3.4116 0.3762207 6.823219 
1 1 1   29   19   11 o   52.689   8.0701 3.441925 16.14022 
1 1 1   29   19   12 x  ?   ?       ?      ? 
1 1 1   29   20    0 o   56.924   9.9223 0.000000 0.000000 
1 1 1   29   20    1 o   68.910   4.9928 9.246239 9.985684 
1 1 1   29   20    2 o  113.109   3.1773 -1.897758 6.354588 
1 1 1   29   20    3 o   38.491   7.9725 -15.54899 15.94493 
1 1 1   29   20    4 o   26.335   7.7808 4.530407 15.56162 
1 1 1   29   20    5 o   31.207   8.1619 -10.37329 16.32387 
1 1 1   29   20    6 o   31.646   7.8658 -18.79865 15.73168 
1 1 1   29   20    7 o   48.229   8.7999 -13.19364 17.59978 
1 1 1   29   20    8 o   27.385   7.7493 14.75668 15.49861 
1 1 1   29   20    9 o   39.401   7.6115 -30.04217 15.22298 
1 1 1   29   20   10 x  ?   ?       ?      ? 
1 1 1   29   21    0 o   27.031   10.994 0.000000 0.000000 
1 1 1   29   21    1 o   23.142   7.3641 8.013386 14.72812 
1 1 1   29   21    2 o   42.374   8.5194 -4.358887 17.03887 
1 1 1   29   21    3 o   31.903   8.5837 5.338587 17.16735 
1 1 1   29   21    4 o   28.467   8.3262 -2.942392 16.65243 
1 1 1   29   21    5 o   30.169   8.4728 0.5424519 16.94551 
1 1 1   29   21    6 o   60.796   7.7453 15.03345 15.49056 
1 1 1   29   21    7 o   86.476   4.8620 -17.51550 9.724036 
1 1 1   29   22    0 o   90.332   7.2701 0.000000 0.000000 
1 1 1   29   22    1 o   27.548   8.4511 -2.024845 16.90230 
1 1 1   29   22    2 o   55.306   8.0284 -17.39765 16.05685 
1 1 1   29   22    3 o  135.087   3.5123 13.14243 7.024531 
1 1 1   29   22    4 x  ?   ?       ?      ? 
1 1 1   30    0    0 o   69.496   10.089 0.000000 0.000000 
1 1 1   30    0    1 o  133.908   3.2641 0.000000 0.000000 
1 1 1   30    0    2 o   81.120   8.8850 0.000000 0.000000 
1 1 1   30    0    3 o   55.493   9.3378 0.000000 0.000000 
1 1 1   30    0    4 o   50.062   10.960 0.000000 0.000000 
1 1 1   30    0    5 o  263.043   2.6703 0.000000 0.000000 
1 1 1   30    0    6 o  111.348   4.2347 0.000000 0.000000 
1 1 1   30    0    7 f  164.557   3.0424 0.000000 0.000000 
1 1 1   30    0    8 o   19.582   9.0562 0.000000 0.000000 
1 1 1   30    0    9 o   28.187   11.381 0.000000 0.000000 
1 1 1   30    0   10 o  105.326   4.4682 0.000000 0.000000 
1 1 1   30    0   11 o   90.637   5.1803 0.000000 0.000000 
1 1 1   30    0   12 o   15.937   7.8975 0.000000 0.000000 
1 1 1   30    0   13 o  117.609   4.1260 0.000000 0.000000 
1 1 1   30    0   14 o  145.416   3.5758 0.000000 0.000000 
1 1 1   30    0   15 o  174.820   3.1635 0.000000 0.000000 
1 1 1   30    0   16 o   52.229   10.134 0.000000 0.000000 
1 1 1   30    0   17 o   22.078   10.023 0.000000 0.000000 
1 1 1   30    0   18 o  151.685   3.6115 0.000000 0.000000 
1 1 1   30    0   19 o   68.039   8.6483 0.000000 0.000000 
1 1 1   30    0   20 o   17.996   8.8373 0.000000 0.000000 
1 1 1   30    0   21 o   44.866   12.710 0.000000 0.000000 
1 1 1   30    1    0 o   58.823   9.9553 0.000000 0.000000 
1 1 1   30    1    1 o   99.250   3.2543 6.463943 6.508583 
1 1 1   30    1    2 o  130.153   3.1877 -28.45484 6.375364 
1 1 1   30    1    3 o  116.985   3.1382 -22.67834 6.276486 
1 1 1   30    1    4 o  258.883   2.1319 -3.408600 4.263836 
1 1 1   30    1    5 o   56.201   5.3783 -4.940670 10.75653 
1 1 1   30    1    6 o  142.673   2.3583 -1.531662 4.716551 
1 1 1   30    1    7 o   93.614   3.3568 -3.642502 6.713616 
1 1 1   30    1    8 o  156.958   2.2019 -4.187744 4.403832 
1 1 1   30    1    9 o   72.542   4.5452 -12.77033 9.090500 
1 1 1   30    1   10 o  250.917   1.9293 1.098663 3.858550 
1 1 1   30    1   11 o   36.881   8.3110 6.218597 16.62197 
1 1 1   30    1   12 o   87.104   3.7748 1.142616 7.549593 
1 1 1   30    1   13 o  112.126   3.2599 -12.89796 6.519714 
1 1 1   30    1   14 o  182.696   2.1824 2.864304 4.364862 
1 1 1   30    1   15 o   88.834   3.8756 5.997887 7.751155 
1 1 1   30    1   16 o   34.711   8.2861 -6.476240 16.57216 
1 1 1   30    1   17 o  121.937   3.0174 0.8899460 6.034741 
1 1 1   30    1   18 o   56.643   6.7540 -7.692509 13.50797 
1 1 1   30    1   19 o  132.089   2.9894 -0.6828003 5.978898 
1 1 1   30    1   20 o   58.636   6.8190 -17.67092 13.63800 
1 1 1   30    1   21 o   71.367   5.4297 -7.425919 10.85939 
1 1 1   30    2    0 o  103.146   5.3122 0.000000 0.000000 
1 1 1   30    2    1 f   96.829   3.3659 1.473404 6.731789 
1 1 1   30    2    2 o  241.141   2.2684 12.93443 4.536846 
1 1 1   30    2    3 o  141.132   2.8704 -15.66800 5.740807 
1 1 1   30    2    4 o  126.629   2.5811 -2.688492 5.162293 
1 1 1   30    2    5 o  145.989   2.3565 -6.284470 4.712965 
1 1 1   30    2    6 o  107.714   3.0219 2.198563 6.043758 
1 1 1   30    2    7 o   92.531   3.4630 0.8619766 6.925974 
1 1 1   30    2    8 o   27.497   7.0972 18.20245 14.19448 
1 1 1   30    2    9 o  104.988   3.1606 4.525536 6.321295 
1 1 1   30    2   10 o   93.092   3.5380 -8.357063 7.076035 
1 1 1   30    2   11 o  228.336   1.9788 -2.666611 3.957527 
1 1 1   30    2   12 o   68.526   4.7244 -2.087494 9.448769 
1 1 1   30    2   13 o  167.493   2.4066 1.819885 4.813210 
1 1 1   30    2   14 o  125.649   2.8067 -0.1297455 5.613404 
1 1 1   30    2   15 o  133.820   2.6579 -7.597046 5.315717 
1 1 1   30    2   16 o   33.569   8.3066 -5.201460 16.61312 
1 1 1   30    2   17 o  126.813   2.9876 2.579727 5.975145 
1 1 1   30    2   18 o  165.373   2.4546 2.178268 4.909172 
1 1 1   30    2   19 o   40.994   8.3973 -12.88770 16.79463 
1 1 1   30    2   20 o   20.021   6.7413 -3.547630 13.48269 
1 1 1   30    2   21 o   85.398   7.1840 -5.968719 14.36792 
1 1 1   30    3    0 o  176.827   3.3584 0.000000 0.000000 
1 1 1   30    3    1 o  171.347   1.9806 -4.023056 3.961153 
1 1 1   30    3    2 o  131.300   3.5277      ?      ? 
1 1 1   30    3    3 o  411.719   2.3343 -4.239990 4.668686 
1 1 1   30    3    4 o  147.474   2.4218 0.1983795 4.843544 
1 1 1   30    3    5 o  212.057   1.9170 -1.836914 3.833982 
1 1 1   30    3    6 o   69.463   4.4923 15.01307 8.984543 
1 1 1   30    3    7 o   40.053   7.7047 -5.115154 15.40949 
1 1 1   30    3    8 o  124.751   2.6138 0.7030716 5.227627 
1 1 1   30    3    9 o   41.706   7.9193 -10.54496 15.83850 
1 1 1   30    3   10 o  136.074   2.5275 4.401962 5.055019 
1 1 1   30    3   11 o  131.204   2.6083 -1.162979 5.216621 
1 1 1   30    3   12 o   95.629   3.5622 -4.842346 7.124306 
1 1 1   30    3   13 o  149.115   2.4506 -0.4010162 4.901134 
1 1 1   30    3   14 o  186.096   2.1457 0.5437927 4.291445 
1 1 1   30    3   15 o   38.137   8.1420 -2.734558 16.28407 
1 1 1   30    3   16 o  114.781   3.1823 0.7763672 6.364578 
1 1 1   30    3   17 o  150.835   2.5995 1.114777 5.199022 
1 1 1   30    3   18 o   44.088   7.2407 32.20560 14.48148 
1 1 1   30    3   19 o   53.901   7.4863 23.31361 14.97255 
1 1 1   30    3   20 o   66.820   5.7794 -14.81813 11.55873 
1 1 1   30    3   21 o   27.169   8.5631 -18.16066 17.12613 
1 1 1   30    4    0 o  118.850   5.4696 0.000000 0.000000 
1 1 1   30    4    1 o  125.540   2.6724 0.5653687 5.344705 
1 1 1   30    4    2 o  137.743   2.3517 -0.3459625 4.703450 
1 1 1   30    4    3 o   33.589   7.6345 12.08922 15.26908 
1 1 1   30    4    4 o  148.528   2.2703 -0.8796234 4.540560 
1 1 1   30    4    5 o  124.573   2.6862 -5.729454 5.372404 
1 1 1   30    4    6 o   35.286   8.0317 -4.167107 16.06346 
1 1 1   30    4    7 o  167.212   2.1273 -2.649597 4.254570 
1 1 1   30    4    8 f   42.150   7.1743 -13.65501 14.34857 
1 1 1   30    4    9 o   86.237   3.8261 1.662605 7.652143 
1 1 1   30    4   10 o  110.955   2.9476 -3.081062 5.895193 
1 1 1   30    4   11 o   97.719   3.6947 3.316139 7.389325 
1 1 1   30    4   12 o  107.014   3.2415 8.156746 6.483002 
1 1 1   30    4   13 o   79.338   4.2796 6.135368 8.559168 
1 1 1   30    4   14 o  140.601   2.5753 0.6048584 5.150638 
1 1 1   30    4   15 o  109.764   3.2369 1.720062 6.473732 
1 1 1   30    4   16 o   55.011   6.4926 11.49589 12.98526 
1 1 1   30    4   17 o   43.892   8.1121 -11.44031 16.22417 
1 1 1   30    4   18 o   51.327   7.7037 19.21110 15.40737 
1 1 1   30    4   19 o   85.792   4.4980 -0.9182587 8.996052 
1 1 1   30    4   20 o   25.385   7.7513 -9.151575 15.50268 
1 1 1   30    5    0 o   57.605   8.5709 0.000000 0.000000 
1 1 1   30    5    1 o   30.599   7.3814 15.59930 14.76275 
1 1 1   30    5    2 o  112.003   3.0257 3.813660 6.051381 
1 1 1   30    5    3 o  180.088   2.0185 -0.6640625E-01 4.037092 
1 1 1   30    5    4 o   96.378   3.1686 12.53777 6.337135 
1 1 1   30    5    5 f   43.131   6.7364 -22.52395 13.47281 
1 1 1   30    5    6 o  124.237   2.7017 11.75562 5.403330 
1 1 1   30    5    7 o  169.541   2.0820 -1.586487 4.163906 
1 1 1   30    5    8 o  140.329   2.5588 3.462555 5.117590 
1 1 1   30    5    9 o  133.583   2.6045 -2.102921 5.208904 
1 1 1   30    5   10 o  149.647   2.3353 1.085251 4.670515 
1 1 1   30    5   11 o  140.029   2.5094 -1.355759 5.018736 
1 1 1   30    5   12 o  229.220   1.9678 -7.435120 3.935509 
1 1 1   30    5   13 o   39.386   8.5269 -6.015114 17.05379 
1 1 1   30    5   14 o   99.907   3.5090 -0.3952179 7.017954 
1 1 1   30    5   15 o   95.184   3.6691 8.885887 7.338192 
1 1 1   30    5   16 o   29.831   7.8658 -12.61671 15.73162 
1 1 1   30    5   17 f   81.323   4.5314 -14.77575 9.062721 
1 1 1   30    5   18 o  118.032   3.2401 2.789848 6.480240 
1 1 1   30    5   19 o   48.426   7.7849 -8.709423 15.56986 
1 1 1   30    5   20 o   29.047   8.2897 5.735369 16.57937 
1 1 1   30    6    0 o  147.670   3.1026 0.000000 0.000000 
1 1 1   30    6    1 o   34.236   7.7912 1.120701 15.58238 
1 1 1   30    6    2 o   43.001   7.0033 8.256191 14.00669 
1 1 1   30    6    3 o  113.835   2.6865 -2.180794 5.372984 
1 1 1   30    6    4 o  125.371   2.8709 -0.9468155 5.741828 
1 1 1   30    6    5 o   94.148   3.3096 6.165710 6.619264 
1 1 1   30    6    6 o  214.261   1.9053 1.224564 3.810588 
1 1 1   30    6    7 f  129.024   2.5478 -5.379074 5.095678 
1 1 1   30    6    8 o   87.358   3.7615 6.973015 7.522947 
1 1 1   30    6    9 o  106.805   2.9744 -0.1181641 5.948776 
1 1 1   30    6   10 o  122.006   2.9917 3.111740 5.983402 
1 1 1   30    6   11 o  110.472   2.9991 1.635651 5.998247 
1 1 1   30    6   12 o   35.393   7.9336 11.61540 15.86723 
1 1 1   30    6   13 o   30.702   8.0639 8.297550 16.12774 
1 1 1   30    6   14 o   86.649   4.0145 -5.470848 8.029072 
1 1 1   30    6   15 o  155.166   2.5304 1.789444 5.060778 
1 1 1   30    6   16 o   90.847   3.9362 1.863586 7.872404 
1 1 1   30    6   17 o   27.158   7.9293 4.102348 15.85857 
1 1 1   30    6   18 o   77.308   4.8073 1.951515 9.614529 
1 1 1   30    6   19 o   21.073   7.0985 -1.244678 14.19695 
1 1 1   30    6   20 o   43.196   9.0690 11.61924 18.13794 
1 1 1   30    7    0 o   55.374   8.9905 0.000000 0.000000 
1 1 1   30    7    1 o   72.293   4.1860 -8.628738 8.372065 
1 1 1   30    7    2 o   33.594   7.6662 10.27198 15.33242 
1 1 1   30    7    3 o  112.498   2.8386 -0.1616440 5.677217 
1 1 1   30    7    4 o   51.841   5.9578 -8.284195 11.91551 
1 1 1   30    7    5 o   59.544   5.2441 7.558647 10.48820 
1 1 1   30    7    6 o  183.401   2.1692 -2.865585 4.338388 
1 1 1   30    7    7 o  131.985   2.5089 5.532059 5.017732 
1 1 1   30    7    8 o  265.638   1.9098 -10.63617 3.819530 
1 1 1   30    7    9 f   61.167   5.1775 8.200638 10.35507 
1 1 1   30    7   10 o  109.251   3.0368 2.986580 6.073661 
1 1 1   30    7   11 o   57.365   5.7901 6.573723 11.58029 
1 1 1   30    7   12 o  165.512   2.3790 -2.931763 4.757931 
1 1 1   30    7   13 o   35.786   8.3068 -0.4549866 16.61360 
1 1 1   30    7   14 o   94.835   3.7010 5.276932 7.402005 
1 1 1   30    7   15 o   52.590   7.0446 0.2652550 14.08915 
1 1 1   30    7   16 o  102.821   3.5329 -10.89362 7.065793 
1 1 1   30    7   17 o   30.425   8.0894 12.99888 16.17874 
1 1 1   30    7   18 o   57.195   7.4791 -3.282749 14.95828 
1 1 1   30    7   19 o  108.574   3.6431 0.7644577 7.286249 
1 1 1   30    7   20 x  ?   ?       ?      ? 
1 1 1   30    8    0 o   55.724   9.1502 0.000000 0.000000 
1 1 1   30    8    1 o  108.678   2.8927 1.456871 5.785302 
1 1 1   30    8    2 o   79.121   3.9448 -5.457520 7.889560 
1 1 1   30    8    3 o   98.445   3.1267 -0.5059586 6.253379 
1 1 1   30    8    4 o  253.405   1.8838 0.4710999 3.767512 
1 1 1   30    8    5 o  191.482   1.9559 1.566528 3.911808 
1 1 1   30    8    6 o   72.147   4.2751 4.818214 8.550195 
1 1 1   30    8    7 o  149.218   2.2871 4.513062 4.574287 
1 1 1   30    8    8 o  106.143   3.3074 3.289001 6.614847 
1 1 1   30    8    9 o  158.240   2.2444 2.663666 4.488739 
1 1 1   30    8   10 o  124.799   2.7262 3.955727 5.452473 
1 1 1   30    8   11 o  217.851   1.9879 -5.197418 3.975847 
1 1 1   30    8   12 o   84.466   4.0091 -0.7176514 8.018144 
1 1 1   30    8   13 o  147.499   2.4902 -4.392059 4.980381 
1 1 1   30    8   14 o   38.828   8.4229 -5.861221 16.84581 
1 1 1   30    8   15 o   32.639   8.2360 11.33430 16.47195 
1 1 1   30    8   16 o   71.912   5.1419 -12.91530 10.28380 
1 1 1   30    8   17 o   85.870   4.4155 4.618744 8.830941 
1 1 1   30    8   18 o   54.108   7.4440 6.687168 14.88807 
1 1 1   30    8   19 o   49.008   7.8302 -23.95838 15.66040 
1 1 1   30    9    0 o   98.921   4.4317 0.000000 0.000000 
1 1 1   30    9    1 o  125.579   2.5606 -4.646927 5.121193 
1 1 1   30    9    2 o   83.021   3.6597 -4.855850 7.319431 
1 1 1   30    9    3 o   93.357   3.3645 1.176567 6.728960 
1 1 1   30    9    4 o  142.474   2.3027 4.248428 4.605421 
1 1 1   30    9    5 o  127.834   2.5422 5.780098 5.084303 
1 1 1   30    9    6 o   47.011   6.6646 -5.867020 13.32929 
1 1 1   30    9    7 o   75.777   4.2481 0.8536682 8.496136 
1 1 1   30    9    8 o  188.213   1.9701 -2.497742 3.940259 
1 1 1   30    9    9 o   40.707   7.3597 -19.94822 14.71942 
1 1 1   30    9   10 o  223.938   2.1066 -7.606949 4.213220 
1 1 1   30    9   11 o   78.461   4.2993 0.1498108 8.598637 
1 1 1   30    9   12 o  147.902   2.4560 7.535461 4.911950 
1 1 1   30    9   13 o   31.460   8.1433 -2.208105 16.28667 
1 1 1   30    9   14 o  139.375   2.6833 -6.319138 5.366529 
1 1 1   30    9   15 o   23.581   7.4114 3.383934 14.82272 
1 1 1   30    9   16 o  129.680   3.1469 -3.139694 6.293764 
1 1 1   30    9   17 o  100.603   3.8538 -10.93533 7.707621 
1 1 1   30    9   18 o  124.309   3.3055 -10.61530 6.610987 
1 1 1   30    9   19 x  ?   ?       ?      ? 
1 1 1   30   10    0 o  161.351   2.9988 0.000000 0.000000 
1 1 1   30   10    1 o  160.929   2.1016 3.299667 4.203295 
1 1 1   30   10    2 o   82.831   3.6881 0.9819641 7.376292 
1 1 1   30   10    3 o  122.322   2.5274 8.357285 5.054811 
1 1 1   30   10    4 o  102.685   2.9961 -0.7489929 5.992127 
1 1 1   30   10    5 o   65.303   4.5978 -2.669380 9.195581 
1 1 1   30   10    6 o   58.088   5.4019 3.245266 10.80373 
1 1 1   30   10    7 o  126.712   2.5479 3.959923 5.095717 
1 1 1   30   10    8 o   32.262   7.8190 -10.79712 15.63800 
1 1 1   30   10    9 o   30.215   7.6736 -12.01485 15.34716 
1 1 1   30   10   10 o  131.057   2.5856 5.616211 5.171148 
1 1 1   30   10   11 o   57.599   5.9593 12.87823 11.91858 
1 1 1   30   10   12 o  112.920   3.3924 4.121567 6.784815 
1 1 1   30   10   13 f   83.589   4.1111 8.860046 8.222269 
1 1 1   30   10   14 o   74.206   4.6933 0.4058228 9.386655 
1 1 1   30   10   15 o  119.123   3.0464 -1.758194 6.092758 
1 1 1   30   10   16 o  108.114   3.4589 -0.1247482 6.917796 
1 1 1   30   10   17 f   85.645   4.4930 9.786850 8.986006 
1 1 1   30   10   18 o   43.170   9.4502 3.495068 18.90040 
1 1 1   30   11    0 o  348.803   2.9680 0.000000 0.000000 
1 1 1   30   11    1 o   83.764   3.9835 -1.888214 7.967087 
1 1 1   30   11    2 o  116.432   2.6815 3.822685 5.363056 
1 1 1   30   11    3 o   24.810   7.2770 4.981287 14.55405 
1 1 1   30   11    4 o   47.381   6.6323 -4.648998 13.26469 
1 1 1   30   11    5 o   94.698   3.2937 -3.198608 6.587471 
1 1 1   30   11    6 o   35.918   6.2882 -32.12978 12.57633 
1 1 1   30   11    7 f  125.752   2.8628 4.385155 5.725616 
1 1 1   30   11    8 o   64.581   4.9433 -2.229031 9.886567 
1 1 1   30   11    9 o   84.936   3.8384 1.892159 7.676805 
1 1 1   30   11   10 o  127.176   2.6743 -1.115128 5.348635 
1 1 1   30   11   11 f   75.123   4.4297 5.719910 8.859305 
1 1 1   30   11   12 o   42.439   7.8278 9.159412 15.65570 
1 1 1   30   11   13 o   55.684   6.4496 -14.17291 12.89919 
1 1 1   30   11   14 o  109.920   3.5696 -9.851929 7.139291 
1 1 1   30   11   15 o   36.026   8.3971 -6.086765 16.79412 
1 1 1   30   11   16 o   89.177   4.2645 -7.084068 8.529085 
1 1 1   30   11   17 o   38.907   8.7082 4.063847 17.41637 
1 1 1   30   11   18 o   67.278   7.9713 -57.66625 15.94251 
1 1 1   30   12    0 o   67.824   6.6599 0.000000 0.000000 
1 1 1   30   12    1 o  155.994   2.4160 -6.717484 4.831977 
1 1 1   30   12    2 o   94.323   3.3060 3.303413 6.611936 
1 1 1   30   12    3 o  228.590   1.8779 -4.752533 3.755755 
1 1 1   30   12    4 o  117.208   2.7524 2.517952 5.504729 
1 1 1   30   12    5 o  135.834   2.4625 -0.5102844 4.924907 
1 1 1   30   12    6 o   60.794   5.7175 0.4886246E-01 11.43493 
1 1 1   30   12    7 o  148.526   2.3119 0.4854126 4.623782 
1 1 1   30   12    8 o   25.564   7.5037 4.646393 15.00747 
1 1 1   30   12    9 o   37.406   7.7733 -7.832382 15.54667 
1 1 1   30   12   10 o   20.687   6.7470 -1.658188 13.49408 
1 1 1   30   12   11 o  124.136   2.8285 -5.185883 5.656936 
1 1 1   30   12   12 o   22.529   7.1625 -1.129848 14.32492 
1 1 1   30   12   13 o   41.050   8.0875 -5.754177 16.17493 
1 1 1   30   12   14 o   67.802   5.3225 -6.239716 10.64496 
1 1 1   30   12   15 o   65.592   5.7328 2.313820 11.46556 
1 1 1   30   12   16 o   39.786   9.0745 -2.842369 18.14891 
1 1 1   30   12   17 o   32.377   8.7888 -3.642960 17.57758 
1 1 1   30   13    0 o  151.820   3.2049 0.000000 0.000000 
1 1 1   30   13    1 o  139.726   2.3638 7.749374 4.727642 
1 1 1   30   13    2 o   93.082   3.7526 5.290718 7.505252 
1 1 1   30   13    3 o  130.549   2.5401 5.605003 5.080135 
1 1 1   30   13    4 o  239.227   1.9069 -2.047256 3.813857 
1 1 1   30   13    5 o   66.462   4.7856 -2.564095 9.571151 
1 1 1   30   13    6 o  132.183   2.5370 -4.881317 5.074058 
1 1 1   30   13    7 o   34.295   7.9912 -0.2857208E-01 15.98242 
1 1 1   30   13    8 o   91.796   3.6300 0.6682510 7.260099 
1 1 1   30   13    9 o  188.135   2.0616 -8.022476 4.123128 
1 1 1   30   13   10 o   35.564   7.6113 19.45582 15.22268 
1 1 1   30   13   11 o   42.034   7.8153 -4.215485 15.63070 
1 1 1   30   13   12 o   58.784   5.7395 3.575237 11.47894 
1 1 1   30   13   13 f   72.556   4.7588 0.9428253 9.517622 
1 1 1   30   13   14 o   78.745   4.6404 -5.623032 9.280733 
1 1 1   30   13   15 o   84.736   4.6140 2.693626 9.228101 
1 1 1   30   13   16 o   78.297   5.5552 31.38573 11.11037 
1 1 1   30   14    0 o   63.431   9.9981 0.000000 0.000000 
1 1 1   30   14    1 o  170.501   2.1254 2.862350 4.250831 
1 1 1   30   14    2 o  107.387   3.0150 0.8391266 6.030078 
1 1 1   30   14    3 o   48.046   6.7548 4.230164 13.50961 
1 1 1   30   14    4 o  102.661   3.1306 3.044029 6.261172 
1 1 1   30   14    5 o   38.789   7.7176 -3.841282 15.43523 
1 1 1   30   14    6 o   60.020   5.4216 2.005810 10.84330 
1 1 1   30   14    7 o  107.233   3.1548 -7.175835 6.309668 
1 1 1   30   14    8 o  137.546   2.5041 5.091263 5.008220 
1 1 1   30   14    9 o   27.937   7.7857 -5.920155 15.57136 
1 1 1   30   14   10 o  114.368   3.0230 -8.771889 6.045981 
1 1 1   30   14   11 o  122.701   2.9166 6.603165 5.833185 
1 1 1   30   14   12 o   86.333   4.0530 -10.03186 8.105915 
1 1 1   30   14   13 o   35.476   8.5257 2.552124 17.05134 
1 1 1   30   14   14 o  194.020   2.7466 -21.83878 5.493261 
1 1 1   30   14   15 o   63.731   8.0099 -21.52087 16.01980 
1 1 1   30   15    0 o   30.575   9.9816 0.000000 0.000000 
1 1 1   30   15    1 o   68.061   4.7438 -3.806694 9.487597 
1 1 1   30   15    2 o   48.635   6.7480 24.58466 13.49602 
1 1 1   30   15    3 o   90.270   3.5803 -2.770012 7.160593 
1 1 1   30   15    4 o   86.467   3.7571 -0.2531738 7.514181 
1 1 1   30   15    5 o   28.246   7.5244 -12.48039 15.04877 
1 1 1   30   15    6 o   22.489   7.0727 -1.456717 14.14539 
1 1 1   30   15    7 o  124.375   2.7387 4.004814 5.477388 
1 1 1   30   15    8 o   51.844   6.5328 -17.57404 13.06559 
1 1 1   30   15    9 o  116.320   2.9023 3.861542 5.804508 
1 1 1   30   15   10 o   83.045   4.1116 -2.484840 8.223218 
1 1 1   30   15   11 o  146.906   2.5765 1.310196 5.153010 
1 1 1   30   15   12 o   38.774   8.4072 -3.824722 16.81445 
1 1 1   30   15   13 o   28.740   8.2286 -0.2579231 16.45722 
1 1 1   30   15   14 o   68.292   5.7394 3.282562 11.47883 
1 1 1   30   16    0 o  122.245   4.0407 0.000000 0.000000 
1 1 1   30   16    1 o   78.816   4.1751 11.06492 8.350250 
1 1 1   30   16    2 o  137.916   2.5714 11.66432 5.142836 
1 1 1   30   16    3 o  140.846   2.5157 0.4251862 5.031427 
1 1 1   30   16    4 o   45.509   7.2946 10.63872 14.58912 
1 1 1   30   16    5 o  116.729   2.8954 3.186432 5.790877 
1 1 1   30   16    6 o   81.693   4.0016 -6.320610 8.003156 
1 1 1   30   16    7 o   45.890   7.2278 -5.847538 14.45562 
1 1 1   30   16    8 o   43.179   7.5711 7.605732 15.14225 
1 1 1   30   16    9 o   88.224   3.9306 -8.957512 7.861242 
1 1 1   30   16   10 o   75.341   4.9048 -8.176666 9.809637 
1 1 1   30   16   11 o   52.723   7.2834 -12.84211 14.56673 
1 1 1   30   16   12 o   42.070   8.5613 -11.94498 17.12262 
1 1 1   30   16   13 o   85.869   5.2530 -15.70633 10.50595 
1 1 1   30   17    0 o  161.449   3.2928 0.000000 0.000000 
1 1 1   30   17    1 o  166.758   2.2370 2.421600 4.474084 
1 1 1   30   17    2 o   89.724   3.7405 4.666046 7.480964 
1 1 1   30   17    3 o   43.863   7.1165 23.78627 14.23309 
1 1 1   30   17    4 f   45.479   6.9248 -30.13298 13.84963 
1 1 1   30   17    5 o  113.549   3.0286 -7.234627 6.057282 
1 1 1   30   17    6 o   90.910   3.7514 -0.8667221 7.502703 
1 1 1   30   17    7 o   25.793   7.5299 -8.949173 15.05986 
1 1 1   30   17    8 o   26.035   7.7780 -3.813869 15.55598 
1 1 1   30   17    9 o   50.183   7.1766 33.09253 14.35322 
1 1 1   30   17   10 o   61.599   6.1635 3.712688 12.32690 
1 1 1   30   17   11 o   71.060   6.6305 -32.08075 13.26108 
1 1 1   30   17   12 o   21.153   7.2597 0.2751007 14.51949 
1 1 1   30   18    0 f  131.349   3.9201 0.000000 0.000000 
1 1 1   30   18    1 o   48.856   7.2407 3.484100 14.48143 
1 1 1   30   18    2 o   33.420   7.9485 14.34207 15.89692 
1 1 1   30   18    3 o  102.911   3.4131 9.320755 6.826120 
1 1 1   30   18    4 o   83.322   4.1722 -3.089981 8.344417 
1 1 1   30   18    5 o  207.545   2.1392 4.463928 4.278414 
1 1 1   30   18    6 o   24.439   7.5071 -9.052891 15.01423 
1 1 1   30   18    7 o   82.784   4.5705 -3.969032 9.141060 
1 1 1   30   18    8 o   24.720   7.6118 -10.32234 15.22358 
1 1 1   30   18    9 o   32.658   8.6203 5.656540 17.24055 
1 1 1   30   18   10 o   28.483   8.0435 -16.11595 16.08709 
1 1 1   30   19    0 o   39.485   10.976 0.000000 0.000000 
1 1 1   30   19    1 o  116.994   3.2314 -5.593430 6.462812 
1 1 1   30   19    2 o   99.528   3.7754 3.209045 7.550855 
1 1 1   30   19    3 o   94.984   3.9924 11.08208 7.984893 
1 1 1   30   19    4 o   93.182   4.2565 6.748863 8.513009 
1 1 1   30   19    5 o   63.285   6.8732 -26.00521 13.74649 
1 1 1   30   19    6 o  166.212   2.9711 -0.9613647 5.942287 
1 1 1   30   19    7 o  120.801   3.5718 9.667709 7.143540 
1 1 1   30   19    8 x  ?   ?       ?      ? 
1 1 1   30   20    0 o   35.918   11.979 0.000000 0.000000 
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1 1 1   30   20    5 x  ?   ?       ?      ? 
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1 1 1   31    9   17 x  ?   ?       ?      ? 
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1 1 1   31   14   11 o  105.474   3.7054 -1.174614 7.410801 
1 1 1   31   14   12 o  104.855   4.5557 -24.09774 9.111491 
1 1 1   31   15    0 o  110.947   4.4416 0.000000 0.000000 
1 1 1   31   15    1 o  158.871   2.3147 0.6038666 4.629466 
1 1 1   31   15    2 o  123.279   2.8291 6.632942 5.658288 
1 1 1   31   15    3 o   71.625   4.7101 -5.604073 9.420250 
1 1 1   31   15    4 o   84.073   4.0068 1.482452 8.013594 
1 1 1   31   15    5 o   35.927   7.8334 16.12706 15.66687 
1 1 1   31   15    6 o   35.264   8.1260 -9.740835 16.25195 
1 1 1   31   15    7 o  117.961   3.0908 -1.210419 6.181571 
1 1 1   31   15    8 o   39.568   8.3281 6.068508 16.65614 
1 1 1   31   15    9 o   34.758   8.4119 9.981285 16.82376 
1 1 1   31   15   10 o   27.403   8.1658 -1.171730 16.33169 
1 1 1   31   15   11 o   29.039   8.5623 2.301376 17.12453 
1 1 1   31   16    0 o  184.609   3.0756 0.000000 0.000000 
1 1 1   31   16    1 o   87.343   4.6644 -4.368767 9.328852 
1 1 1   31   16    2 o  223.589   2.0339 3.749664 4.067845 
1 1 1   31   16    3 o  162.478   2.4101 -8.026459 4.820154 
1 1 1   31   16    4 o   58.824   6.6195 22.01517 13.23905 
1 1 1   31   16    5 o   89.898   4.1223 4.988640 8.244630 
1 1 1   31   16    6 o   67.149   5.5892 11.42918 11.17845 
1 1 1   31   16    7 o  176.926   2.6249 -9.275940 5.249839 
1 1 1   31   16    8 o   85.809   4.7030 11.49683 9.406098 
1 1 1   31   16    9 o   61.571   6.4482 1.782082 12.89639 
1 1 1   31   16   10 o   17.894   6.3540 3.583075 12.70809 
1 1 1   31   17    0 o  248.158   3.6002 0.000000 0.000000 
1 1 1   31   17    1 o   73.338   6.9487 -15.93648 13.89749 
1 1 1   31   17    2 o  111.593   3.5278 -5.045357 7.055508 
1 1 1   31   17    3 o  157.821   2.9356 17.64487 5.871235 
1 1 1   31   17    4 o  124.594   3.2787 2.513374 6.557498 
1 1 1   31   17    5 o   73.821   5.3987 -1.576744 10.79747 
1 1 1   31   17    6 o   96.558   5.0743 27.00981 10.14855 
1 1 1   31   17    7 o   84.877   4.8709 -2.076469 9.741751 
1 1 1   31   17    8 x  ?   ?       ?      ? 
1 1 1   31   18    0 o   59.760   12.060 0.000000 0.000000 
1 1 1   31   18    1 o  171.649   3.8370 -8.961761 7.674090 
1 1 1   31   18    2 o   68.010   6.2291 13.42709 12.45823 
1 1 1   31   18    3 o   56.655   7.7592 19.94911 15.51836 
1 1 1   31   18    4 o   31.559   8.3476 17.70710 16.69512 
1 1 1   31   18    5 o  105.624   4.2809 2.272697 8.561749 
1 1 1   32    0    0 o  300.925   3.9593 0.000000 0.000000 
1 1 1   32    0    1 o  116.774   3.8885 0.000000 0.000000 
1 1 1   32    0    2 o  180.006   2.9171 0.000000 0.000000 
1 1 1   32    0    3 o   47.020   10.472 0.000000 0.000000 
1 1 1   32    0    4 o  188.378   2.8032 0.000000 0.000000 
1 1 1   32    0    5 o   17.237   8.3727 0.000000 0.000000 
1 1 1   32    0    6 o   34.187   10.125 0.000000 0.000000 
1 1 1   32    0    7 o  196.327   2.8639 0.000000 0.000000 
1 1 1   32    0    8 o  177.121   2.9952 0.000000 0.000000 
1 1 1   32    0    9 f   48.707   10.176 0.000000 0.000000 
1 1 1   32    0   10 f  115.759   4.4103 0.000000 0.000000 
1 1 1   32    0   11 o  151.522   3.4045 0.000000 0.000000 
1 1 1   32    0   12 o   55.249   11.014 0.000000 0.000000 
1 1 1   32    0   13 o   57.854   9.8240 0.000000 0.000000 
1 1 1   32    0   14 o   77.368   7.1887 0.000000 0.000000 
1 1 1   32    0   15 o   20.232   9.6190 0.000000 0.000000 
1 1 1   32    0   16 o   83.367   7.2155 0.000000 0.000000 
1 1 1   32    0   17 x  ?   ?       ?      ? 
1 1 1   32    1    0 f   85.767   6.5141 0.000000 0.000000 
1 1 1   32    1    1 o  238.353   1.9876 -5.724747 3.975294 
1 1 1   32    1    2 o   64.344   5.4620 -12.85188 10.92393 
1 1 1   32    1    3 o   77.925   4.7144 1.951805 9.428901 
1 1 1   32    1    4 o   51.950   6.5166 20.09912 13.03313 
1 1 1   32    1    5 o  149.619   2.3124 0.5778351 4.624900 
1 1 1   32    1    6 o   64.625   4.9528 9.104050 9.905665 
1 1 1   32    1    7 o   66.490   4.8618 8.031197 9.723618 
1 1 1   32    1    8 o   76.759   4.5837 -4.485474 9.167397 
1 1 1   32    1    9 o  143.005   2.5023 4.210236 5.004520 
1 1 1   32    1   10 o   28.490   7.7150 -20.28992 15.43001 
1 1 1   32    1   11 o   75.305   4.5705 5.857986 9.140981 
1 1 1   32    1   12 o  147.034   2.5558 -0.8164978 5.111661 
1 1 1   32    1   13 o  119.941   3.0852 2.626564 6.170312 
1 1 1   32    1   14 x  ?   ?       ?      ? 
1 1 1   32    1   15 o  100.744   4.0063 -9.516068 8.012509 
1 1 1   32    1   16 o   85.760   4.6972 -14.66725 9.394451 
1 1 1   32    1   17 x  ?   ?       ?      ? 
1 1 1   32    2    0 o  169.906   3.0578 0.000000 0.000000 
1 1 1   32    2    1 o  148.128   2.3978 0.4706726 4.795695 
1 1 1   32    2    2 o  158.540   2.3906 -3.612961 4.781223 
1 1 1   32    2    3 o  102.902   3.0060 -2.927330 6.011912 
1 1 1   32    2    4 o  147.411   2.3252 -3.159058 4.650366 
1 1 1   32    2    5 o   65.000   4.8085 2.189548 9.616919 
1 1 1   32    2    6 o   37.914   7.7650 -11.33679 15.53004 
1 1 1   32    2    7 o   79.566   4.0359 -1.867012 8.071724 
1 1 1   32    2    8 o  121.075   3.1025 -2.466164 6.205016 
1 1 1   32    2    9 o   72.473   4.6129 12.30433 9.225867 
1 1 1   32    2   10 o  117.176   3.2321 3.009392 6.464294 
1 1 1   32    2   11 o  109.534   3.3208 -3.788269 6.641668 
1 1 1   32    2   12 o   57.963   6.0199 -1.306049 12.03987 
1 1 1   32    2   13 o   76.898   4.6994 0.2204819 9.398876 
1 1 1   32    2   14 o  107.361   3.5170 -2.670830 7.034034 
1 1 1   32    2   15 o  186.495   2.4039 -3.565109 4.807821 
1 1 1   32    2   16 o   80.119   5.0128 -3.097809 10.02552 
1 1 1   32    2   17 x  ?   ?       ?      ? 
1 1 1   32    3    0 o  248.882   2.6766 0.000000 0.000000 
1 1 1   32    3    1 o  213.730   2.1382 6.557495 4.276452 
1 1 1   32    3    2 o  127.259   2.8165 10.66206 5.632951 
1 1 1   32    3    3 o   53.688   5.9221 6.320370 11.84410 
1 1 1   32    3    4 o  136.417   2.5146 1.250290 5.029276 
1 1 1   32    3    5 o  161.772   2.2287 -3.347549 4.457455 
1 1 1   32    3    6 o   61.665   5.5683 -0.6333771 11.13667 
1 1 1   32    3    7 o   77.144   4.1770 -4.030678 8.354084 
1 1 1   32    3    8 o   59.329   6.1214 -20.41320 12.24271 
1 1 1   32    3    9 o   37.507   7.9769 5.146515 15.95384 
1 1 1   32    3   10 o   99.869   3.4740 -3.654205 6.947996 
1 1 1   32    3   11 f  183.926   2.2071 1.192276 4.414228 
1 1 1   32    3   12 f   96.636   4.0508 2.816231 8.101525 
1 1 1   32    3   13 o   64.968   5.5049 1.295639 11.00988 
1 1 1   32    3   14 o  140.623   2.8147 13.03514 5.629413 
1 1 1   32    3   15 f  141.462   2.8923 2.262421 5.784596 
1 1 1   32    3   16 o   74.903   6.1733 -17.63864 12.34662 
1 1 1   32    4    0 o  241.036   2.6310 0.000000 0.000000 
1 1 1   32    4    1 o  146.344   2.2781 4.801071 4.556205 
1 1 1   32    4    2 o   91.799   3.3822 -0.8539581E-01 6.764388 
1 1 1   32    4    3 o   67.148   4.8170 -3.082367 9.634046 
1 1 1   32    4    4 o   49.160   6.4592 3.799038 12.91834 
1 1 1   32    4    5 o  108.233   3.2313 -13.42046 6.462620 
1 1 1   32    4    6 o  130.698   2.5378 7.928993 5.075587 
1 1 1   32    4    7 o  102.382   3.2553 -9.347145 6.510689 
1 1 1   32    4    8 o   63.213   5.2346 6.375450 10.46923 
1 1 1   32    4    9 o  189.850   2.0964 1.298645 4.192839 
1 1 1   32    4   10 o   35.822   8.1671 -11.34602 16.33423 
1 1 1   32    4   11 o  124.788   2.9428 -8.621094 5.885545 
1 1 1   32    4   12 o   36.819   7.9706 15.18190 15.94128 
1 1 1   32    4   13 o   88.446   4.2376 6.619865 8.475207 
1 1 1   32    4   14 o  149.008   2.7043 -3.932343 5.408551 
1 1 1   32    4   15 o   25.336   7.8960 2.619869 15.79200 
1 1 1   32    4   16 o  100.363   4.9252 10.63143 9.850449 
1 1 1   32    5    0 o   30.836   10.487 0.000000 0.000000 
1 1 1   32    5    1 o   74.138   4.6045 -5.483078 9.208900 
1 1 1   32    5    2 o   58.399   5.2095 8.057304 10.41910 
1 1 1   32    5    3 o   47.804   6.5733 -10.85948 13.14663 
1 1 1   32    5    4 o   61.753   5.1866 9.853973 10.37325 
1 1 1   32    5    5 o  166.453   2.2598 -1.469452 4.519592 
1 1 1   32    5    6 o   81.525   3.9282 -2.514946 7.856436 
1 1 1   32    5    7 o  120.406   2.8621 3.017387 5.724203 
1 1 1   32    5    8 o   99.553   3.3206 2.965233 6.641289 
1 1 1   32    5    9 o  154.322   2.3764 5.454132 4.752847 
1 1 1   32    5   10 o  154.881   2.4598 -5.250153 4.919536 
1 1 1   32    5   11 o  102.768   3.4868 -11.24168 6.973554 
1 1 1   32    5   12 o   88.503   4.0347 -13.52466 8.069351 
1 1 1   32    5   13 o   49.877   7.5564 -3.561901 15.11284 
1 1 1   32    5   14 f  171.760   3.0072 -6.496567 6.014442 
1 1 1   32    5   15 o   34.600   8.9113 -1.557571 17.82256 
1 1 1   32    5   16 o   75.066   5.7271 -18.43212 11.45422 
1 1 1   32    6    0 o  112.828   4.0137 0.000000 0.000000 
1 1 1   32    6    1 f   56.745   5.8793 -12.21990 11.75854 
1 1 1   32    6    2 o  105.001   2.9998 12.20069 5.999512 
1 1 1   32    6    3 o   84.254   3.7023 -1.738823 7.404584 
1 1 1   32    6    4 o   53.905   5.8867 -13.52793 11.77334 
1 1 1   32    6    5 o   60.446   5.1717 4.256855 10.34343 
1 1 1   32    6    6 o  208.878   2.0057 3.268814 4.011491 
1 1 1   32    6    7 o  144.911   2.5810 9.379181 5.161946 
1 1 1   32    6    8 o   53.316   6.5369 -12.27602 13.07385 
1 1 1   32    6    9 o   50.693   6.7776 8.211628 13.55526 
1 1 1   32    6   10 o  139.385   2.6557 2.293716 5.311374 
1 1 1   32    6   11 o  119.044   3.2464 1.588501 6.492789 
1 1 1   32    6   12 o   92.924   3.9726 -15.28176 7.945249 
1 1 1   32    6   13 o  149.623   2.6734 4.103531 5.346892 
1 1 1   32    6   14 o   48.251   7.9265 18.24362 15.85299 
1 1 1   32    6   15 o  109.797   4.3653 -22.02331 8.730619 
1 1 1   32    7    0 o   56.605   8.9046 0.000000 0.000000 
1 1 1   32    7    1 o   84.415   3.7681 -9.067528 7.536241 
1 1 1   32    7    2 o  220.766   1.9001 3.439026 3.800199 
1 1 1   32    7    3 o   89.573   3.8680 -6.024612 7.735931 
1 1 1   32    7    4 o  118.810   2.7594 1.794495 5.518789 
1 1 1   32    7    5 o  190.137   2.2047 5.703217 4.409438 
1 1 1   32    7    6 o   60.279   5.3019 6.335056 10.60373 
1 1 1   32    7    7 o   72.959   4.5518 10.42093 9.103584 
1 1 1   32    7    8 o  250.761   1.9816 1.894775 3.963125 
1 1 1   32    7    9 o   81.927   4.4798 1.326736 8.959567 
1 1 1   32    7   10 o  150.996   2.4419 -1.978363 4.883753 
1 1 1   32    7   11 o  118.095   3.1365 4.236610 6.272944 
1 1 1   32    7   12 o  127.115   3.0378 3.703583 6.075523 
1 1 1   32    7   13 o  100.696   3.7633 -9.326752 7.526565 
1 1 1   32    7   14 o  117.435   3.9359 8.579483 7.871726 
1 1 1   32    7   15 o  191.885   5.6222      ?      ? 
1 1 1   32    8    0 o  154.718   3.1430 0.000000 0.000000 
1 1 1   32    8    1 o   71.675   4.2820 2.621895 8.563921 
1 1 1   32    8    2 o  136.583   2.4105 2.176331 4.820935 
1 1 1   32    8    3 o  183.986   2.0172 1.360855 4.034415 
1 1 1   32    8    4 o  108.733   3.0467 3.183601 6.093336 
1 1 1   32    8    5 o   49.737   7.2506 -14.64323 14.50120 
1 1 1   32    8    6 o  173.857   2.1487 -3.675369 4.297331 
1 1 1   32    8    7 o  108.991   3.1640 6.235489 6.328073 
1 1 1   32    8    8 o   55.913   6.1686 15.06543 12.33728 
1 1 1   32    8    9 o  175.001   2.2522 -12.51952 4.504394 
1 1 1   32    8   10 o  110.238   3.2644 3.321701 6.528851 
1 1 1   32    8   11 o   91.125   4.1964 -4.257332 8.392765 
1 1 1   32    8   12 o   36.071   8.4942 -11.68446 16.98839 
1 1 1   32    8   13 o  146.212   3.1451 -12.27797 6.290157 
1 1 1   32    8   14 o  248.748   3.0078 -0.5255890 6.015693 
1 1 1   32    8   15 x  ?   ?       ?      ? 
1 1 1   32    9    0 o   28.873   10.996 0.000000 0.000000 
1 1 1   32    9    1 o  174.822   2.1109 -0.7442932 4.221836 
1 1 1   32    9    2 o   31.777   7.9350 5.895681 15.86999 
1 1 1   32    9    3 o   37.336   7.7532 -12.83043 15.50638 
1 1 1   32    9    4 o   90.218   3.6491 5.617554 7.298172 
1 1 1   32    9    5 o  187.173   2.0351 -1.770050 4.070201 
1 1 1   32    9    6 o   63.586   5.3036 -0.3692551 10.60722 
1 1 1   32    9    7 o  152.414   2.5732 -0.9917450 5.146368 
1 1 1   32    9    8 o  103.255   3.3169 3.960808 6.633722 
1 1 1   32    9    9 o   32.166   8.3283 -0.8193245 16.65651 
1 1 1   32    9   10 o  155.789   2.4821 -2.382904 4.964238 
1 1 1   32    9   11 o  144.857   2.6663 -1.837112 5.332627 
1 1 1   32    9   12 o   44.649   8.5729 4.501476 17.14572 
1 1 1   32    9   13 o  134.093   3.5335 -10.25369 7.067084 
1 1 1   32    9   14 o   20.255   6.8751 -8.435831 13.75014 
1 1 1   32   10    0 o  100.647   4.7622 0.000000 0.000000 
1 1 1   32   10    1 o   73.186   4.4416 2.223312 8.883290 
1 1 1   32   10    2 o  114.674   2.9134 -1.364471 5.826703 
1 1 1   32   10    3 o   87.823   3.6284 2.006622 7.256754 
1 1 1   32   10    4 o  155.588   2.2762 1.540619 4.552490 
1 1 1   32   10    5 o  157.331   2.3631 -4.043549 4.726132 
1 1 1   32   10    6 o   69.512   4.7590 -0.8781204 9.517951 
1 1 1   32   10    7 o   31.818   7.9797 -19.39190 15.95936 
1 1 1   32   10    8 o   66.454   5.2815 4.220314 10.56296 
1 1 1   32   10    9 o  236.007   2.1673 3.483719 4.334601 
1 1 1   32   10   10 o  172.679   2.3638 -3.938965 4.727658 
1 1 1   32   10   11 o   40.967   7.9040 22.33223 15.80794 
1 1 1   32   10   12 o   40.160   8.8255 -7.039120 17.65109 
1 1 1   32   10   13 f   74.986   5.3311 -14.50235 10.66219 
1 1 1   32   11    0 o  114.680   4.0690 0.000000 0.000000 
1 1 1   32   11    1 o   88.250   3.7168 10.29305 7.433549 
1 1 1   32   11    2 f  126.710   2.6615 -1.971291 5.322997 
1 1 1   32   11    3 o  107.614   3.1194 3.502663 6.238848 
1 1 1   32   11    4 o  102.978   3.2575 4.115532 6.514930 
1 1 1   32   11    5 o  130.315   2.7158 -3.839142 5.431690 
1 1 1   32   11    6 f  108.012   3.2649 7.170525 6.529882 
1 1 1   32   11    7 o   95.185   3.6062 8.910698 7.212337 
1 1 1   32   11    8 o  137.658   2.7161 6.319687 5.432203 
1 1 1   32   11    9 o  138.572   2.7495 0.9497833 5.498903 
1 1 1   32   11   10 o   51.364   7.5835 -17.17791 15.16697 
1 1 1   32   11   11 o   22.540   7.3445 9.585291 14.68893 
1 1 1   32   11   12 o  198.166   3.4406 -16.93033 6.881147 
1 1 1   32   12    0 o   21.899   9.7949 0.000000 0.000000 
1 1 1   32   12    1 o   39.759   7.8224 10.60975 15.64479 
1 1 1   32   12    2 o   90.983   3.7282 -11.60841 7.456407 
1 1 1   32   12    3 o   49.366   6.8822 -1.331276 13.76441 
1 1 1   32   12    4 o  118.802   2.9579 -0.5846176 5.915719 
1 1 1   32   12    5 f  125.946   2.7952 -4.279449 5.590440 
1 1 1   32   12    6 o   86.786   4.0196 7.569359 8.039237 
1 1 1   32   12    7 o  137.270   2.7486 5.480469 5.497199 
1 1 1   32   12    8 o   87.292   4.3048 -4.859802 8.609540 
1 1 1   32   12    9 o  110.923   3.4708 -2.779411 6.941633 
1 1 1   32   12   10 o  119.499   3.4809 -3.432808 6.961830 
1 1 1   32   12   11 f  140.288   3.7731 -17.61566 7.546199 
1 1 1   32   13    0 o   87.213   5.6102 0.000000 0.000000 
1 1 1   32   13    1 o   72.765   4.6561 7.784012 9.312256 
1 1 1   32   13    2 o   34.013   8.2603 -3.027061 16.52056 
1 1 1   32   13    3 o   82.728   4.1708 0.7777939 8.341658 
1 1 1   32   13    4 o  133.488   2.6955 2.172485 5.390971 
1 1 1   32   13    5 o   74.004   4.7433 1.212097 9.486576 
1 1 1   32   13    6 o  109.887   3.2400 -0.7268372 6.479937 
1 1 1   32   13    7 o   27.860   8.1081 1.116610 16.21626 
1 1 1   32   13    8 o   67.060   5.8065 13.31852 11.61296 
1 1 1   32   13    9 o   23.969   7.4388 17.90607 14.87766 
1 1 1   32   13   10 o   76.220   5.6459 6.166008 11.29189 
1 1 1   32   14    0 o   76.635   6.9281 0.000000 0.000000 
1 1 1   32   14    1 o   41.438   8.2207 5.708618 16.44130 
1 1 1   32   14    2 o   51.673   7.0957 -21.89947 14.19139 
1 1 1   32   14    3 o   66.922   5.4403 2.532860 10.88051 
1 1 1   32   14    4 f   57.235   6.7288 -14.41227 13.45760 
1 1 1   32   14    5 f  156.884   2.5879 9.102173 5.175889 
1 1 1   32   14    6 o  103.766   3.8388 10.01257 7.677511 
1 1 1   32   14    7 o   45.297   8.3295 9.335232 16.65908 
1 1 1   32   14    8 o   56.163   7.2345 -3.226288 14.46903 
1 1 1   32   14    9 f   30.401   8.9882 -0.6730251 17.97632 
1 1 1   32   15    0 o   89.771   6.3977 0.000000 0.000000 
1 1 1   32   15    1 o   94.585   4.4322 1.365906 8.864343 
1 1 1   32   15    2 o   32.224   8.1282 -19.49729 16.25642 
1 1 1   32   15    3 o  201.410   2.9890 -15.77089 5.978038 
1 1 1   32   15    4 o   36.427   9.0247 -4.703209 18.04945 
1 1 1   32   15    5 o   45.503   8.8161 12.28608 17.63230 
1 1 1   32   15    6 o   99.674   5.7335 27.51527 11.46709 
1 1 1   32   15    7 o   18.974   6.6862 -1.788172 13.37248 
1 1 1   32   16    0 o   99.234   6.1504 0.000000 0.000000 
1 1 1   32   16    1 o   65.678   7.4983 1.839043 14.99657 
1 1 1   32   16    2 o  100.544   4.4222 -8.370583 8.844431 
1 1 1   32   16    3 o   29.647   8.7326 -0.8208370 17.46524 
1 1 1   32   16    4 o   17.825   6.2739 -5.026192 12.54784 
1 1 1   33    0    1 o   22.050   9.8673 0.000000 0.000000 
1 1 1   33    0    2 o   56.325   9.1135 0.000000 0.000000 
1 1 1   33    0    3 o   21.628   9.7830 0.000000 0.000000 
1 1 1   33    0    4 o  146.183   3.4600 0.000000 0.000000 
1 1 1   33    0    5 o  109.775   4.3223 0.000000 0.000000 
1 1 1   33    0    6 o   57.549   9.7520 0.000000 0.000000 
1 1 1   33    0    7 o  158.923   3.3597 0.000000 0.000000 
1 1 1   33    0    8 o   29.076   11.431 0.000000 0.000000 
1 1 1   33    0    9 o   29.024   11.309 0.000000 0.000000 
1 1 1   33    0   10 o   76.992   6.8322 0.000000 0.000000 
1 1 1   33    0   11 o   93.604   5.5942 0.000000 0.000000 
1 1 1   33    0   12 o   90.514   6.3659 0.000000 0.000000 
1 1 1   33    0   13 o  106.221   6.2453 0.000000 0.000000 
1 1 1   33    0   14 o  107.342   7.6175 0.000000 0.000000 
1 1 1   33    1    0 o   17.750   8.5169 0.000000 0.000000 
1 1 1   33    1    1 o   47.294   6.8968 -11.53593 13.79367 
1 1 1   33    1    2 o  143.917   2.3492 -1.046478 4.698302 
1 1 1   33    1    3 o   84.038   3.8928 -6.632072 7.785594 
1 1 1   33    1    4 o  197.164   2.0316 -2.814484 4.063168 
1 1 1   33    1    5 o  190.794   2.2822 0.9736633E-01 4.564396 
1 1 1   33    1    6 o  133.546   2.6963 1.156097 5.392525 
1 1 1   33    1    7 o  102.748   3.3025 1.935310 6.604951 
1 1 1   33    1    8 o   85.972   4.0072 3.550644 8.014444 
1 1 1   33    1    9 o  180.967   2.1959 -1.613571 4.391835 
1 1 1   33    1   10 o  170.790   2.5858 2.481842 5.171602 
1 1 1   33    1   11 o   85.284   4.3628 -1.082924 8.725657 
1 1 1   33    1   12 o  200.813   2.9767 -6.384918 5.953371 
1 1 1   33    1   13 o   73.888   5.4222 1.838669 10.84439 
1 1 1   33    1   14 o  131.030   4.4932 -0.9329376 8.986471 
1 1 1   33    2    0 o  167.151   2.9828 0.000000 0.000000 
1 1 1   33    2    1 o   71.409   4.5813 -7.564270 9.162650 
1 1 1   33    2    2 o   40.601   7.5223 -12.16409 15.04457 
1 1 1   33    2    3 o  178.156   2.3232 7.104553 4.646424 
1 1 1   33    2    4 o   98.434   3.3488 9.507484 6.697539 
1 1 1   33    2    5 o   29.360   7.8574 5.482376 15.71473 
1 1 1   33    2    6 f   23.570   7.3182 -2.590794 14.63634 
1 1 1   33    2    7 o   29.116   7.7562 10.30707 15.51233 
1 1 1   33    2    8 o  154.957   2.4218 1.075455 4.843535 
1 1 1   33    2    9 o  111.378   3.2162 -8.974770 6.432333 
1 1 1   33    2   10 o   45.884   7.7627 -16.18687 15.52542 
1 1 1   33    2   11 o  148.109   2.7853 -1.519974 5.570658 
1 1 1   33    2   12 o  192.643   2.8125 -3.195038 5.625059 
1 1 1   33    2   13 o  135.750   3.5772 19.17056 7.154420 
1 1 1   33    2   14 o   67.891   7.4240 5.139008 14.84791 
1 1 1   33    3    0 o   48.445   10.326 0.000000 0.000000 
1 1 1   33    3    1 o  140.104   2.7052 4.078125 5.410341 
1 1 1   33    3    2 o  101.109   3.1218 -1.615540 6.243610 
1 1 1   33    3    3 o  121.775   2.7911 -10.30197 5.582119 
1 1 1   33    3    4 o  154.581   2.2979 -1.928802 4.595741 
1 1 1   33    3    5 o   90.988   3.6452 3.754440 7.290399 
1 1 1   33    3    6 o  125.207   2.7882 -4.590462 5.576488 
1 1 1   33    3    7 o  139.288   2.5478 2.625458 5.095524 
1 1 1   33    3    8 o  126.224   2.9032 -3.142540 5.806433 
1 1 1   33    3    9 o  173.933   2.2776 1.713654 4.555168 
1 1 1   33    3   10 o  171.753   2.3680 0.8268127 4.736063 
1 1 1   33    3   11 o   56.772   6.9659 -1.977097 13.93184 
1 1 1   33    3   12 o  178.748   2.5767 3.812851 5.153420 
1 1 1   33    3   13 o  169.858   3.3885 -3.519989 6.777093 
1 1 1   33    3   14 x  ?   ?       ?      ? 
1 1 1   33    4    0 o  182.679   2.8668 0.000000 0.000000 
1 1 1   33    4    1 o  137.682   2.6664 5.545853 5.332798 
1 1 1   33    4    2 o   38.553   7.7055 -8.771507 15.41091 
1 1 1   33    4    3 o  119.916   2.8704 -4.547470 5.740795 
1 1 1   33    4    4 o   66.747   4.8561 -9.507195 9.712195 
1 1 1   33    4    5 o  191.314   2.2815 -0.5697327 4.562949 
1 1 1   33    4    6 o  122.087   2.8722 4.707794 5.744483 
1 1 1   33    4    7 o   63.674   5.2512 -2.626247 10.50248 
1 1 1   33    4    8 o  116.170   3.1203 8.743271 6.240535 
1 1 1   33    4    9 o   93.200   3.8369 1.047768 7.673841 
1 1 1   33    4   10 o  190.910   2.2619 -1.748856 4.523764 
1 1 1   33    4   11 o   23.658   7.4950 9.703314 14.99007 
1 1 1   33    4   12 f   91.319   4.5475 -5.968620 9.095057 
1 1 1   33    4   13 o   92.545   4.7210 -10.30227 9.442060 
1 1 1   33    5    0 o   85.446   5.5371 0.000000 0.000000 
1 1 1   33    5    1 o   74.099   4.2760 6.010498 8.552052 
1 1 1   33    5    2 o  161.045   2.2258 -3.363983 4.451532 
1 1 1   33    5    3 o   51.396   7.5042 1.963524 15.00843 
1 1 1   33    5    4 f  151.712   2.3466 -4.832031 4.693187 
1 1 1   33    5    5 o   93.559   3.6470 -4.339951 7.294085 
1 1 1   33    5    6 o  140.602   2.4878 2.069000 4.975577 
1 1 1   33    5    7 o   59.584   6.2260 -26.76117 12.45208 
1 1 1   33    5    8 o  104.413   3.3467 1.382385 6.693474 
1 1 1   33    5    9 o  153.203   2.4986 4.490005 4.997202 
1 1 1   33    5   10 o   82.822   4.6162 -1.307121 9.232389 
1 1 1   33    5   11 o   45.395   8.2316 14.39956 16.46317 
1 1 1   33    5   12 x  ?   ?       ?      ? 
1 1 1   33    5   13 o   31.263   8.7045 9.456686 17.40894 
1 1 1   33    6    0 o  243.962   2.7339 0.000000 0.000000 
1 1 1   33    6    1 o  113.444   3.1369 1.011086 6.273839 
1 1 1   33    6    2 o   69.963   4.6548 -0.3227234 9.309523 
1 1 1   33    6    3 o   54.994   6.1074 -14.23705 12.21490 
1 1 1   33    6    4 o  122.678   2.8241 2.220970 5.648262 
1 1 1   33    6    5 o  119.136   3.0846 -0.4936295 6.169256 
1 1 1   33    6    6 o   55.924   6.2709 8.559711 12.54181 
1 1 1   33    6    7 o  180.847   2.2143 0.1663818 4.428673 
1 1 1   33    6    8 o   92.203   3.9026 7.226799 7.805164 
1 1 1   33    6    9 o   96.125   3.7752 5.233925 7.550360 
1 1 1   33    6   10 o   98.420   3.8943 -0.8638535 7.788649 
1 1 1   33    6   11 o  100.155   3.9362 -5.013367 7.872371 
1 1 1   33    6   12 o  144.386   3.0471 -9.729446 6.094301 
1 1 1   33    6   13 x  ?   ?       ?      ? 
1 1 1   33    7    0 o   97.578   4.7205 0.000000 0.000000 
1 1 1   33    7    1 f  183.439   2.2427 -4.390182 4.485321 
1 1 1   33    7    2 o   87.768   3.6444 -0.3508606 7.288827 
1 1 1   33    7    3 o   58.899   5.5177 -8.681911 11.03543 
1 1 1   33    7    4 o   84.586   3.8448 -7.227577 7.689633 
1 1 1   33    7    5 o  163.960   2.2297 3.451294 4.459351 
1 1 1   33    7    6 o  118.124   3.0103 4.781555 6.020697 
1 1 1   33    7    7 o  109.644   3.4846 2.309601 6.969227 
1 1 1   33    7    8 o   38.463   7.3007 -28.61197 14.60149 
1 1 1   33    7    9 o   31.680   8.2428 10.45435 16.48553 
1 1 1   33    7   10 o   66.862   6.1368 -16.67678 12.27353 
1 1 1   33    7   11 o  161.152   3.0061 -22.89011 6.012102 
1 1 1   33    7   12 o   51.232   9.0831 19.58596 18.16621 
1 1 1   33    8    0 o  109.188   4.5241 0.000000 0.000000 
1 1 1   33    8    1 f   54.864   6.4248 -25.49808 12.84953 
1 1 1   33    8    2 o   50.622   6.7921 -12.50937 13.58415 
1 1 1   33    8    3 o  173.741   2.3614 -1.599457 4.722739 
1 1 1   33    8    4 o   72.802   4.6254 7.594910 9.250764 
1 1 1   33    8    5 o   64.176   5.5008 -17.84299 11.00159 
1 1 1   33    8    6 o  117.070   2.9775 1.503677 5.955008 
1 1 1   33    8    7 o   52.465   6.8945 7.931370 13.78906 
1 1 1   33    8    8 o  103.818   3.5636 4.729042 7.127269 
1 1 1   33    8    9 o   33.539   9.0628 0.2033234 18.12560 
1 1 1   33    8   10 o  170.069   3.2388 -22.23938 6.477612 
1 1 1   33    8   11 o   69.559   6.0884 -9.877777 12.17689 
1 1 1   33    9    0 o  179.380   3.0080 0.000000 0.000000 
1 1 1   33    9    1 o   89.624   3.6984 3.471405 7.396770 
1 1 1   33    9    2 o  126.510   2.7224 1.926895 5.444758 
1 1 1   33    9    3 o   44.998   7.2231 19.49306 14.44613 
1 1 1   33    9    4 o  168.141   2.2992 -4.575272 4.598419 
1 1 1   33    9    5 o  199.652   2.2536 0.3167572 4.507238 
1 1 1   33    9    6 o   58.391   6.3713 13.18069 12.74266 
1 1 1   33    9    7 o  117.801   3.1985 -11.72272 6.397071 
1 1 1   33    9    8 o  104.110   3.6400 2.553703 7.280017 
1 1 1   33    9    9 f   77.226   5.2441 14.99935 10.48823 
1 1 1   33    9   10 o   74.938   5.6559 -5.079224 11.31179 
1 1 1   33    9   11 o   22.725   7.7526 -10.40987 15.50528 
1 1 1   33   10    0 o  243.596   2.8289 0.000000 0.000000 
1 1 1   33   10    1 o   88.775   4.0161 7.157433 8.032256 
1 1 1   33   10    2 o  150.142   2.5216 -1.034058 5.043290 
1 1 1   33   10    3 o   93.145   3.8406 -11.08896 7.681194 
1 1 1   33   10    4 o  154.152   2.4788 2.498215 4.957631 
1 1 1   33   10    5 o   19.199   6.5078 3.317352 13.01561 
1 1 1   33   10    6 o   30.882   8.1527 -13.49182 16.30534 
1 1 1   33   10    7 o  157.774   3.1358 -11.84076 6.271529 
1 1 1   33   10    8 o   44.563   8.4756 -16.73041 16.95114 
1 1 1   33   10    9 o   54.957   7.5267 14.75220 15.05348 
1 1 1   33   10   10 o   69.312   8.2298 -5.389023 16.45963 
1 1 1   33   11    0 o   29.518   11.552 0.000000 0.000000 
1 1 1   33   11    1 o   46.204   7.6693 -10.85424 15.33866 
1 1 1   33   11    2 f  121.878   3.0300 12.01981 6.059959 
1 1 1   33   11    3 o  142.164   2.7022 7.447540 5.404465 
1 1 1   33   11    4 f   70.513   5.4596 11.44659 10.91916 
1 1 1   33   11    5 o   88.081   4.5589 11.84727 9.117881 
1 1 1   33   11    6 o  166.499   2.8410 -13.55318 5.682021 
1 1 1   33   11    7 o  136.479   3.1769 3.639221 6.353714 
1 1 1   33   11    8 f   26.336   8.0156 -12.69792 16.03125 
1 1 1   33   11    9 x  ?   ?       ?      ? 
1 1 1   33   12    0 o   31.531   12.106 0.000000 0.000000 
1 1 1   33   12    1 o   30.800   8.3027 9.451212 16.60537 
1 1 1   33   12    2 f   62.537   6.5457 -20.49763 13.09132 
1 1 1   33   12    3 o  137.197   3.0215 3.882889 6.043083 
1 1 1   33   12    4 o  203.977   2.6579 -13.96620 5.315760 
1 1 1   33   12    5 o   42.029   8.7065 13.18869 17.41308 
1 1 1   33   12    6 o  133.061   3.3584 -0.5086975 6.716864 
1 1 1   33   12    7 o   62.167   6.8107 -2.336899 13.62139 
1 1 1   33   13    0 o   30.461   12.121 0.000000 0.000000 
1 1 1   33   13    1 o  146.650   3.0119 5.194183 6.023863 
1 1 1   33   13    2 o   88.348   5.4788 -25.33942 10.95768 
1 1 1   33   13    3 o   69.347   6.0360 -8.853676 12.07198 
1 1 1   33   13    4 o  118.517   3.5949 1.548653 7.189878 
1 1 1   33   13    5 x  ?   ?       ?      ? 
1 1 1   33   14    0 o   21.398   9.8855 0.000000 0.000000 
1 1 1   33   14    1 x  ?   ?       ?      ? 
1 1 1   34    0    0 o  237.134   3.9450 0.000000 0.000000 
1 1 1   34    0    1 o   45.646   11.146 0.000000 0.000000 
1 1 1   34    0    2 o  125.016   3.9835 0.000000 0.000000 
1 1 1   34    0    3 o  205.799   2.9400 0.000000 0.000000 
1 1 1   34    0    4 o   85.999   5.9879 0.000000 0.000000 
1 1 1   34    0    5 o  103.846   4.9211 0.000000 0.000000 
1 1 1   34    0    6 o   32.364   12.171 0.000000 0.000000 
1 1 1   34    0    7 o   61.355   10.111 0.000000 0.000000 
1 1 1   34    0    8 o   32.773   11.383 0.000000 0.000000 
1 1 1   34    0    9 o   28.884   12.304 0.000000 0.000000 
1 1 1   34    0   10 o   32.524   11.927 0.000000 0.000000 
1 1 1   34    0   11 x  ?   ?       ?      ? 
1 1 1   34    1    0 o   25.966   10.265 0.000000 0.000000 
1 1 1   34    1    1 f  113.487   3.0314 -2.006989 6.062819 
1 1 1   34    1    2 o  146.694   2.5066 -5.980743 5.013237 
1 1 1   34    1    3 o  140.195   2.6224 4.898499 5.244898 
1 1 1   34    1    4 o   55.290   6.5160 -8.626301 13.03208 
1 1 1   34    1    5 o   40.779   8.1932 8.708290 16.38643 
1 1 1   34    1    6 o   53.057   7.1968 15.56773 14.39352 
1 1 1   34    1    7 o   76.655   5.3073 3.792542 10.61458 
1 1 1   34    1    8 o  193.059   2.9147 -4.333237 5.829337 
1 1 1   34    1    9 o   42.277   8.0670 -29.83229 16.13403 
1 1 1   34    1   10 o   81.742   5.3362 -8.456955 10.67232 
1 1 1   34    1   11 x  ?   ?       ?      ? 
1 1 1   34    2    0 o   49.004   10.970 0.000000 0.000000 
1 1 1   34    2    1 o   38.662   7.9735 -1.927715 15.94702 
1 1 1   34    2    2 o   37.174   8.2120 0.8632164 16.42394 
1 1 1   34    2    3 o  124.960   2.9063 -2.779701 5.812609 
1 1 1   34    2    4 o   99.429   3.6664 -12.39027 7.332824 
1 1 1   34    2    5 o  159.148   2.6799 1.375595 5.359713 
1 1 1   34    2    6 o  135.783   2.8415 4.556076 5.683052 
1 1 1   34    2    7 o   45.683   8.2283 0.3799744 16.45669 
1 1 1   34    2    8 o   30.057   8.5014 -0.6527996 17.00281 
1 1 1   34    2    9 o   77.122   5.4819 14.54729 10.96371 
1 1 1   34    2   10 o   91.834   4.7459 -8.685257 9.491758 
1 1 1   34    3    0 o   74.315   6.8492 0.000000 0.000000 
1 1 1   34    3    1 o   38.197   8.0353 5.175457 16.07051 
1 1 1   34    3    2 o  113.760   3.1566 -0.6833649E-01 6.313200 
1 1 1   34    3    3 o  133.565   2.8989 -1.006485 5.797831 
1 1 1   34    3    4 o  105.422   3.4275 -0.2380676 6.855097 
1 1 1   34    3    5 o  191.876   2.2171 -0.5719604 4.434122 
1 1 1   34    3    6 o  149.068   2.6363 0.6015320 5.272637 
1 1 1   34    3    7 o  124.770   3.1604 -1.433151 6.320769 
1 1 1   34    3    8 o   34.432   8.8145 -5.765392 17.62901 
1 1 1   34    3    9 o   75.519   5.8911 -2.417526 11.78215 
1 1 1   34    3   10 o   25.359   8.1425 -7.615559 16.28491 
1 1 1   34    4    0 o  116.104   4.3965 0.000000 0.000000 
1 1 1   34    4    1 o  100.015   3.6859 -4.639168 7.371889 
1 1 1   34    4    2 o   37.824   8.2983 2.265812 16.59662 
1 1 1   34    4    3 o   39.854   8.0642 8.654938 16.12844 
1 1 1   34    4    4 o   27.228   7.9616 -1.341547 15.92313 
1 1 1   34    4    5 o  235.028   2.0880 6.215668 4.176055 
1 1 1   34    4    6 o  141.646   2.8389 2.828918 5.677887 
1 1 1   34    4    7 o  210.001   2.9862 -1.700531 5.972339 
1 1 1   34    4    8 f  122.102   3.5386 6.447182 7.077296 
1 1 1   34    4    9 o   89.969   5.1536 -11.43131 10.30717 
1 1 1   34    4   10 o   19.751   6.8109 3.941275 13.62177 
1 1 1   34    5    0 o   18.911   9.0734 0.000000 0.000000 
1 1 1   34    5    1 o   93.511   3.7859 -1.123001 7.571834 
1 1 1   34    5    2 o   53.867   7.2954 -6.973572 14.59077 
1 1 1   34    5    3 o   45.245   7.7273 7.773224 15.45467 
1 1 1   34    5    4 f   70.111   5.2488 -4.933311 10.49751 
1 1 1   34    5    5 o   45.407   8.5042 7.390320 17.00847 
1 1 1   34    5    6 o  219.932   2.4071 -9.748398 4.814222 
1 1 1   34    5    7 f  135.664   3.5120 8.857849 7.023965 
1 1 1   34    5    8 o  148.342   2.9575 1.231613 5.914960 
1 1 1   34    5    9 o   62.899   8.0789 -39.28106 16.15783 
1 1 1   34    6    0 o   39.399   11.813 0.000000 0.000000 
1 1 1   34    6    1 o   85.700   4.3242 21.12854 8.648369 
1 1 1   34    6    2 o   83.787   4.2337 1.338173 8.467362 
1 1 1   34    6    3 o   24.262   7.6730 -9.744911 15.34595 
1 1 1   34    6    4 o   20.932   6.9563 2.171616 13.91250 
1 1 1   34    6    5 o   58.809   6.9271 -22.85346 13.85414 
1 1 1   34    6    6 o   94.497   4.3800 1.939247 8.760072 
1 1 1   34    6    7 o   86.034   4.8891 -0.6650696 9.778145 
1 1 1   34    6    8 o   85.129   5.6787 4.261986 11.35733 
1 1 1   34    6    9 o   16.789   6.0240 0.5654640 12.04807 
1 1 1   34    7    0 o  126.874   5.2779 0.000000 0.000000 
1 1 1   34    7    1 o   86.255   4.3377 -4.330002 8.675445 
1 1 1   34    7    2 o   92.986   3.9710 5.214401 7.941970 
1 1 1   34    7    3 o   39.801   8.7205 -0.1733017E-01 17.44093 
1 1 1   34    7    4 o   86.606   4.4794 2.854561 8.958837 
1 1 1   34    7    5 o  113.210   4.1174 -3.156067 8.234733 
1 1 1   34    7    6 o   67.150   6.3112 -0.7282486 12.62231 
1 1 1   34    7    7 o   61.893   7.1242 -17.40143 14.24846 
1 1 1   34    7    8 o   52.159   8.6920 18.18943 17.38392 
1 1 1   34    8    0 o   18.697   9.1123 0.000000 0.000000 
1 1 1   34    8    1 o   71.991   5.7413 -12.17930 11.48256 
1 1 1   34    8    2 o   24.391   7.6683 -7.550276 15.33668 
1 1 1   34    8    3 o   25.892   7.8949 8.120504 15.78985 
1 1 1   34    8    4 o   26.851   8.0158 -8.657564 16.03159 
1 1 1   34    8    5 o   44.952   8.7257 3.755451 17.45132 
1 1 1   34    8    6 o   31.899   8.0560 -20.13941 16.11191 
1 1 1   34    8    7 o   24.063   7.6871 4.937933 15.37412 
1 1 1   34    9    0 o   97.106   6.3190 0.000000 0.000000 
1 1 1   34    9    1 f   28.651   8.5006 7.806650 17.00117 
1 1 1   34    9    2 o  134.833   3.2727 -8.313980 6.545365 
1 1 1   34    9    3 o   55.672   7.6870 10.10387 15.37398 
1 1 1   34    9    4 o  184.473   2.9300 -12.53816 5.860039 
1 1 1   34    9    5 o   96.244   4.4356 -0.5629120 8.871161 
1 1 1   34    9    6 o   85.733   6.1439 -0.5934525 12.28780 
1 1 1   34   10    0 o   94.250   7.2321 0.000000 0.000000 
1 1 1   34   10    1 o  171.674   2.7641 7.672913 5.528134 
1 1 1   34   10    2 o  143.371   3.5945 7.874573 7.189071 
1 1 1   34   10    3 o  156.336   2.9779 7.515945 5.955748 
1 1 1   34   10    4 x  ?   ?       ?      ? 
1 1 1   35    0    1 o  134.543   4.8017 0.000000 0.000000 
1 1 1   35    0    2 o  139.742   5.7833 0.000000 0.000000 
1 1 1   35    0    3 o   28.919   12.213 0.000000 0.000000 
1 1 1   35    0    4 o   80.464   8.6982 0.000000 0.000000 
1 1 1   35    0    5 o   50.187   15.298 0.000000 0.000000 
1 1 1   35    1    0 o   66.275   10.913 0.000000 0.000000 
1 1 1   35    1    1 o  169.691   2.7553 0.4694672 5.510663 
1 1 1   35    1    2 o   50.279   9.2109 11.27985 18.42182 
1 1 1   35    1    3 o  104.591   4.3937 -7.150780 8.787471 
1 1 1   35    1    4 f  213.143   3.0356 -4.976669 6.071287 
1 1 1   35    1    5 o  144.075   4.3966 -9.267349 8.793261 
1 1 1   35    2    0 o   49.072   13.576 0.000000 0.000000 
1 1 1   35    2    1 o   40.649   10.175 -6.206051 20.35071 
1 1 1   35    2    2 o  177.860   2.9943 12.48116 5.988588 
1 1 1   35    2    3 o  149.283   3.3878 13.56441 6.775685 
1 1 1   35    2    4 o  139.625   3.2648 -1.859436 6.529501 
1 1 1   35    2    5 o   20.231   7.0227 0.9956093 14.04542 
1 1 1   35    3    0 o  118.550   5.7578 0.000000 0.000000 
1 1 1   35    3    1 o  205.845   2.9944 -0.3924866 5.988719 
1 1 1   35    3    2 o   97.904   4.6023 12.13656 9.204548 
1 1 1   35    3    3 o   40.240   9.0592 15.11377 18.11834 
1 1 1   35    3    4 o   46.119   8.3547 25.95932 16.70942 
1 1 1   35    4    0 o   85.231   7.4657 0.000000 0.000000 
1 1 1   35    4    1 o   62.114   8.6852 -16.46894 17.37048 
1 1 1   35    4    2 o  122.732   4.5329 -8.031937 9.065768 
1 1 1   35    4    3 o   96.754   4.6584 -4.609131 9.316727 
1 1 1   35    4    4 x  ?   ?       ?      ? 
1 1 1   35    5    0 o  136.199   6.2517 0.000000 0.000000 
1 1 1   35    5    1 o   20.415   6.9701 0.6035938 13.94030 
1 1 1   35    5    2 o   23.099   7.8033 5.919779 15.60660 
#END OF REFLECTIONS
